2cdd - Revision history

OCA: Replacing page with 'REMOVED: The PDB entry 2cdd was removed.'

2012-05-30T05:44:53Z

Replacing page with 'REMOVED: The PDB entry 2cdd was removed.'

← Older revision		Revision as of 05:44, 30 May 2012
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	~~[[Image~~:~~2cdd.png\|left\|200px]]~~		REMOVED: The PDB entry 2cdd was removed.

	~~<!--~~
	The ~~line below this paragraph, containing "STRUCTURE_2cdd", creates the "Structure Box" on the page.~~
	~~You may change the PDB parameter (which sets the PDB file loaded into the applet)~~
	~~or the SCENE parameter (which sets the initial scene displayed when the page is loaded),~~
	~~or leave the SCENE parameter empty for the default display.~~
	~~-->~~
	~~{{STRUCTURE_2cdd\|~~ PDB~~=2cdd \| SCENE= }}~~

	~~===HUMAN HSP90 WITH 4-(4-(2,3-DIHYDRO-BENZOL(1,4)DIOXIN-6-YL)-5-METHYL-1H-PYRAZOL-3-YL)-6-ETHYL-BENZENE-1,3-DIOL===~~


	~~<!--~~
	~~The line below this paragraph, {{ABSTRACT_PUBMED_16460658}}, adds the Publication Abstract to the page~~
	~~(as it appears on PubMed at http://www.pubmed.gov), where 16460658 is the PubMed ID number.~~
	~~-->~~
	~~{{ABSTRACT_PUBMED_16460658}}~~

	~~==About this Structure==~~
	[[2cdd~~]] is a 2 chain structure of [[Heat Shock Proteins]] with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]~~. ~~Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CDD OCA].~~

	~~==See Also==~~
	*[[Heat Shock Proteins]]

	~~==Reference==~~
	~~<ref group="xtra">PMID:16460658</ref><references group="xtra"/>~~
	~~[[Category: Homo sapiens]]~~
	~~[[Category: Barril, X.]]~~
	~~[[Category: Cheung, K M.]]~~
	~~[[Category: Drysdale, M J.]]~~
	~~[[Category: Dymock, B W.]]~~
	~~[[Category: Grant, K.]]~~
	~~[[Category: Howes, R.]]~~
	~~[[Category: James, K.]]~~
	~~[[Category: Matthews, T.]]~~
	~~[[Category: Mcdonald, E.]]~~
	~~[[Category: Northfield, C J.]]~~
	~~[[Category: Robertson, A G.]]~~
	~~[[Category: Surgenor, A.]]~~
	~~[[Category: Wayne, J.]]~~
	~~[[Category: Workman, P.]]~~
	~~[[Category: Wright, L.]]~~
	~~[[Category: Atp-binding]]~~
	~~[[Category: Atpase]]~~
	~~[[Category: Chaperone]]~~
	~~[[Category: Heat shock]]~~
	~~[[Category: Heat-shock protein complex]]~~
	~~[[Category: Hsp90]]~~
	~~[[Category: Nucleotide-binding]]~~
	~~[[Category: Phosphorylation]]~~
	~~[[Category: Pyrazole]]~~

OCA: Protected "2cdd" [edit=sysop:move=sysop]

2010-12-26T22:46:36Z

Protected "2cdd" [edit=sysop:move=sysop]

← Older revision	Revision as of 22:46, 26 December 2010
(No difference)

OCA at 22:46, 26 December 2010

2010-12-26T22:46:35Z

← Older revision		Revision as of 22:46, 26 December 2010
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	~~{{Seed}}~~
	[[Image:2cdd.png\|left\|200px]]		[[Image:2cdd.png\|left\|200px]]

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	==About this Structure==		==About this Structure==
	~~2CDD~~ is a 2 ~~chains~~ structure of ~~sequences~~ from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CDD OCA].		[[2cdd]] is a 2 chain structure of [[Heat Shock Proteins]] with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CDD OCA].

