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 />
**[[3um5]], [[3um6]], [[4dp3]] - PfDHFR-TS (mutant)+NADPH + dUMP + anti-malarial drug<br />
**[[3qg2]], [[6leu]], [[6lev]], [[6lez]], [[6lh9]], [[6lhi]], [[6lhj]] - PfDHFR-TS (mutant)+NADPH + inhibitor<br />
**[[3um8]], [[4dph]] - 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 />
**[[4dpd]] - PfDHFR-TS +NADPH + dUMP + folate<br />
**[[4dpd]] - PfDHFR-TS +NADPH + dUMP + folate<br />
**[[3k2h]], [[3nrr]] - BbDHFR-TS+NADPH+dUMP+inhibitor<br />
**[[3k2h]], [[3nrr]] - BbDHFR-TS+NADPH+dUMP+inhibitor<br />
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**[[5t0l]], [[6n1t]] - TgDHFR-TS + NADPH + dUMP + folate derivative + inhibitor<br />
**[[5t0l]], [[6n1t]] - TgDHFR-TS + NADPH + dUMP + folate derivative + inhibitor<br />
**[[3hj3]] - ChDHFR-TS + NADPH + dUMP + MTX  <br />
**[[3hj3]] - ChDHFR-TS + NADPH + dUMP + MTX  <br />
**[[4ky8]], [[4q0d]], [[4q0e]] - ChDHFR-TS + NADPH + dUMP + MTX + pyrimidine derivative  <br />
**[[4ky8]], [[4q0d]], [[4q0e]], [[6ojs]], [[6pf7]], [[6pf8]], [[6pf9]], [[6pfa]], [[6pfb]], [[6pfc]], [[6pfd]], [[6pfe]], [[6pff]], [[6pfg]], [[6pfh]], [[6pfi]] - ChDHFR-TS + NADPH + dUMP + MTX + pyrimidine derivative  <br />
**[[6aog]], [[6aoh]], [[6aoi]] - TgDHFR-TS + NADPH + dUMP + folate derivative + inhibitor<br />
**[[6aog]], [[6aoh]], [[6aoi]] - TgDHFR-TS + NADPH + dUMP + folate derivative + inhibitor<br />
**[[6n1s]] - TgDHFR-TS (mutant) + NADPH + dUMP + folate derivative + inhibitor<br />
**[[6n1s]] - TgDHFR-TS (mutant) + NADPH + dUMP + folate derivative + inhibitor<br />
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**[[2cig]] – MtDHFR+isoniazid derivative – ''Mycobacterium tuberculosis''<br />
**[[2cig]] – MtDHFR+isoniazid derivative – ''Mycobacterium tuberculosis''<br />
**[[4klx]] - MtDHFR + ADP<br />
**[[4klx]] - MtDHFR + ADP<br />
**[[3tq8]] - CbDHFR+TMP – ''Coxiella burnetii''<br />
**[[3tq8]] - CbDHFR + TMP – ''Coxiella burnetii''<br />
**[[3tq9]] – CbDHFR + MTX<br />
**[[3tq9]] – CbDHFR + MTX<br />
**[[4qi9]], [[5hi6]] - YpDHFR + MTX <br />
**[[4qi9]], [[5hi6]] - YpDHFR + MTX <br />
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**[[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<br />
**[[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<br />
**[[3sgy]], [[3sh2]], [[4tu5]], [[4xe6]], [[4xec]], [[5hf0]], [[5hf2]], [[5jg0]], [[6e4e]] - SaDHFR +NADP+ pyrimidine  derivative<br />
**[[3sgy]], [[3sh2]], [[4tu5]], [[4xe6]], [[4xec]], [[5hf0]], [[5hf2]], [[5jg0]], [[6e4e]], [[6nd2]], [[6pbo]] - SaDHFR +NADP+ pyrimidine  derivative<br />
**[[3i8a]], [[3f0q]], [[3f0s]], [[3f0v]], [[3f0x]], [[3f0b]], [[3f0u]], [[3fq0]], [[3fqc]], [[3fqf]], [[3fqo]], [[3fqv]], [[3fqz]], [[3lg4]], [[5isp]], [[5isq]], [[5ist]] – SaDHFR (mutant)+NADPH+ pyrimidine derivative<br />
**[[3i8a]], [[3f0q]], [[3f0s]], [[3f0v]], [[3f0x]], [[3f0b]], [[3f0u]], [[3fq0]], [[3fqc]], [[3fqf]], [[3fqo]], [[3fqv]], [[3fqz]], [[3lg4]], [[5isp]], [[5isq]], [[5ist]] – SaDHFR (mutant)+NADPH+ pyrimidine derivative<br />
**[[2w3w]] – MaDHFR+NADPH+ pyrimidine derivative<br />
**[[2w3w]] – MaDHFR+NADPH+ pyrimidine derivative<br />
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**[[4h95]], [[4h96]], [[4h97]], [[4hoe]], [[4hof]] - CaDHFR + NADPH + pyrimidine derivative<br />
**[[4h95]], [[4h96]], [[4h97]], [[4hoe]], [[4hof]] - CaDHFR + NADPH + pyrimidine derivative<br />
**[[4km0]] – MtDHFR + ADP + pyrimidine derivative<br />
**[[4km0]] – MtDHFR + ADP + pyrimidine derivative<br />
**[[5ja3]], [[5u26]], [[5u27]], [[5ujf]], [[6ddp]], [[6dds]], [[6ddw]] – MtDHFR + NADP + pyrimidine derivative<br />
**[[5ja3]], [[5u26]], [[5u27]], [[5ujf]], [[6ddp]], [[6dds]], [[6ddw]], [[6nnc]], [[6nne]] – MtDHFR + NADP + pyrimidine derivative<br />
**[[3nza]] - PncDHFR+NADPH+ pyrimidine derivative<br />
**[[3nza]] - PncDHFR+NADPH+ pyrimidine derivative<br />
**[[4m7v]] - EfDHFR +NADPH + pyrimidine derivative - ''Enterococcus faecalis'' <br />
**[[4m7v]] - EfDHFR +NADPH + pyrimidine derivative - ''Enterococcus faecalis'' <br />
**[[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''


