10kz: Difference between revisions

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'''Unreleased structure'''


The entry 10kz is ON HOLD  until Paper Publication
==N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors==
 
<StructureSection load='10kz' size='340' side='right'caption='[[10kz]], [[Resolution|resolution]] 1.78&Aring;' scene=''>
Authors: Merchant, R.R., Chernyak, N., Lopez, J.A., Sharp, P.P., Mandal, M., He, J., Hruza, A., Rearden, P., Tatosian, D.A., Lin, K., Esmay, J., Yang, S., Cheng, A., Ellsworth, K., Ogawa, A., Piou, T., Fier, P., Hicks, J., Sinz, C., Ogawa, A.
== Structural highlights ==
 
<table><tr><td colspan='2'>[[10kz]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=10KZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=10KZ FirstGlance]. <br>
Description: N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.78&#8491;</td></tr>
[[Category: Unreleased Structures]]
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=A1C6O:(3R)-1-(1-benzyl-1H-pyrazole-4-carbonyl)-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3-piperidin]-2(1H)-one'>A1C6O</scene></td></tr>
[[Category: Merchant, R.R]]
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=10kz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=10kz OCA], [https://pdbe.org/10kz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=10kz RCSB], [https://www.ebi.ac.uk/pdbsum/10kz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=10kz ProSAT]</span></td></tr>
[[Category: Lopez, J.A]]
</table>
[[Category: Tatosian, D.A]]
== Disease ==
[[Category: Sharp, P.P]]
[https://www.uniprot.org/uniprot/KLKB1_HUMAN KLKB1_HUMAN] Defects in KLKB1 are the cause of prekallikrein deficiency (PKK deficiency) [MIM:[https://omim.org/entry/612423 612423]; also known as Fletcher factor deficiency. This disorder is a blood coagulation defect.
[[Category: Fier, P]]
== Function ==
[[Category: Esmay, J]]
[https://www.uniprot.org/uniprot/KLKB1_HUMAN KLKB1_HUMAN] The enzyme cleaves Lys-Arg and Arg-Ser bonds. It activates, in a reciprocal reaction, factor XII after its binding to a negatively charged surface. It also releases bradykinin from HMW kininogen and may also play a role in the renin-angiotensin system by converting prorenin into renin.
[[Category: Ogawa, A]]
__TOC__
[[Category: Hicks, J]]
</StructureSection>
[[Category: Sinz, C]]
[[Category: Homo sapiens]]
[[Category: Yang, S]]
[[Category: Large Structures]]
[[Category: Ellsworth, K]]
[[Category: Cheng A]]
[[Category: Piou, T]]
[[Category: Chernyak N]]
[[Category: Mandal, M]]
[[Category: Ellsworth K]]
[[Category: Hruza, A]]
[[Category: Esmay J]]
[[Category: Lin, K]]
[[Category: Fier P]]
[[Category: Cheng, A]]
[[Category: He J]]
[[Category: Chernyak, N]]
[[Category: Hicks J]]
[[Category: Rearden, P]]
[[Category: Hruza A]]
[[Category: He, J]]
[[Category: Lin K]]
[[Category: Lopez JA]]
[[Category: Mandal M]]
[[Category: Merchant RR]]
[[Category: Ogawa A]]
[[Category: Piou T]]
[[Category: Rearden P]]
[[Category: Sharp PP]]
[[Category: Sinz C]]
[[Category: Tatosian DA]]
[[Category: Yang S]]
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