Dihydrofolate reductase 3D structures: Difference between revisions
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*DHFR-Thymidine synthase (TS) complex | *DHFR-Thymidine synthase (TS) complex | ||
**[[6pfi]] - hDHFR-TS + NADPH + dUMP + pyrimidine derivative <br /> | |||
**[[3cl9]], [[2h2q]], [[3qfx]] – TcDHFR-TS - ''Trypanosoma cruzi''<br /> | **[[3cl9]], [[2h2q]], [[3qfx]] – TcDHFR-TS - ''Trypanosoma cruzi''<br /> | ||
**[[1qzf]] - ChTcDHFR-TS – ''Cryptosporidium hominis''<br /> | **[[1qzf]] - ChTcDHFR-TS – ''Cryptosporidium hominis''<br /> | ||
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**[[3dg8]], [[1j3i]], [[3dga]], [[3qgt]], [[6a2k]], [[6a2m]], [[6a2o]] - PfDHFR-TS+NADPH +dUMP+inhibitor – ''Plasmodium falciparum''<br /> | **[[3dg8]], [[1j3i]], [[3dga]], [[3qgt]], [[6a2k]], [[6a2m]], [[6a2o]] - PfDHFR-TS+NADPH +dUMP+inhibitor – ''Plasmodium falciparum''<br /> | ||
**[[1j3k]], [[1j3j]], [[3jsu]], [[6a2l]], [[6a2n]], [[6a2p]] - PfDHFR-TS (mutant)+NADPH+dUMP+ inhibitor<br /> | **[[1j3k]], [[1j3j]], [[3jsu]], [[6a2l]], [[6a2n]], [[6a2p]] - PfDHFR-TS (mutant)+NADPH+dUMP+ inhibitor<br /> | ||
**[[3qg2]] - PfDHFR-TS (mutant)+NADPH + inhibitor<br /> | **[[7ctw]], [[7cty]] - PfDHFR-TS +NADPH+ inhibitor<br /> | ||
**[[3qg2]], [[6leu]], [[6lev]], [[6lez]], [[6lh9]], [[6lhi]], [[6lhj]] - PfDHFR-TS (mutant)+NADPH + inhibitor<br /> | |||
**[[3um8]], [[4dph]], [[6kot]] - PfDHFR-TS + NADPH + anti-malarial drug<br /> | **[[3um8]], [[4dph]], [[6kot]] - PfDHFR-TS + NADPH + anti-malarial drug<br /> | ||
**[[3um5]], [[3um6]], [[4dp3]], [[6kp2]], [[6kp7]], [[6kpr]] - PfDHFR-TS (mutant)+NADPH + dUMP + anti-malarial drug<br /> | **[[3um5]], [[3um6]], [[4dp3]], [[6kp2]], [[6kp7]], [[6kpr]] - PfDHFR-TS (mutant)+NADPH + dUMP + anti-malarial drug<br /> | ||
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**[[4or7]], [[4osg]], [[5ecc]], [[5ecx]] - DHFR +NADPH + pyrimidine derivative – ''Klebsiella pneumoniae'' <br /> | **[[4or7]], [[4osg]], [[5ecc]], [[5ecx]] - DHFR +NADPH + pyrimidine derivative – ''Klebsiella pneumoniae'' <br /> | ||
**[[6cxm]] - MsDHFR +NADPH + pyrimidine derivative – ''Mycobacterium smegmatis''<br /> | **[[6cxm]] - MsDHFR +NADPH + pyrimidine derivative – ''Mycobacterium smegmatis''<br /> | ||
**[[7k6c]] – DHFR (mutant) + NADPH + pyrimidine derivative –'' Mycobacterioides abscessus''<br /> | |||
**[[6uwq]], [[6uww]] – MuDHFR + NADPH + pyrimidine derivative – ''Mycobacterium ulcerans''<br /> | |||
**[[7k68]], [[7k6a]] – MuDHFR (mutant) + NADPH + pyrimidine derivative <br /> | |||
*''Ternary complexes with quinazoline derivative'' | *''Ternary complexes with quinazoline derivative'' | ||