**[[1boz]] – hDHFR (mutant)+NADPH+quinazoline derivative<br />
**[[4lae]], [[4lag]], [[4lah]], [[4lek]] - SaDHFR +NADPH+ quinazoline derivative<br />
**[[4lae]], [[4lag]], [[4lah]], [[4lek]] - SaDHFR +NADPH+ quinazoline derivative<br />
**[[3qyl]], [[3qyo]], [[3r33]], [[3kfy]] - EcDHFR +NADPH+quinazoline derivative<br />
**[[3qyl]], [[3qyo]], [[3r33]], [[3kfy]] - EcDHFR +NADPH+quinazoline derivative<br />
**[[1ly3]], [[1s3y]] – PcDHFR +NAP+quinazoline derivative<br />
**[[1ly3]], [[1s3y]] – PcDHFR +NAP+quinazoline derivative<br />
**[[1boz]] – hDHFR (mutant)+NADPH+quinazoline derivative<br />
**[[1m79]], [[1m78]], [[1m7a]], [[1ia1]], [[1ia2]], [[1ia3]], [[1ia4]], [[1aoe]] – CaDHFR+NADPH+quinazoline derivative <br />
**[[1m79]], [[1m78]], [[1m7a]], [[1ia1]], [[1ia2]], [[1ia3]], [[1ia4]], [[1aoe]] – CaDHFR+NADPH+quinazoline derivative <br />
**[[1sej]] - ChDHFR +NADPH+quinazoline derivative+deoxyuridine <br />
**[[1sej]] - ChDHFR +NADPH+quinazoline derivative+deoxyuridine <br />
**[[6dtc]] – DHFR +NADPH+quinazoline derivative – ''Aspergillus flavus''<br />


