2W2G
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![BU of 2w2g by Molmil](/molmil-images/mine/2w2g) | Human SARS coronavirus unique domain | Descriptor: | NON-STRUCTURAL PROTEIN 3, SULFATE ION | Authors: | Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Kusov, Y, Hansen, G, Mesters, J.R, Schmidt, C.L, Hilgenfeld, R. | Deposit date: | 2008-10-30 | Release date: | 2009-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes. Plos Pathog., 5, 2009
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3ZVG
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![BU of 3zvg by Molmil](/molmil-images/mine/3zvg) | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 98 | Descriptor: | 3C PROTEASE, N-(tert-butoxycarbonyl)-O-tert-butyl-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013
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3ZVD
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![BU of 3zvd by Molmil](/molmil-images/mine/3zvd) | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 83 | Descriptor: | 3C PROTEASE, ETHYL (5S,8S,11R)-8-BENZYL-5-(2-TERT-BUTOXY-2-OXOETHYL)-3,6,9-TRIOXO-11-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}-1-PHENYL-2-OXA-4,7,10-TRIAZATETRADECAN-14-OATE | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013
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2WCT
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![BU of 2wct by Molmil](/molmil-images/mine/2wct) | human SARS coronavirus unique domain (triclinic form) | Descriptor: | NON-STRUCTURAL PROTEIN 3 | Authors: | Tan, J, Vonrhein, C, Smart, O.S, Bricogne, G, Bollati, M, Hansen, G, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2009-03-16 | Release date: | 2009-05-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | The Sars-Unique Domain (Sud) of Sars Coronavirus Contains Two Macrodomains that Bind G-Quadruplexes. Plos Pathog., 5, 2009
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3ZV8
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![BU of 3zv8 by Molmil](/molmil-images/mine/3zv8) | |
3ZVF
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![BU of 3zvf by Molmil](/molmil-images/mine/3zvf) | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 85 | Descriptor: | 3C PROTEASE, N-[(benzyloxy)carbonyl]-O-tert-butyl-L-seryl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013
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3ZVB
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![BU of 3zvb by Molmil](/molmil-images/mine/3zvb) | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 81 | Descriptor: | 3C PROTEASE, ETHYL (4R)-4-{[N-(TERT-BUTOXYCARBONYL)-L-PHENYLALANYL]AMINO}-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013
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3ZVE
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![BU of 3zve by Molmil](/molmil-images/mine/3zve) | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 84 | Descriptor: | 3C PROTEASE, O-tert-butyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | Deposit date: | 2011-07-24 | Release date: | 2012-08-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses. J.Virol., 87, 2013
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8XEP
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![BU of 8xep by Molmil](/molmil-images/mine/8xep) | |
1D46
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![BU of 1d46 by Molmil](/molmil-images/mine/1d46) | DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-100 DEGREES C, PIPERAZINE DOWN | Descriptor: | 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | Authors: | Quintana, J.R, Lipanov, A.A, Dickerson, R.E. | Deposit date: | 1991-06-04 | Release date: | 1992-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G. Biochemistry, 30, 1991
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6BSN
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![BU of 6bsn by Molmil](/molmil-images/mine/6bsn) | |
5UAV
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![BU of 5uav by Molmil](/molmil-images/mine/5uav) | Structure of human PYCR-1 complexed with NADPH and L-tetrahydrofuroic acid | Descriptor: | DI(HYDROXYETHYL)ETHER, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pyrroline-5-carboxylate reductase 1, ... | Authors: | Tanner, J.J. | Deposit date: | 2016-12-20 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1. J. Biol. Chem., 292, 2017
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5UAX
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![BU of 5uax by Molmil](/molmil-images/mine/5uax) | Structure of apo human PYCR-1 crystallized in space group C2 | Descriptor: | CHLORIDE ION, Pyrroline-5-carboxylate reductase 1, mitochondrial | Authors: | Tanner, J.J. | Deposit date: | 2016-12-20 | Release date: | 2017-03-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Resolving the cofactor-binding site in the proline biosynthetic enzyme human pyrroline-5-carboxylate reductase 1. J. Biol. Chem., 292, 2017
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7FGX
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![BU of 7fgx by Molmil](/molmil-images/mine/7fgx) | Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P39, NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 6-hexyl-5-phenyl-pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | Deposit date: | 2021-07-28 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
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7FGY