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*''Ternary complexes with TMP'' | *''Ternary complexes with TMP'' | ||
**[[2w3a]] – hDHFR +TMP+NADPH<BR /> | |||
**[[1yho]] - hDHFR+NADPH+ TMP – NMR<BR /> | |||
**[[2fzi]], [[2fzj]] - mDHFR+NADPH+ TMP<br /> | |||
**[[2w9g]] - SaDHFR+ TMP +NADPH<BR /> | **[[2w9g]] - SaDHFR+ TMP +NADPH<BR /> | ||
**[[3fre]], [[2w9s]], [[3frb]] – SaDHFR (mutant)+TMP+NADPH<BR /> | **[[3fre]], [[2w9s]], [[3frb]] – SaDHFR (mutant)+TMP+NADPH<BR /> | ||
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**[[3s9u]], [[3sa1]], [[3sa2]], [[3sai]] – BaDHFR (mutant) +TMP analog + NADP<br /> | **[[3s9u]], [[3sa1]], [[3sa2]], [[3sai]] – BaDHFR (mutant) +TMP analog + NADP<br /> | ||
**[[1lud]] - LcDHFR+NADPH+ TMP – NMR<BR /> | **[[1lud]] - LcDHFR+NADPH+ TMP – NMR<BR /> | ||
**[[2fzh]] – PcDHFR+NADPH+ TMP <br /> | |||
**[[2fzh]] – PcDHFR+NADPH+ TMP <br | |||
**[[1dg5]] - MtDHFR + TMP +NADPH<BR /> | **[[1dg5]] - MtDHFR + TMP +NADPH<BR /> | ||
**[[4km2]] - MtDHFR + ADP + TMP<br /> | **[[4km2]] - MtDHFR + ADP + TMP<br /> | ||
**[[6xg4]], [[6xg5]] - EcDHFR+NADPH+ TMP<br /> | |||
*''Ternary complexes with MTX'' | *''Ternary complexes with MTX'' | ||
**[[1u71]], [[1u72]] - hDHFR (mutant)+MTX+NADPH<BR /> | **[[1u71]], [[1u72]] - hDHFR (mutant)+MTX+NADPH<BR /> | ||
**[[1u70]] – mDHFR (mutant)+MTX+NADPH<BR /> | |||
**[[3ia4]] – MpDHFR+ MTX +NADPH<BR /> | **[[3ia4]] – MpDHFR+ MTX +NADPH<BR /> | ||
**[[3dat]] - BaDHFR+ MTX+NADPH<BR /> | **[[3dat]] - BaDHFR+ MTX+NADPH<BR /> | ||
**[[1bzf]] - LcDHFR+NADPH+ TMX – NMR<BR /> | **[[1bzf]] - LcDHFR+NADPH+ TMX – NMR<BR /> | ||
**[[1dre]], [[1rb3]], [[1rg7]], [[1rh3]], [[1ra3]], [[1rx3]], [[3dau]], [[4gh8]] - EcDHFR+NADP+MTX<br /> | **[[1dre]], [[1rb3]], [[1rg7]], [[1rh3]], [[1ra3]], [[1rx3]], [[3dau]], [[4gh8]] - EcDHFR+NADP+MTX<br /> | ||
**[[1ddr]] - EcDHFR+MTX+urea<br /> | **[[1ddr]] - EcDHFR+MTX+urea<br /> | ||
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**[[1vj3]] – PcHDFR+TAB+NADPH <br /> | **[[1vj3]] – PcHDFR+TAB+NADPH <br /> | ||
