7NP6
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![BU of 7np6 by Molmil](/molmil-images/mine/7np6) | ROR(gamma)t ligand binding domain in complex with allosteric ligand FM257 | 分子名称: | 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid, Nuclear receptor ROR-gamma | 著者 | Oerlemans, G.J.M, Somsen, B.A, de Vries, R.M.J.M, Meijer, F.A, Brunsveld, L. | 登録日 | 2021-02-26 | 公開日 | 2021-06-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Structure-Activity Relationship Studies of Trisubstituted Isoxazoles as Selective Allosteric Ligands for the Retinoic-Acid-Receptor-Related Orphan Receptor gamma t. J.Med.Chem., 64, 2021
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8DFC
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1EI2
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![BU of 1ei2 by Molmil](/molmil-images/mine/1ei2) | STRUCTURAL BASIS FOR RECOGNITION OF THE RNA MAJOR GROOVE IN THE TAU EXON 10 SPLICING REGULATORY ELEMENT BY AMINOGLYCOSIDE ANTIBIOTICS | 分子名称: | NEOMYCIN, TAU EXON 10 SRE RNA | 著者 | Varani, L, Spillantini, M.G, Goedert, M, Varani, G. | 登録日 | 2000-02-23 | 公開日 | 2000-03-06 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Structural basis for recognition of the RNA major groove in the tau exon 10 splicing regulatory element by aminoglycoside antibiotics. Nucleic Acids Res., 28, 2000
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6M2N
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![BU of 6m2n by Molmil](/molmil-images/mine/6m2n) | SARS-CoV-2 3CL protease (3CL pro) in complex with a novel inhibitor | 分子名称: | 3C-like proteinase, 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one | 著者 | Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C. | 登録日 | 2020-02-28 | 公開日 | 2020-04-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | 主引用文献 | Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients. Acta Pharmacol.Sin., 41, 2020
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8DFD
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1MT9
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![BU of 1mt9 by Molmil](/molmil-images/mine/1mt9) | Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy | 分子名称: | PHOSPHATE ION, PROTEASE RETROPEPSIN, p1-p6 Gag substrate decapeptide | 著者 | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | 登録日 | 2002-09-20 | 公開日 | 2003-01-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Viability of drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy J.Virol., 77, 2003
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1MRL
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![BU of 1mrl by Molmil](/molmil-images/mine/1mrl) | Crystal structure of streptogramin A acetyltransferase with dalfopristin | 分子名称: | 5-(2-DIETHYLAMINO-ETHANESULFONYL)-21-HYDROXY-10-ISOPROPYL-11,19-DIMETHYL-9,26-DIOXA-3,15,28-TRIAZA-TRICYCLO[23.2.1.00,255]OCTACOSA-1(27),12,17,19,25(28)-PENTAENE-2,8,14,23-TETRAONE, Streptogramin A acetyltransferase | 著者 | Kehoe, L.E, Snidwongse, J, Courvalin, P, Rafferty, J.B, Murray, I.A. | 登録日 | 2002-09-18 | 公開日 | 2003-08-26 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structural Basis of Synercid (Quinupristin-Dalfopristin) Resistance in Gram-positive Bacterial Pathogens J.Biol.Chem., 278, 2003
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1E9X
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1W7G
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![BU of 1w7g by Molmil](/molmil-images/mine/1w7g) | Alpha-thrombin complex with sulfated hirudin (residues 54-65) and L- Arginine template inhibitor CS107 | 分子名称: | HIRUDIN I, N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE, THROMBIN | 著者 | Remiche, J, Sauvage, E, Herman, R, Charlier, P. | 登録日 | 2004-09-02 | 公開日 | 2006-05-24 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Design, Synthesis and Evaluation of Graftable Thrombin Inhibitors for the Preparation of Blood-Compatible Polymer Materials. Org.Biomol.Chem., 3, 2005
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1EF2