			==See Also==
			*[[Heat Shock Proteins]]

	==Reference==		==Reference==
Line 35:		Line 37:
	[[Category: Mcdonald, E.]]		[[Category: Mcdonald, E.]]
	[[Category: Northfield, C J.]]		[[Category: Northfield, C J.]]
	[[Category: Robertson, A.]]		[[Category: Robertson, A G.]]
	[[Category: Surgenor, A.]]		[[Category: Surgenor, A.]]
	[[Category: Wayne, J.]]		[[Category: Wayne, J.]]
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	[[Category: Chaperone]]		[[Category: Chaperone]]
	[[Category: Heat shock]]		[[Category: Heat shock]]
			[[Category: Heat-shock protein complex]]
	[[Category: Hsp90]]		[[Category: Hsp90]]
	[[Category: Nucleotide-binding]]		[[Category: Nucleotide-binding]]
	[[Category: Phosphorylation]]		[[Category: Phosphorylation]]
	[[Category: Pyrazole]]		[[Category: Pyrazole]]

	~~''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Feb 16 23:46:55 2009''~~

OCA at 21:46, 16 February 2009

2009-02-16T21:46:58Z

← Older revision		Revision as of 21:46, 16 February 2009
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	==About this Structure==		==About this Structure==
	2CDD is a ~~[[Single protein]]~~ structure of ~~sequence~~ from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CDD OCA].		2CDD is a 2 chains structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CDD OCA].

	==Reference==		==Reference==
	A fluorescence polarization assay for inhibitors of Hsp90., Howes R, Barril X, Dymock BW, Grant K, Northfield CJ, Robertson AG, Surgenor A, Wayne J, Wright L, James K, Matthews T, Cheung KM, McDonald E, Workman P, Drysdale MJ, Anal Biochem. 2006 Mar 15;350(2):202-13. Epub 2006 Jan 23. PMID:~~[http:~~//~~www.ncbi.nlm.nih.gov/pubmed/16460658 16460658]~~		<ref group="xtra">PMID:16460658</ref><references group="xtra"/>
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	~~[[Category: Single protein]]~~
	[[Category: Barril, X.]]		[[Category: Barril, X.]]
	[[Category: Cheung, K M.]]		[[Category: Cheung, K M.]]
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	[[Category: Pyrazole]]		[[Category: Pyrazole]]

	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon ~~Jul 28 04~~:06:~~04 2008~~''		''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Feb 16 23:46:55 2009''

OCA at 01:06, 28 July 2008

2008-07-28T01:06:07Z

← Older revision		Revision as of 01:06, 28 July 2008
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	[[Image:2cdd.~~gif~~\|left\|200px]]		{{Seed}}
			[[Image:2cdd.png\|left\|200px]]

	<!--		<!--
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	{{STRUCTURE_2cdd\| PDB=2cdd \| SCENE= }}		{{STRUCTURE_2cdd\| PDB=2cdd \| SCENE= }}

	~~'''~~HUMAN HSP90 WITH 4-(4-(2,3-DIHYDRO-BENZOL(1,4)DIOXIN-6-YL)-5-METHYL-1H-PYRAZOL-3-YL)-6-ETHYL-BENZENE-1,3-DIOL~~'''~~		===HUMAN HSP90 WITH 4-(4-(2,3-DIHYDRO-BENZOL(1,4)DIOXIN-6-YL)-5-METHYL-1H-PYRAZOL-3-YL)-6-ETHYL-BENZENE-1,3-DIOL===


	~~==Overview==~~		<!--
	~~Hsp90 encodes a ubiquitous molecular chaperone protein conserved among species which acts on multiple substrates~~, many of which are important cell-signaling proteins. Inhibition of Hsp90 function has been promoted as a mechanism to degrade client proteins involved in tumorigenesis and disease progression. Several assays to monitor inhibition of Hsp90 function currently exist but are limited in their use for a drug discovery campaign. Using data from the ~~crystal structure of an initial hit compound, we have developed a fluorescence polarization assay to monitor binding of compounds~~ to the ~~ATP-binding site of Hsp90~~. ~~This assay is very robust (Z' > 0~~.9) ~~and can detect affinity of compounds with IC50s to 40 nM~~. ~~We have used this assay in conjunction with cocrystal structures of small molecules to drive a structure~~-~~based design program aimed at the discovery and optimization of a novel class of potent Hsp90 inhibitors.~~		The line below this paragraph, {{ABSTRACT_PUBMED_16460658}}, adds the Publication Abstract to the page
			(as it appears on PubMed at http://www.pubmed.gov), where 16460658 is the PubMed ID number.
			-->
			{{ABSTRACT_PUBMED_16460658}}