**[[4m2x]] - MtDHFR + trimetrexate +NADPH<br /> | **[[4m2x]] - MtDHFR + trimetrexate +NADPH<br /> | ||
**[[6nnh]] - MtDHFR + cycloguanyl +NADPH<br /> | **[[6nnh]] - MtDHFR + cycloguanyl +NADPH<br /> | ||
**[[6nni]] - MtDHFR + pyrimethamine +NADPH<br /> | **[[6nni]] - MtDHFR + pyrimethamine +NADPH<br /> | ||
**[[4kne]] - MtDHFR + ADP + anti-folate drug<br /> | **[[4kne]] - MtDHFR + ADP + anti-folate drug<br /> | ||
**[[1dg7]] - MtDHFR + 4-Br-WR99210 +NADPH<BR /> | **[[1dg7]] - MtDHFR + 4-Br-WR99210 +NADPH<BR /> | ||
**[[6vs6]], [[6vs8]], [[6vs9]], [[6vsb]], [[6vsd]], [[6vse]], [[6vsf]], [[6vsg]] - MtDHFR + inhibitor +NADPH<BR /> | |||
*DHFR higher complexes | *DHFR higher complexes | ||
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*DHFR+ligands | *DHFR+ligands | ||
**[[2w3m]], [[4m6k]], [[6dav]] – hDHFR +folate+NADPH<BR /> | **[[2w3m]], [[4m6k]], [[6dav]], [[7ese]] – hDHFR +folate+NADPH<BR /> | ||
**[[1drf]] - hDHFR +folate<br /> | **[[1drf]] - hDHFR +folate<br /> | ||
**[[1dhf]], [[2dhf]] – hDHFR+folate+5-deazofolate<br /> | **[[1dhf]], [[2dhf]] – hDHFR+folate+5-deazofolate<br /> | ||
**[[4m6l]] - hDHFR+folate+ NADPH + folate derivative<br /> | **[[4m6l]] - hDHFR+folate+ NADPH + folate derivative<br /> | ||
**[[6vcj]] - hDHFR+folate+ NADPH + pyrimidine derivative + drug<br /> | |||
**[[1e26]] - PcDHFR-TS+NADP+folate<br /> | **[[1e26]] - PcDHFR-TS+NADP+folate<br /> | ||
**[[2jyb]] – HvDHFR+folate<br /> | **[[2jyb]] – HvDHFR+folate<br /> | ||
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**[[7dfr]] - EcDHFR+NAP+NADP+folate<br /> | **[[7dfr]] - EcDHFR+NAP+NADP+folate<br /> | ||
**[[1ra8]], [[1rx8]], [[1rx4]] – EcDHFR+folate+ ADP derivative<br /> | **[[1ra8]], [[1rx8]], [[1rx4]] – EcDHFR+folate+ ADP derivative<br /> | ||
**[[1rb2]], [[1rx2]], [[1ra2]], [[3ql3]], [[4kjj]], [[4kjk]], [[4nx6]], [[4nx7]], [[4pss]], [[4pst]], [[4psy]], [[4pth]], [[4ptj]], [[4rgc]], [[4x5f]], [[4x5g]], [[4x5h]], [[4x5i]], [[4x5j]], [[1dyl]] | **[[1rb2]], [[1rx2]], [[1ra2]], [[3ql3]], [[4kjj]], [[4kjk]], [[4nx6]], [[4nx7]], [[4pss]], [[4pst]], [[4psy]], [[4pth]], [[4ptj]], [[4rgc]], [[4x5f]], [[4x5g]], [[4x5h]], [[4x5i]], [[4x5j]], [[1dyl]], [[7d3z]], [[7d49]], [[7d4l]], [[7d4x]], [[7d6g]], [[7lvc]] - EcDHFR+folate +NADP<br /> | ||
**[[4pdj]] - EcDHFR+folate+NADP – Neutron<br /> | **[[4pdj]] - EcDHFR+folate+NADP – Neutron<br /> | ||
**[[5cc9]], [[5ccc]], [[1rc4]], [[1dyj]], [[1dyh]], [[1rx6]], [[6cyv]] - EcDHFR+folate derivative +NADP <br /> | **[[5cc9]], [[5ccc]], [[1rc4]], [[1dyj]], [[1dyh]], [[1rx6]], [[6cyv]] - EcDHFR+folate derivative +NADP <br /> | ||
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**[[3tqb]] – CbDHFR + NADPH + folate<br /> | **[[3tqb]] – CbDHFR + NADPH + folate<br /> | ||