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![BU of 1ef2 by Molmil](/molmil-images/mine/1ef2) | CRYSTAL STRUCTURE OF MANGANESE-SUBSTITUTED KLEBSIELLA AEROGENES UREASE | 分子名称: | MANGANESE (II) ION, UREASE ALPHA SUBUNIT, UREASE BETA SUBUNIT, ... | 著者 | Yamaguchi, K, Cosper, N.J, Stalhandske, C, Scott, R.A, Pearson, M.A, Karplus, P.A, Hausinger, R.P. | 登録日 | 2000-02-05 | 公開日 | 2000-03-09 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Characterization of metal-substituted Klebsiella aerogenes urease. J.Biol.Inorg.Chem., 4, 1999
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1EC0
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![BU of 1ec0 by Molmil](/molmil-images/mine/1ec0) | HIV-1 protease in complex with the inhibitor bea403 | 分子名称: | HIV-1 PROTEASE, N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | 著者 | Unge, T. | 登録日 | 2000-01-25 | 公開日 | 2002-06-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Symmetric fluoro-substituted diol-based HIV protease inhibitors. Ortho-fluorinated and meta-fluorinated P1/P1'-benzyloxy side groups significantly improve the antiviral activity and preserve binding efficacy Eur.J.Biochem., 271, 2004
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4Q9N
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![BU of 4q9n by Molmil](/molmil-images/mine/4q9n) | Crystal structure of Chlamydia trachomatis enoyl-ACP reductase (FabI) in complex with NADH and AFN-1252 | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-[acyl-carrier-protein] reductase [NADH], N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide | 著者 | Yao, J, Abdelrahman, Y, Robertson, R.M, Cox, J.V, Belland, R.J, White, S.W, Rock, C.O. | 登録日 | 2014-05-01 | 公開日 | 2014-06-25 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.795 Å) | 主引用文献 | Type II Fatty Acid Synthesis Is Essential for the Replication of Chlamydia trachomatis. J.Biol.Chem., 289, 2014
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1W6F
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![BU of 1w6f by Molmil](/molmil-images/mine/1w6f) | Arylamine N-acetyltransferase from Mycobacterium smegmatis with the anti-tubercular drug isoniazid bound in the active site. | 分子名称: | 4-(DIAZENYLCARBONYL)PYRIDINE, ARYLAMINE N-ACETYLTRANSFERASE | 著者 | Sandy, J, Holton, S, Fullham, E, Sim, E, Noble, M.E.M. | 登録日 | 2004-08-17 | 公開日 | 2005-02-23 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Binding of the Anti-Tubercular Drug Isoniazid to the Arylamine N-Acetyltransferase Protein from Mycobacterium Smegmatis Protein Sci., 14, 2005
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4PYK
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![BU of 4pyk by Molmil](/molmil-images/mine/4pyk) | human COMT, double domain swap | 分子名称: | CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ... | 著者 | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2014-03-27 | 公開日 | 2014-06-11 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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1EXA
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![BU of 1exa by Molmil](/molmil-images/mine/1exa) | ENANTIOMER DISCRIMINATION ILLUSTRATED BY CRYSTAL STRUCTURES OF THE HUMAN RETINOIC ACID RECEPTOR HRARGAMMA LIGAND BINDING DOMAIN: THE COMPLEX WITH THE ACTIVE R-ENANTIOMER BMS270394. | 分子名称: | DODECYL-ALPHA-D-MALTOSIDE, R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-TETRAMETHYL-5,6,7,8,-TETRAHYDRO-NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID, RETINOIC ACID RECEPTOR GAMMA-2 | 著者 | Klaholz, B.P, Mitschler, A, Belema, M, Zusi, C, Moras, D, Structural Proteomics in Europe (SPINE) | 登録日 | 2000-05-02 | 公開日 | 2000-06-09 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | 主引用文献 | Enantiomer discrimination illustrated by high-resolution crystal structures of the human nuclear receptor hRARgamma. Proc.Natl.Acad.Sci.USA, 97, 2000
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1MR9