	==About this Structure==		==About this Structure==
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	[[Category: Phosphorylation]]		[[Category: Phosphorylation]]
	[[Category: Pyrazole]]		[[Category: Pyrazole]]
	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Sat May 3 21~~:52:28 2008''
			''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 04:06:04 2008''

OCA at 18:52, 3 May 2008

2008-05-03T18:52:29Z

← Older revision		Revision as of 18:52, 3 May 2008
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	[[Image:2cdd.gif\|left\|200px]]		[[Image:2cdd.gif\|left\|200px]]

	{{Structure		<!--
	\|PDB~~= 2cdd \|SIZE=350\|CAPTION= <~~scene ~~name='initialview01'>2cdd</scene>~~, ~~resolution 1~~.~~90Å~~		The line below this paragraph, containing "STRUCTURE_2cdd", creates the "Structure Box" on the page.
	~~\|SITE= <scene name='pdbsite=AC1:Ct5+Binding+Site+For+Chain+B'>AC1</scene>~~		You may change the PDB parameter (which sets the PDB file loaded into the applet)
	~~\|LIGAND= <scene name='pdbligand=CT5:4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE~~-~~1,3~~-~~DIOL'>CT5</scene~~>		or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
	\|~~ACTIVITY~~=		or leave the SCENE parameter empty for the default display.
	\|~~GENE~~=		-->
	~~\|DOMAIN=~~		{{STRUCTURE_2cdd\| PDB=2cdd \| SCENE= }}
	~~\|RELATEDENTRY=~~
	\|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2cdd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cdd OCA], [http://www.ebi.ac.uk/pdbsum/2cdd PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2cdd RCSB]</span>
	}}

	'''HUMAN HSP90 WITH 4-(4-(2,3-DIHYDRO-BENZOL(1,4)DIOXIN-6-YL)-5-METHYL-1H-PYRAZOL-3-YL)-6-ETHYL-BENZENE-1,3-DIOL'''		'''HUMAN HSP90 WITH 4-(4-(2,3-DIHYDRO-BENZOL(1,4)DIOXIN-6-YL)-5-METHYL-1H-PYRAZOL-3-YL)-6-ETHYL-BENZENE-1,3-DIOL'''
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	[[Category: Workman, P.]]		[[Category: Workman, P.]]
	[[Category: Wright, L.]]		[[Category: Wright, L.]]
	[[Category: ~~atp~~-binding]]		[[Category: Atp-binding]]
	[[Category: ~~atpase~~]]		[[Category: Atpase]]
	[[Category: ~~chaperone~~]]		[[Category: Chaperone]]
	[[Category: ~~heat~~ shock]]		[[Category: Heat shock]]
	[[Category: ~~hsp90~~]]		[[Category: Hsp90]]
	[[Category: ~~nucleotide~~-binding]]		[[Category: Nucleotide-binding]]
	[[Category: ~~phosphorylation~~]]		[[Category: Phosphorylation]]
	[[Category: ~~pyrazole~~]]		[[Category: Pyrazole]]
			''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 21:52:28 2008''
	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Mon Mar 31 02~~:19:57 2008''

OCA at 23:19, 30 March 2008

2008-03-30T23:19:58Z

← Older revision		Revision as of 23:19, 30 March 2008
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	\|ACTIVITY=		\|ACTIVITY=
	\|GENE=		\|GENE=
			\|DOMAIN=
			\|RELATEDENTRY=
			\|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2cdd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2cdd OCA], [http://www.ebi.ac.uk/pdbsum/2cdd PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2cdd RCSB]</span>
	}}		}}

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	[[Category: Workman, P.]]		[[Category: Workman, P.]]
	[[Category: Wright, L.]]		[[Category: Wright, L.]]
	~~[[Category: CT5]]~~
	[[Category: atp-binding]]		[[Category: atp-binding]]
	[[Category: atpase]]		[[Category: atpase]]
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	[[Category: pyrazole]]		[[Category: pyrazole]]

	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Thu~~ Mar ~~20 16~~:14:01 2008''		''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:19:57 2008''