**[[3frd]] – SaDHFR (mutant)+folate +NADP<br /> | **[[3frd]] – SaDHFR (mutant)+folate +NADP<br /> | ||
**[[6nnd]] - MtDHFR + DHF +NADPH<br /> | |||
*DHFR+co-factors | *DHFR+co-factors | ||
**[[4m6j]] - hDHFR +NADPH<br /> | |||
**[[8dfr]] - cDHFR +NADPH<BR /> | |||
**[[2hqp]], [[2lf1]] – LcDHFR+NADPH – NMR<BR /> | **[[2hqp]], [[2lf1]] – LcDHFR+NADPH – NMR<BR /> | ||
**[[2rk2]], [[2p4t]], [[1ra9]], [[1rx9]] – EcDHFR+NADP<br /> | **[[2rk2]], [[2p4t]], [[1ra9]], [[1rx9]] – EcDHFR+NADP<br /> | ||
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**[[6dfr]] - EcDHFR+NAP+NADP<br /> | **[[6dfr]] - EcDHFR+NAP+NADP<br /> | ||
**[[1dg8]], [[4kl9]] - MtDHFR +NADPH<BR /> | **[[1dg8]], [[4kl9]] - MtDHFR +NADPH<BR /> | ||
**[[3tqa]] – CbDHFR + NADPH<br /> | **[[3tqa]] – CbDHFR + NADPH<br /> | ||
**[[2xw7]] - DHFR +NADPH – ''Mycobacterium smegmatis''<br /> | **[[2xw7]] - DHFR +NADPH – ''Mycobacterium smegmatis''<br /> | ||
**[[4m7u]] - EfDHFR +NADPH <br /> | **[[4m7u]] - EfDHFR +NADPH <br /> | ||
Latest revision as of 12:38, 28 June 2021
3D Structures of Dihydrofolate reductase3D Structures of Dihydrofolate reductase
Updated on 28-June-2021
- Ternary complexes with pyrimidine derivative
- 4ddr, 4kak, 4kbn, 4kd7, 4keb, 4kfj, 4qhv, 4qjc, 5hpb, 5hqy, 5hqz, 5hsr, 5hsu, 5ht4, 5ht5, 5hui, 5hvb, 5hve, 1kms, 1kmv, 3ntz, 3nxx, 3nxy, 6a7c, 6a7e, 6de4 – hDHFR + NADPH + pyrimidine inhibitor
- 3sgy, 3sh2, 4tu5, 4xe6, 4xec, 5hf0, 5hf2, 5jg0, 6e4e, 6nd2, 6pbo - SaDHFR +NADP+ pyrimidine derivative
- 3i8a, 3f0q, 3f0s, 3f0v, 3f0x, 3f0b, 3f0u, 3fq0, 3fqc, 3fqf, 3fqo, 3fqv, 3fqz, 3lg4, 5isp, 5isq, 5ist – SaDHFR (mutant)+NADPH+ pyrimidine derivative
- 2w3w – MaDHFR+NADPH+ pyrimidine derivative
- 3e0b, 3jvx, 3jwc, 3jwf, 3jwk, 3jwm – BaDHFR (mutant)+NADP+ pyrimidine derivative
- 3cse, 3eej, 3eek, 3eel, 3eem, 4h98, 4hog, 3qlx - CgDHFR +NADPH+ pyrimidine derivatives – Candida glabrata
- 1daj, 3nz6, 3nz9, 3nzb, 3nzc, 3nzd, 4ixe, 4qjz – PcDHFR + NADPH + pyrimidine derivative
- 4ixf, 4ixg – PcDHFR (mutant) + NADPH + pyrimidine derivative
- 1ly4, 3td8 - PcDHFR +NAP+pyrimidine derivative
- 4h95, 4h96, 4h97, 4hoe, 4hof - CaDHFR + NADPH + pyrimidine derivative
- 4km0 – MtDHFR + ADP + pyrimidine derivative
- 5ja3, 5u26, 5u27, 5ujf, 6ddp, 6dds, 6ddw, 6nnc, 6nne – MtDHFR + NADP + pyrimidine derivative
- 3nza - PncDHFR+NADPH+ pyrimidine derivative
- 4m7v - EfDHFR +NADPH + pyrimidine derivative - Enterococcus faecalis
