Dihydrofolate reductase

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DHFR complex with phosphate (PDB code [[3ia5]])

Contents

Additional Resources


3D Structures of Dihydrofolate reductase

Updated on 26-August-2014

DHFR

1ohk, 1ohj – hDHFR – different crystal forms - human
3f8y, 3f8z, 3f91, 3eig, 1dlr, 1dls – hDHFR (mutant)
3ia5 – MpDHFR – Mritella profunda
2kgk, 2qk8 – BaDHFR – Bacillus anthracis
3dfr – LcDHFR – Lactobacillus casei
2w9t – SaDHFR S1 - Staphylococcus aureus
2ith, 1vdr – HvDHFR - Haloferax volcanii
2rh2, 2gqv, 1vie, 1vif, 1dfr, 5dfr – EcDHFR – Eschericia coli
1dhi, 1dhj, 2d0k – EcDHFR (mutant)
3sfm – EcDHFR-2
1dyr – PncDHFR - Pneumocystis carinii
1zdr – BsDHFR – Bacillus stearothermophilus
1juv – DHFR – Bacteriophage T4
1ai9 – CaDHFR - Candida albicans
1cz3, 1d1g – DHFR – Thermotoga maritima
3q1h – DHFR – Yersinia pestis
2l28 – DHFR – Lactobacillus casei - NMR
3vco – DHFR – Schistosoma mansoni

DHFR-Thymidine synthase (TS) complex

3cl9, 2h2q, 3qfx – TcDHFR-TS - Trypanosoma cruzi
1qzf - ChTcDHFR-TS – Cryptosporidium hominis
3dl5, 3dl6, 2oip – ChDHFR-TS (mutant)
3i3r, 3kjr - BbDHFR-TS – Babesia bovis
3clb – TcDHFR-TS + TMX
3irm, 3iro - TcDHFR-TS + inhibitor
3irn - TcDHFR-TS+NADPH +inhibitor
3dg8, 1j3i, 3dga - PfDHFR-TS+NADPH +dUMP+inhibitor – Plasmodium falciparum
1j3k, 1j3j, 3jsu - PfDHFR-TS (mutant)+NADPH+dUMP+ inhibitor
3qgt - PfDHFR-TS +NADPH+dUMP+ inhibitor
3qg2 - PfDHFR-TS (mutant)+NADPH + inhibitor
3um5, 3um6, 4dp3 - PfDHFR-TS (mutant)+NADPH + dUMP + anti-malarial drug
3um8, 4dph - PfDHFR-TS + NADPH + anti-malarial drug
4dpd - PfDHFR-TS +NADPH + dUMP + folate
3inv - TcDHFR-TS+NADPH+dUMP+inhibitor
3kjs, 3rg9 - TcDHFR-TS+NADPH +inhibitor
3k2h, 3nrr - BbDHFR-TS+NADPH+dUMP+inhibitor
2bl9, 2bla, 2blb, 2blc – PvDHFR-TS+ anti-malarial drug – Plasmodium vivax
3hbb – TcDHFR-TS+MTX & TMTX
4eck, 4eil - DHFR-TS + NADPH + dUMP + folate – Toxoplasma gondii
4ky8 - ChDHFR-TS + NADPH + dUMP + MTX + pyrimidine derivative

DHFR+antifolate inhibitors

Binary complexes

3fra – SaDHFR (mutant)+iclaprim
3sqy, 3sr5, 3srq, 3srr, 3srs, 3sru, 3srw, 4fgg, 4fgh – SaDHFR + inhibitor
3fl8 – BaDHFR+RAB1
3fl9 – BaDHFR+TMP
4elb, 4ele, 4elf, 4elg, 4elh – BaDHFR + inhibitor
2w9h – SaDHFR+TMP
2hm9 – LcDHFR+TMP
1ao8 - LcDHFR+MTX – NMR
1dis, 1diu - LcDHFR+ brodimoprim – NMR
1dra, 1drb, 2drc, 3drc, 1dds, 4dfr - EcDHFR+MTX
2inq – EcDHFR+MTX – neutron diffraction
1rx5, 3och - EcDHFR+ inhibitor
4eig, 4eiz – EcDHFR + antibody fragment
1s3u, 1s3v, 1s3w – hDHFR+tetrahydroauinazoline
1mvs, 1mvt, 1pd8, 1pd9, 1pdb, 1mvs, 1mvt, 3fs6, 1hfp, 1hfq, 1hfr, 2c2s, 2c2t, 2w3b, 3gyf, 3nxo, 3nxr, 3nxt, 3nxv, 3nu0, 4g95 – hDHFR+pyrimidine derivatives
3s7a - hDHFR+ inhibitor
3l3r, 3gi2, 3ghc, 3ghv, 3ghw, 3oaf – hDHFR (mutant)+pyrimidine derivatives
3n0h, 3s3v – hDHFR (mutant) +TMP
2cig – MtDHFR+isoniazid derivative – Mycobacterium tuberculosis
4klx - MtDHFR + ADP
3tq8 - CbDHFR+TMP – Coxiella burnetii
3tq9 – CbDHFR + methotrexate