*''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 />
**[[2fzi]], [[2fzj]] - mDHFR+NADPH+ TMP<br />
**[[2fzh]] – PcDHFR+NADPH+ TMP <br />  
**[[2fzh]] – PcDHFR+NADPH+ TMP <br />
**[[2w3a]] – hDHFR +TMP+NADPH<BR />
**[[1yho]] - hDHFR+NADPH+ TMP – NMR<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 />
**[[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 />
**[[1u70]] – mDHFR (mutant)+MTX+NADPH<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 />
**[[1tdr]] - EcDHFR+MTX+Te<br />
**[[1tdr]] - EcDHFR+MTX+Te<br />  
**[[1u71]], [[1u72]] - hDHFR (mutant)+MTX+NADPH<BR />  
**[[6p9z]], [[6wep]] - SaDHFR +MTX+NADPH<BR />
**[[1df7]] - MtDHFR +MTX+NADPH<BR />  
**[[1df7]] - MtDHFR +MTX+NADPH<BR />  
**[[3ix9]] – DHFR (mutant) +MTX+NADPH – ''Streptococcus pneumoniae''<br />
**[[3ix9]] – DHFR (mutant) +MTX+NADPH – ''Streptococcus pneumoniae''<br />
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*''Other ternary complexes ''
*''Other ternary complexes ''


**[[3k45]], [[3k47]] – mDHFR+E & Z-isomer+NADPH – mouse<br />
**[[3d80]], [[3d84]] – mDHFR+NADPH+ pteridin derivative<br />
**[[1klk]] – DHFR+NADPH+PT653 – rat<br />
**[[1dr1]], [[1dr2]], [[1dr3]] - cDHFR+NADP+biopterin – chicken<br />
**[[1dr4]], [[1dr5]], [[1dr6]], [[1dr7]] - cDHFR+NADP+biopterin+Hg<br />
**[[3m08]] - SaDHFR+RAB1+NADP<br />
**[[3m08]] - SaDHFR+RAB1+NADP<br />
**[[3m09]] – SaDHFR (mutant)+RAB1+NADP<br >
**[[3m09]] – SaDHFR (mutant)+RAB1+NADP<br >
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**[[3fyv]] – SaDHFR (mutant)+ AR-102+NADPH<BR />  
**[[3fyv]] – SaDHFR (mutant)+ AR-102+NADPH<BR />  
**[[3fyw]] – SaDHFR + AR-101+NADPH<BR />  
**[[3fyw]] – SaDHFR + AR-101+NADPH<BR />  
**[[3frf ]]– SaDHFR (mutant)+iclaprim+NADPH<BR />
**[[3frf]] – SaDHFR (mutant)+iclaprim+NADPH<BR />
**[[3k45]], [[3k47]] – mDHFR+E & Z-isomer+NADPH – mouse<br />
**[[3d80]], [[3d84]] – mDHFR+NADPH+ pteridin derivative<br />  
**[[2ano]], [[2anq]] - EcDHFR+NADPH+MS-SH08-17<br />
**[[2ano]], [[2anq]] - EcDHFR+NADPH+MS-SH08-17<br />
**[[5uih]] - EcDHFR+NADP + drug<br />
**[[5uih]] - EcDHFR+NADP + drug<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 />
**[[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 />  
**[[1dr1]], [[1dr2]], [[1dr3]] - cDHFR+NADP+biopterin – chicken<br />
**[[6vs6]], [[6vs8]], [[6vs9]], [[6vsb]], [[6vsd]], [[6vse]], [[6vsf]], [[6vsg]] - MtDHFR + inhibitor +NADPH<BR />
**[[1dr4]], [[1dr5]], [[1dr6]], [[1dr7]] - cDHFR+NADP+biopterin+Hg<br />
**[[1klk]] – DHFR+NADPH+PT653 – rat<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]] - EcDHFR+folate +NADP<br />  
**[[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 />
**[[8dfr]] - cDHFR +NADPH<BR />
**[[3tqa]] – CbDHFR + NADPH<br />
**[[3tqa]] – CbDHFR + NADPH<br />
**[[4m6j]] - hDHFR +NADPH<br />
**[[2xw7]] - DHFR +NADPH – ''Mycobacterium smegmatis''<br />
**[[2xw7]] - DHFR +NADPH – ''Mycobacterium smegmatis''<br />
**[[4m7u]] - EfDHFR +NADPH <br />
**[[4m7u]] - EfDHFR +NADPH <br />
**[[4q67]] - SaDHFR +NADPH <br />
**[[4q67]], [[6pra]] - SaDHFR +NADPH <br />
**[[4q6a]] - SaDHFR (mutant) +NADPH <br />
**[[4q6a]] - SaDHFR (mutant) +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

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

Michal Harel