- 4or7, 4osg, 5ecc, 5ecx - DHFR +NADPH + pyrimidine derivative – Klebsiella pneumoniae
- 6cxm - MsDHFR +NADPH + pyrimidine derivative – Mycobacterium smegmatis
- 7k6c – DHFR (mutant) + NADPH + pyrimidine derivative – Mycobacterioides abscessus
- 6uwq, 6uww – MuDHFR + NADPH + pyrimidine derivative – Mycobacterium ulcerans
- 7k68, 7k6a – MuDHFR (mutant) + NADPH + pyrimidine derivative
- 4ddr, 4kak, 4kbn, 4kd7, 4keb, 4kfj, 4qhv, 4qjc, 5hpb, 5hqy, 5hqz, 5hsr, 5hsu, 5ht4, 5ht5, 5hui, 5hvb, 5hve, 1kms, 1kmv, 3ntz, 3nxx, 3nxy, 6a7c, 6a7e, 6de4 – hDHFR + NADPH + pyrimidine inhibitor
- Ternary complexes with quinazoline derivative
- 1boz – hDHFR (mutant)+NADPH+quinazoline derivative
- 4lae, 4lag, 4lah, 4lek - SaDHFR +NADPH+ quinazoline derivative
- 3qyl, 3qyo, 3r33, 3kfy - EcDHFR +NADPH+quinazoline derivative
- 1ly3, 1s3y – PcDHFR +NAP+quinazoline derivative
- 1m79, 1m78, 1m7a, 1ia1, 1ia2, 1ia3, 1ia4, 1aoe – CaDHFR+NADPH+quinazoline derivative
- 1sej - ChDHFR +NADPH+quinazoline derivative+deoxyuridine
- 6dtc – DHFR +NADPH+quinazoline derivative – Aspergillus flavus
- 1boz – hDHFR (mutant)+NADPH+quinazoline derivative
- Ternary complexes with TMP
- 2w3a – hDHFR +TMP+NADPH
- 1yho - hDHFR+NADPH+ TMP – NMR
- 2fzi, 2fzj - mDHFR+NADPH+ TMP
- 2w9g - SaDHFR+ TMP +NADPH
- 3fre, 2w9s, 3frb – SaDHFR (mutant)+TMP+NADPH
- 4g8z - DHFR (mutant)+TMP+NADPH – Pneumocystis jirovecii
- 2w3v – MaDHFR +TMP+NADPH – Mycobacterium avium
- 3jw3, 3jw5 – BaDHFR (mutant)+ TMP +NADPH
- 3s9u, 3sa1, 3sa2, 3sai – BaDHFR (mutant) +TMP analog + NADP
- 1lud - LcDHFR+NADPH+ TMP – NMR
- 2fzh – PcDHFR+NADPH+ TMP
- 1dg5 - MtDHFR + TMP +NADPH
- 4km2 - MtDHFR + ADP + TMP
- 6xg4, 6xg5 - EcDHFR+NADPH+ TMP
- 2w3a – hDHFR +TMP+NADPH
- Ternary complexes with MTX
- 1u71, 1u72 - hDHFR (mutant)+MTX+NADPH
- 1u70 – mDHFR (mutant)+MTX+NADPH
- 3ia4 – MpDHFR+ MTX +NADPH
- 3dat - BaDHFR+ MTX+NADPH
- 1bzf - LcDHFR+NADPH+ TMX – NMR
- 1dre, 1rb3, 1rg7, 1rh3, 1ra3, 1rx3, 3dau, 4gh8 - EcDHFR+NADP+MTX
- 1ddr - EcDHFR+MTX+urea
- 1tdr - EcDHFR+MTX+Te
- 6p9z, 6wep - SaDHFR +MTX+NADPH
- 1df7 - MtDHFR +MTX+NADPH
- 3ix9 – DHFR (mutant) +MTX+NADPH – Streptococcus pneumoniae
- 1u71, 1u72 - hDHFR (mutant)+MTX+NADPH
- Other ternary complexes
- 3k45, 3k47 – mDHFR+E & Z-isomer+NADPH – mouse
- 3d80, 3d84 – mDHFR+NADPH+ pteridin derivative
- 1klk – DHFR+NADPH+PT653 – rat
- 1dr1, 1dr2, 1dr3 - cDHFR+NADP+biopterin – chicken
- 1dr4, 1dr5, 1dr6, 1dr7 - cDHFR+NADP+biopterin+Hg