Ternary complexes

3i8a, 3f0q, 3f0s, 3f0v, 3f0x, 3f0b, 3f0u, 3fq0, 3fqc, 3fqf, 3fqo, 3fqv, 3fqz – SaDHFR (mutant)+NADPH+ pyrimidine derivative
4lae, 4lag, 4lah, 4lek - SaDHFR +NADPH+ quinazoline derivative
3frf – SaDHFR (mutant)+iclaprim+NADPH
3frb – SaDHFR (mutant)+TMP+NADP
3fre, 2w9s – SaDHFR (mutant)+TMP+NADPH
4g8z - DHFR (mutant)+TMP+NADPH – Pneumocystis jirovecii
2w3v – MaDHFR +TMP+NADPH – Mycobacterium avium
2w3w – MaDHFR+NADPH+6-((2,5-diethoxyphenyl)aminomethyl)-2,4-diamino-methylpyrido(2,3-D)pyrimidine
3fy8, 3fyw – SaDHFR + AR-101+NADPH
3fy9 – SaDHFR (mutant)+ AR-102+NADPH
3fyv – SaDHFR (mutant)+ AR-102+NADPH
3fyw – SaDHFR + AR-101+NADPH
3ia4 – MpDHFR+methotrexate (MTX)+NADPH
3jw3, 3jw5 – BaDHFR (mutant)+ TMP +NADPH
3s9u, 3sa1, 3sa2, 3sai – BaDHFR (mutant) +TMP analog + NADP
3dat - BaDHFR+ MTX+NADPH
3e0b, 3jvx, 3jwc, 3jwf, 3jwk, 3jwm – BaDHFR (mutant)+NADP+ pyrimidine derivative
3lg4 - SaDHFR (mutant)+NADP+ pyrimidine derivative
3sgy, 3sh2 - SaDHFR +NADP+ pyrimidine derivative
2w9g - SaDHFR+ TMP +NADPH
3m08 - SaDHFR+RAB1+NADP
3m09 – SaDHFR (mutant)+RAB1+NADP
1lud - LcDHFR+NADPH+ TMP – NMR
1bzf - LcDHFR+NADPH+ TMX – NMR
3cse, 3eej, 3eek, 3eel, 3eem, 4h98 - CgDHFR +NADPH+ pyrimidine derivatives – Candida glabrata
3k45, 3k47 – mDHFR+E & Z-isomer+NADPH – mouse
3d80, 3d84 – mDHFR+NADPH+2,4-diamino-6-(2’-hydrosydibenz[b,f]azepin-5-yl)methylpteridine
2fzi, 2fzj - mDHFR+NADPH+ TMP
1u70 – mDHFR (mutant)+MTX+NADPH
1dre, 1rb3, 1rg7, 1rh3, 1ra3, 1rx3, 3dau, 4gh8 - EcDHFR+NADP+MTX
3kfy - EcDHFR+NADPH + inhibitor
1ddr - EcDHFR+MTX+urea
1tdr - EcDHFR+MTX+Te
1rc4, 1dyj - EcDHFR+NADP+5,10-dideazatetrahydrofolate
1dyh - EcDHFR+NADP+dideazafolic acid
1rx4 - EcDHFR+5,10-dideazatetrahydrofolate+monophosphoadenosine 5’-diphosphoribose
1rx6 - EcDHFR+5,10-dideazatetrahydrofolate+NADPH
1drh - EcDHFR+ 5,10-dideazatetrahydrofolate+folate+5-deazafolate
2ano, 2anq - EcDHFR+NADPH+MS-SH08-17
3qyl, 3qyo, 3r33 - EcDHFR +NADPH+quinazoline derivative
1vj3 – PcHDFR+TAB+NADPH – Plasmodium carinii
1daj, 3nz6, 3nz9, 3nzb, 3nzc, 3nzd, 4ixe– PcDHFR + NADPH + pyrimidine derivative
4ixf, 4ixg – PcDHFR (mutant) + NADPH + pyrimidine derivative
2fzh – PcDHFR+NADPH+ TMP
1ly3, 1s3y – PcDHFR +NAP+quinazoline derivative
1ly4, 3td8 - PcDHFR +NAP+pyrimidine derivative
2w3a – hDHFR +TMP+NADPH
4ddr, 4kak, 4kbn, 4kd7, 4keb, 4kfj – hDHFR + NADPH + pyrimidine inhibitor
1yho - hDHFR+NADPH+ TMP – NMR
1u71, 1u72 - hDHFR (mutant)+MTX+NADPH
1boz – hDHFR (mutant)+NADPH+quinazoline derivative
1kms, 1kmv , 3ntz, 3nxx, 3nxy – hDHFR+NADPH+ inhibitor
1m79, 1m78, 1m7a, 1ia1, 1ia2, 1ia3, 1ia4, 1aoe – CaDHFR+NADPH+quinazoline derivative
4h95, 4h96, 4h97 - CaDHFR + NADPH + pyrimidine derivative
1df7 - MtDHFR +MTX+NADPH
1dg5 - MtDHFR + TMP +NADPH
4km2 - MtDHFR + ADP + TMP
4kne - MtDHFR + ADP + anti-folate drug
1dg7 - MtDHFR + 4-Br-WR99210 +NADPH
4km0 – MtDHFR + ADP + pyrimidine derivative
1dr1, 1dr2, 1dr3 - cDHFR+NADP+biopterin – chicken
1dr4, 1dr5, 1dr6, 1dr7 - cDHFR+NADP+biopterin+Hg
1klk – DHFR+NADPH+PT653 – rat
1sej - ChDHFR +NADPH+quinazoline derivative+deoxyuridine
3ix9 – DHFR (mutant) +MTX+NADPH – Streptococcus pneumoniae
3nza - PncDHFR+NADPH+ inhibitor