OCA at 14:14, 20 March 2008

2008-03-20T14:14:03Z

← Older revision		Revision as of 14:14, 20 March 2008
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	[[Image:2cdd.gif\|left\|200px]]~~<br /><applet load~~="2cdd~~" size~~="350~~" color~~=~~"white" frame~~=~~"true" align="right" spinBox="true"~~		[[Image:2cdd.gif\|left\|200px]]
	~~caption="~~2cdd, resolution 1.90Å" />
	'''HUMAN HSP90 WITH 4-(4-(2,3-DIHYDRO-BENZOL(1,4)DIOXIN-6-YL)-5-METHYL-1H-PYRAZOL-3-YL)-6-ETHYL-BENZENE-1,3-DIOL'''~~<br />~~		{{Structure
			\|PDB= 2cdd \|SIZE=350\|CAPTION= <scene name='initialview01'>2cdd</scene>, resolution 1.90Å
			\|SITE= <scene name='pdbsite=AC1:Ct5+Binding+Site+For+Chain+B'>AC1</scene>
			\|LIGAND= <scene name='pdbligand=CT5:4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL'>CT5</scene>
			\|ACTIVITY=
			\|GENE=
			}}

			'''HUMAN HSP90 WITH 4-(4-(2,3-DIHYDRO-BENZOL(1,4)DIOXIN-6-YL)-5-METHYL-1H-PYRAZOL-3-YL)-6-ETHYL-BENZENE-1,3-DIOL'''


	==Overview==		==Overview==
Line 7:		Line 16:

	==About this Structure==		==About this Structure==
	2CDD is a [~~http://en.wikipedia.org/wiki/Single_protein~~ Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] ~~with <scene name='pdbligand=CT5:'>CT5</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Known structural/functional Site: <scene name='pdbsite=AC1:Ct5+Binding+Site+For+Chain+B'>AC1</scene>~~. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CDD OCA].		2CDD is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CDD OCA].

	==Reference==		==Reference==
	A fluorescence polarization assay for inhibitors of Hsp90., Howes R, Barril X, Dymock BW, Grant K, Northfield CJ, Robertson AG, Surgenor A, Wayne J, Wright L, James K, Matthews T, Cheung KM, McDonald E, Workman P, Drysdale MJ, Anal Biochem. 2006 Mar 15;350(2):202-13. Epub 2006 Jan 23. PMID:[http://~~ispc~~.~~weizmann~~.ac.~~il/~~/~~pmbin~~/~~getpm?pmid=~~16460658 16460658]		A fluorescence polarization assay for inhibitors of Hsp90., Howes R, Barril X, Dymock BW, Grant K, Northfield CJ, Robertson AG, Surgenor A, Wayne J, Wright L, James K, Matthews T, Cheung KM, McDonald E, Workman P, Drysdale MJ, Anal Biochem. 2006 Mar 15;350(2):202-13. Epub 2006 Jan 23. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16460658 16460658]
	[[Category: Homo sapiens]]		[[Category: Homo sapiens]]
	[[Category: Single protein]]		[[Category: Single protein]]
Line 38:		Line 47:
	[[Category: pyrazole]]		[[Category: pyrazole]]

	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu ~~Feb 21~~ 16:47:29 2008''		''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:14:01 2008''

OCA at 14:47, 21 February 2008

2008-02-21T14:47:31Z

← Older revision		Revision as of 14:47, 21 February 2008
Line 4:		Line 4:

