Dihydrofolate reductase 3D structures

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3D Structures of Dihydrofolate reductase

Updated on 03-April-2025 {{#tree:id=OrganizedByTopic|openlevels=0|

• DHFR

• • 1ohk, 1ohj, 5dxv – 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, 5dfr, 4p3q, 4p3r, 5z6f, 5z6j, 5z6k, 5z6l, 5z6m – EcDHFR – Escherichia coli
    
  • 1dhi, 1dhj, 2d0k, 4p66, 4p68, 5ujx – 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, 5fda – YpDHFR – Yersinia pestis
    
  • 2l28 – DHFR – Lactobacillus casei - NMR
    
  • 3vco – DHFR – Schistosoma mansoni
    
  • 8f09 – DHFR – uncultured bacteria
    
  • 7rzo – SmDHFR – Stenotrophomonas maltophila
    

• DHFR-Thymidine synthase (TS) complex

• • 6pfi - hDHFR-TS + NADPH + dUMP + pyrimidine derivative
    
  • 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
    
  • 3inv - TcDHFR-TS+NADPH+dUMP+inhibitor
    
  • 5t7o - TcDHFR-TS+NADPH+dUMP + folate derivative
    
  • 3kjs, 3rg9 - TcDHFR-TS+NADPH +inhibitor
    
  • 3hbb – TcDHFR-TS+MTX & TMTX
    
  • 3dg8, 1j3i, 3dga, 3qgt, 6a2k, 6a2m, 6a2o, 7ctz, 7f3y, 7f3z - PfDHFR-TS+NADPH +dUMP+inhibitor – Plasmodium falciparum
    
  • 1j3k, 1j3j, 3jsu, 6a2l, 6a2n, 6a2p - PfDHFR-TS (mutant)+NADPH+dUMP+ inhibitor
    
  • 7ctw, 7cty - PfDHFR-TS +NADPH+ inhibitor
    
  • 3qg2, 6leu, 6lev, 6lez, 6lh9, 6lhi, 6lhj - PfDHFR-TS (mutant)+NADPH + inhibitor
    
  • 3um8, 4dph, 6kot - PfDHFR-TS + NADPH + anti-malarial drug
    
  • 3um5, 3um6, 4dp3, 6kp2, 6kp7, 6kpr - PfDHFR-TS (mutant)+NADPH + dUMP + anti-malarial drug
    
  • 4dpd - PfDHFR-TS +NADPH + dUMP + folate
    
  • 3k2h, 3nrr - BbDHFR-TS+NADPH+dUMP+inhibitor
    
  • 2bl9, 2bla, 2blb, 2blc – PvDHFR-TS+ anti-malarial drug – Plasmodium vivax
    
  • 4eck, 4eil - TgDHFR-TS + NADPH + dUMP + folate – Toxoplasma gondii
    
  • 4ky4, 4kya - TgDHFR-TS + NADPH + dUMP + aminopterin
    
  • 5t0l, 6n1t - TgDHFR-TS + NADPH + dUMP + folate derivative + inhibitor
    
  • 7fgw, 7fgx, 7fgy - TgDHFR-TS + NADPH + dUMP + inhibitor
    
  • 3hj3 - ChDHFR-TS + NADPH + dUMP + MTX
    
  • 4ky8, 4q0d, 4q0e, 6ojs, 6pf7, 6pf8, 6pf9, 6pfa, 6pfb, 6pfc, 6pfd, 6pfe, 6pff, 6pfg, 6pfh, 6pfi - ChDHFR-TS + NADPH + dUMP + MTX + pyrimidine derivative
    
  • 6aog, 6aoh, 6aoi - TgDHFR-TS + NADPH + dUMP + folate derivative + inhibitor
    
  • 6n1s - TgDHFR-TS (mutant) + NADPH + dUMP + folate derivative + inhibitor
    
  • 1e26 - PcDHFR-TS+NADP+folate - Plasmodium carinii
    
  • 1qzf - ChTcDHFR-TS – Cryptosporidium hominis
    
  • 3dl5, 3dl6, 2oip – ChDHFR-TS (mutant)
    
  • 3hj3 - ChDHFR-TS + NADPH + dUMP + MTX
    
  • 4ky8, 4q0d, 4q0e - ChDHFR-TS + NADPH + dUMP + MTX + pyrimidine derivative
    
  • 3i3r, 3kjr - BbDHFR-TS – Babesia bovis
    
  • 3k2h, 3nrr - BbDHFR-TS+NADPH+dUMP+inhibitor
    

• DHFR+antifolate inhibitors

• Binary complexes

• • 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, 7xi7 – hDHFR+pyrimidine derivatives
    
  • 3s7a - hDHFR+ inhibitor
    
  • 3l3r, 3gi2, 3ghc, 3ghv, 3ghw, 3oaf – hDHFR (mutant)+pyrimidine derivatives
    
  • 3n0h, 3s3v – hDHFR (mutant) +TMP
    
  • 3fra – SaDHFR (mutant)+iclaprim
    
  • 3sqy, 3sr5, 3srq, 3srr, 3srs, 3sru, 3srw, 4fgg, 4fgh – SaDHFR + inhibitor
    
  • 2w9h – SaDHFR+TMP
    
  • 3fl8 – BaDHFR+RAB1
    
  • 3fl9 – BaDHFR+TMP
    
  • 4elb, 4ele, 4elf, 4elg, 4elh – BaDHFR + inhibitor
    
  • 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, 6cqa, 6nxz, 6ny0, 7f3b, 7mqp, 7reb - EcDHFR+ inhibitor
    
  • 7nae – EcDHFR + TMP
    
  • 4eig, 4eiz – EcDHFR + antibody fragment
    
  • 2cig – MtDHFR+isoniazid derivative – Mycobacterium tuberculosis
    
  • 4klx - MtDHFR + ADP
    
  • 3tq8 - CbDHFR + TMP – Coxiella burnetii
    
  • 3tq9 – CbDHFR + MTX
    
  • 4qi9, 5hi6 - YpDHFR + MTX
    
  • 7myl - KpDHFR + TMP
    

• 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, 7reg, 7rgj, 7rgk – hDHFR + NADPH + pyrimidine inhibitor
    
  • 3sgy, 3sh2, 4tu5, 4xe6, 4xec, 5hf0, 5hf2, 5jg0, 6e4e, 6nd2, 6pbo, 7t7q, 7t7s - 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, 7k69, 7k6a, 7kac, 7ki8, 7ki9, [[7km7], 7km8, 7ka9] – MuDHFR + NADPH + pyrimidine derivative – Mycobacterium ulcerans
    
  • 7k68, 7k6a – MuDHFR (mutant) + NADPH + pyrimidine derivative
    
  • 7rgo – EcDHFR + NADPH + pyrimidine derivative
    
  • 7tj3 – SmDHFR + NADPH + pyrimidine derivative
    

• 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
    

• 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, 7mym, 7r6g - EcDHFR+NADPH+ TMP
    

• 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
    

• 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
    

• DHFR higher complexes

• • 5uio - EcDHFR + pyrimidine diamine +NADPH + monophosphateadenosine diphosphoribose + aminobenzyl carbonyl glutamate
    
  • 5uip - EcDHFR (mutant) + pyrimidine diamine +NADPH + monophosphateadenosine diphosphoribose + aminobenzyl carbonyl glutamate
    

• 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
    

• 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
    

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