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![BU of 7fgy by Molmil](/molmil-images/mine/7fgy) | Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P40, NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | Deposit date: | 2021-07-28 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
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7FGW
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![BU of 7fgw by Molmil](/molmil-images/mine/7fgw) | Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with pyrimethamine, NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, BENZAMIDINE, ... | Authors: | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, Y, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | Deposit date: | 2021-07-28 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase. Acs Chem.Biol., 17, 2022
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5FL5
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![BU of 5fl5 by Molmil](/molmil-images/mine/5fl5) | Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[1-(4-methoxyphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide, CARBONIC ANHYDRASE IX, ... | Authors: | Leitans, J, Tars, K, Zalubovskis, R. | Deposit date: | 2015-10-21 | Release date: | 2015-11-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | An Efficient Expression and Crystallization System of the Cancer Asociated Carbonic Anhydrase Isoform Ix. J.Med.Chem., 58, 2015
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6JMW
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![BU of 6jmw by Molmil](/molmil-images/mine/6jmw) | Structure of the Chromium Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Chromium Protoporphyrin IX, ... | Authors: | Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-03-13 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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6JLV
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![BU of 6jlv by Molmil](/molmil-images/mine/6jlv) | Near-Atomic Resolution Structure of the CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, ... | Authors: | Stanfield, J.K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-03-07 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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3ET4
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![BU of 3et4 by Molmil](/molmil-images/mine/3et4) | Structure of Recombinant Haemophilus Influenzae E(P4) Acid Phosphatase | Descriptor: | MAGNESIUM ION, Outer membrane protein P4, NADP phosphatase, ... | Authors: | Tanner, J.J. | Deposit date: | 2008-10-06 | Release date: | 2008-10-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of Recombinant Haemophilus Influenzae E (P4) Acid Phosphatase
Reveals a New Member of the Haloacid Dehalogenase Superfamily. Biochemistry, 46, 2007
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3ET5
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![BU of 3et5 by Molmil](/molmil-images/mine/3et5) | |
1TJ2
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![BU of 1tj2 by Molmil](/molmil-images/mine/1tj2) | Crystal structure of E. coli PutA proline dehydrogenase domain (residues 86-669) complexed with acetate | Descriptor: | ACETATE ION, Bifunctional putA protein, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Tanner, J.J, Zhang, M, White, T.A, Schuermann, J.P, Baban, B.A, Becker, D.F. | Deposit date: | 2004-06-03 | Release date: | 2004-10-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structures of the Escherichia coli PutA proline dehydrogenase domain in complex with competitive inhibitors Biochemistry, 43, 2004
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2J4Y
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![BU of 2j4y by Molmil](/molmil-images/mine/2j4y) | Crystal structure of a rhodopsin stabilizing mutant expressed in mammalian cells | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RETINAL, RHODOPSIN | Authors: | Standfuss, J, Xie, G, Edwards, P.C, Burghammer, M, Oprian, D.D, Schertler, G.F.X. | Deposit date: | 2006-09-07 | Release date: | 2007-09-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Crystal Structure of a Thermally Stable Rhodopsin Mutant. J.Mol.Biol., 372, 2007
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8JFB
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![BU of 8jfb by Molmil](/molmil-images/mine/8jfb) | V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 4 (B21588), NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-[4-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Saepua, S, Thongpanchang, C, Yuthavong, Y, Kamchonwongpaisan, S, Hoarau, M. | Deposit date: | 2023-05-17 | Release date: | 2023-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy. Rsc Med Chem, 14, 2023
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8JFD
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![BU of 8jfd by Molmil](/molmil-images/mine/8jfd) | V1/S quadruple mutant Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 8 (B21594), NADPH and dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 3-[3-[[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]methyl]phenyl]benzoic acid, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | Authors: | Vanichtanankul, J, Saeyang, T, Vitsupakorn, D, Saepua, S, Thongpanchang, C, Yuthavong, Y, Kamchonwongpaisan, S, Hoarau, M. | Deposit date: | 2023-05-17 | Release date: | 2023-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of rigid biphenyl Plasmodium falciparum DHFR inhibitors using a fragment linking strategy. Rsc Med Chem, 14, 2023
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