	==Overview==		==Overview==
	Hsp90 encodes a ubiquitous molecular chaperone protein conserved among, species which acts on multiple substrates, many of which are important, cell-signaling proteins. Inhibition of Hsp90 function has been promoted as, a mechanism to degrade client proteins involved in tumorigenesis and, disease progression. Several assays to monitor inhibition of Hsp90, function currently exist but are limited in their use for a drug discovery, campaign. Using data from the crystal structure of an initial hit, compound, we have developed a fluorescence polarization assay to monitor, binding of compounds to the ATP-binding site of Hsp90. This assay is very, robust (Z' > 0.9) and can detect affinity of compounds with IC50s to 40, nM. We have used this assay in conjunction with cocrystal structures of, small molecules to drive a structure-based design program aimed at the, discovery and optimization of a novel class of potent Hsp90 inhibitors.		Hsp90 encodes a ubiquitous molecular chaperone protein conserved among species which acts on multiple substrates, many of which are important cell-signaling proteins. Inhibition of Hsp90 function has been promoted as a mechanism to degrade client proteins involved in tumorigenesis and disease progression. Several assays to monitor inhibition of Hsp90 function currently exist but are limited in their use for a drug discovery campaign. Using data from the crystal structure of an initial hit compound, we have developed a fluorescence polarization assay to monitor binding of compounds to the ATP-binding site of Hsp90. This assay is very robust (Z' > 0.9) and can detect affinity of compounds with IC50s to 40 nM. We have used this assay in conjunction with cocrystal structures of small molecules to drive a structure-based design program aimed at the discovery and optimization of a novel class of potent Hsp90 inhibitors.

	==About this Structure==		==About this Structure==
Line 14:		Line 14:
	[[Category: Single protein]]		[[Category: Single protein]]
	[[Category: Barril, X.]]		[[Category: Barril, X.]]
	[[Category: Cheung, K.M.]]		[[Category: Cheung, K M.]]
	[[Category: Drysdale, M.J.]]		[[Category: Drysdale, M J.]]
	[[Category: Dymock, B.W.]]		[[Category: Dymock, B W.]]
	[[Category: Grant, K.]]		[[Category: Grant, K.]]
	[[Category: Howes, R.]]		[[Category: Howes, R.]]
Line 22:		Line 22:
	[[Category: Matthews, T.]]		[[Category: Matthews, T.]]
	[[Category: Mcdonald, E.]]		[[Category: Mcdonald, E.]]
	[[Category: Northfield, C.J.]]		[[Category: Northfield, C J.]]
	[[Category: Robertson, A.]]		[[Category: Robertson, A.]]
	[[Category: Surgenor, A.]]		[[Category: Surgenor, A.]]
Line 38:		Line 38:
	[[Category: pyrazole]]		[[Category: pyrazole]]

	''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on ~~Sun~~ Feb ~~3 10~~:34:09 2008''		''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:47:29 2008''

OCA at 08:34, 3 February 2008

2008-02-03T08:34:09Z

← Older revision		Revision as of 08:34, 3 February 2008
Line 1:		Line 1:
	[[Image:2cdd.gif\|left\|200px]]<br /><applet load="2cdd" size="~~450~~" color="white" frame="true" align="right" spinBox="true"		[[Image:2cdd.gif\|left\|200px]]<br /><applet load="2cdd" size="350" color="white" frame="true" align="right" spinBox="true"
	caption="2cdd, resolution 1.90Å" />		caption="2cdd, resolution 1.90Å" />
	'''HUMAN HSP90 WITH 4-(4-(2,3-DIHYDRO-BENZOL(1,4)DIOXIN-6-YL)-5-METHYL-1H-PYRAZOL-3-YL)-6-ETHYL-BENZENE-1,3-DIOL'''<br />		'''HUMAN HSP90 WITH 4-(4-(2,3-DIHYDRO-BENZOL(1,4)DIOXIN-6-YL)-5-METHYL-1H-PYRAZOL-3-YL)-6-ETHYL-BENZENE-1,3-DIOL'''<br />
Line 7:		Line 7:

	==About this Structure==		==About this Structure==
	2CDD is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with CT5 as [http://en.wikipedia.org/wiki/ligand ligand]. Known structural/functional Site: <scene name='pdbsite=AC1:Ct5 Binding Site For Chain B'>AC1</scene>. Full crystallographic information is available from [http://~~ispc~~.weizmann.ac.il/oca-bin/ocashort?id=2CDD OCA].		2CDD is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=CT5:'>CT5</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Known structural/functional Site: <scene name='pdbsite=AC1:Ct5+Binding+Site+For+Chain+B'>AC1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2CDD OCA].

	==Reference==		==Reference==
Line 38:		Line 38:
	[[Category: pyrazole]]		[[Category: pyrazole]]

	''Page seeded by [http://~~ispc~~.weizmann.ac.il/oca OCA ] on ~~Tue Dec 18 19~~:18:~~25 2007~~''		''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Feb 3 10:34:09 2008''