- 3m08 - SaDHFR+RAB1+NADP
- 3m09 – SaDHFR (mutant)+RAB1+NADP
- 3fy8, 3fyw – SaDHFR + AR-101+NADPH
- 3fy9 – SaDHFR (mutant)+ AR-102+NADPH
- 3fyv – SaDHFR (mutant)+ AR-102+NADPH
- 3fyw – SaDHFR + AR-101+NADPH
- 3frf – SaDHFR (mutant)+iclaprim+NADPH
- 2ano, 2anq - EcDHFR+NADPH+MS-SH08-17
- 5uih - EcDHFR+NADP + drug
- 5uii – EcDHFR (mutant) + NADP + drug
- 1vj3 – PcHDFR+TAB+NADPH
- 4m2x - MtDHFR + trimetrexate +NADPH
- 6nnh - MtDHFR + cycloguanyl +NADPH
- 6nni - MtDHFR + pyrimethamine +NADPH
- 4kne - MtDHFR + ADP + anti-folate drug
- 1dg7 - MtDHFR + 4-Br-WR99210 +NADPH
- 6vs6, 6vs8, 6vs9, 6vsb, 6vsd, 6vse, 6vsf, 6vsg - MtDHFR + inhibitor +NADPH
- 3k45, 3k47 – mDHFR+E & Z-isomer+NADPH – mouse
- DHFR higher complexes
- DHFR+ligands
- 2w3m, 4m6k, 6dav, 7ese – hDHFR +folate+NADPH
- 1drf - hDHFR +folate
- 1dhf, 2dhf – hDHFR+folate+5-deazofolate
- 4m6l - hDHFR+folate+ NADPH + folate derivative
- 6vcj - hDHFR+folate+ NADPH + pyrimidine derivative + drug
- 1e26 - PcDHFR-TS+NADP+folate
- 2jyb – HvDHFR+folate
- 2rk1 – EcDHFR+NADP+dihydrofolate
- 7dfr - EcDHFR+NAP+NADP+folate
- 1ra8, 1rx8, 1rx4 – EcDHFR+folate+ ADP derivative
- 1rb2, 1rx2, 1ra2, 3ql3, 4kjj, 4kjk, 4nx6, 4nx7, 4pss, 4pst, 4psy, 4pth, 4ptj, 4rgc, 4x5f, 4x5g, 4x5h, 4x5i, 4x5j, 1dyl, 7d3z, 7d49, 7d4l, 7d4x, 7d6g, 7lvc - EcDHFR+folate +NADP
- 4pdj - EcDHFR+folate+NADP – Neutron
- 5cc9, 5ccc, 1rc4, 1dyj, 1dyh, 1rx6, 6cyv - EcDHFR+folate derivative +NADP
- 3ql0, 4kjl, 4qle, 4qlf, 4qlg – EcDHFR (mutant) +folate+NADP
- 1rx7, 1rd7, 1re7, 5e8q, 5eaj,1dyi, 1rf7, 6cw7, 6cxk, 1jol, 1jom, 6mr9 - EcDHFR+folate derivative
- 1drh, 6mt8, 6mth - EcDHFR+ folate+folate derivative
- 4ej1, 4fhb – EcDHFR + antibody fragment + folate
- 3jtw – DHFR + ligand – Pediococcus pentosaceus
- 2cd2, 3cd2, 4cd2 - PcDHFR+NADP+folate
- 1cd2 - PcHDFR+folate+NADPH
- 2zza – MpDHFR+ folate +NADP
- 3tqb – CbDHFR + NADPH + folate
- 3frd – SaDHFR (mutant)+folate +NADP
- 6nnd - MtDHFR + DHF +NADPH
- 2w3m, 4m6k, 6dav, 7ese – hDHFR +folate+NADPH
- DHFR+co-factors
- 4m6j - hDHFR +NADPH
- 8dfr - cDHFR +NADPH
- 2hqp, 2lf1 – LcDHFR+NADPH – NMR
- 2rk2, 2p4t, 1ra9, 1rx9 – EcDHFR+NADP
- 1rx1, 1ra1 - EcDHFR+NADPH
- 5w3q - EcDHFR (mutant) +NADPH
- 6dfr - EcDHFR+NAP+NADP
- 1dg8, 4kl9 - MtDHFR +NADPH
- 3tqa – CbDHFR + NADPH
- 2xw7 - DHFR +NADPH – Mycobacterium smegmatis
- 4m7u - EfDHFR +NADPH
- 4q67, 6pra - SaDHFR +NADPH
- 4q6a - SaDHFR (mutant) +NADPH
- 3k74, 4i13, 4i1n – EcDHFR+nanobody
- 4m6j - hDHFR +NADPH