DHFR+ligands

3frd – SaDHFR (mutant)+folate +NADP
2w3m, 4m6k – hDHFR +folate+NADPH
1drf - hDHFR +folate
1dhf, 2dhf – hDHFR+folate+5-deazofolate
4m6l - hDHFR+folate+ NADPH + folate derivative
1e26 - PcDHFR-TS+NADP+folate
2jyb – HvDHFR+folate
2rk1 – EcDHFR+NADP+dihydrofolate
7dfr - EcDHFR+NAP+NADP+folate
1ra8, 1rx8 – EcDHFR+folate+monophosphoadenosine 5’-diphosphoribose
1rb2, 1rx2, 1ra2, 3ql3, 4kjj, 4kjk, 4nx6, 4nx7 - EcDHFR+folate +NADP
3ql0, 4kjl – EcDHFR (mutant) +folate+NADP
1rx7, 1rd7, 1re7 - EcDHFR+folate
1rf7 - EcDHFR+dihydrofolate
1dyi - EcDHFR+NADP+folic acid
4ej1, 4fhb – EcDHFR + antibody fragment + folate
1jol, 1jom - EcDHFR+folinic acid
3jtw – DHFR + ligand – Pediococcus pentosaceus
2cd2, 3cd2, 4cd2 - PcDHFR+NADP+folate
1cd2 - PcHDFR+folate+NADPH
2zza – MpDHFR+ folate +NADP
3tqb – CbDHFR + NADPH + folate

DHFR+co-factors

2hqp, 2lf1 – LcDHFR+NADPH – NMR
2rk2, 2p4t, 1ra9, 1rx9 – EcDHFR+NADP
1rx1, 1ra1 - EcDHFR+NADPH
6dfr - EcDHFR+NAP+NADP
1dg8, 4kl9 - MtDHFR +NADPH
8dfr - cDHFR +NADPH
3tqa – CbDHFR + NADPH
4m6j - hDHFR +NADPH
3k74, 4i13, 4i1n – EcDHFR+nanobody

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