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![BU of 1mr9 by Molmil](/molmil-images/mine/1mr9) | Crystal structure of Streptogramin A Acetyltransferase with acetyl-CoA bound | 分子名称: | ACETYL COENZYME *A, Streptogramin A Acetyltransferase | 著者 | Kehoe, L.E, Snidwongse, J, Courvalin, P, Rafferty, J.B, Murray, I.A. | 登録日 | 2002-09-18 | 公開日 | 2003-08-26 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural Basis of Synercid (Quinupristin-Dalfopristin) Resistance in Gram-positive Bacterial Pathogens J.Biol.Chem., 278, 2003
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6M2Q
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![BU of 6m2q by Molmil](/molmil-images/mine/6m2q) | SARS-CoV-2 3CL protease (3CL pro) apo structure (space group C21) | 分子名称: | 3C-like proteinase | 著者 | Su, H.X, Zhao, W.F, Li, M.J, Xie, H, Xu, Y.C. | 登録日 | 2020-02-28 | 公開日 | 2020-04-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Anti-SARS-CoV-2 activities in vitro of Shuanghuanglian preparations and bioactive ingredients. Acta Pharmacol.Sin., 41, 2020
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1EC3
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![BU of 1ec3 by Molmil](/molmil-images/mine/1ec3) | HIV-1 protease in complex with the inhibitor MSA367 | 分子名称: | HIV-1 PROTEASE, N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VALINYL-AMINOMETHANYL-PYRIDINE] | 著者 | Unge, T. | 登録日 | 2000-01-25 | 公開日 | 2002-06-26 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors Eur.J.Biochem., 270, 2003
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1EPR
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![BU of 1epr by Molmil](/molmil-images/mine/1epr) | ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-135,040 | 分子名称: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide | 著者 | Badasso, M, Crawford, M, Cooper, J.B, Blundell, T.L. | 登録日 | 1994-07-27 | 公開日 | 1994-12-20 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | A structural comparison of 21 inhibitor complexes of the aspartic proteinase from Endothia parasitica. Protein Sci., 3, 1994
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1W5X
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![BU of 1w5x by Molmil](/molmil-images/mine/1w5x) | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | 分子名称: | (2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]HEXAN EDIAMIDE, POL POLYPROTEIN | 著者 | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | 登録日 | 2004-08-10 | 公開日 | 2004-12-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
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6MEL
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![BU of 6mel by Molmil](/molmil-images/mine/6mel) | Succinyl-CoA synthase from Campylobacter jejuni | 分子名称: | CHLORIDE ION, CITRIC ACID, Succinate--CoA ligase [ADP-forming] subunit beta, ... | 著者 | Osipiuk, J, Maltseva, N, Jedrzejczak, R, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-09-06 | 公開日 | 2018-09-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Succinyl-CoA synthase from Campylobacter jejuni to be published
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1MT8
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![BU of 1mt8 by Molmil](/molmil-images/mine/1mt8) | Viability of a drug-resistant HIV-1 protease mutant: structural insights for better antiviral therapy | 分子名称: | ACETATE ION, Capsid-p2 substrate peptide of HIV-1 Gag polyprotein, PROTEASE RETROPEPSIN | 著者 | Prabu-Jeyabalan, M, Nalivaika, E.A, King, N.M, Schiffer, C.A. | 登録日 | 2002-09-20 | 公開日 | 2003-01-07 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Viability of drug-resistant human immunodeficiency virus type 1 protease variant: structural insights for better antiviral therapy J.Virol., 77, 2003
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1EHJ
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![BU of 1ehj by Molmil](/molmil-images/mine/1ehj) | A PROTON-NMR INVESTIGATION OF THE FULLY REDUCED CYTOCHROME C7 FROM DESULFUROMONAS ACETOXIDANS | 分子名称: | CYTOCHROME C7, HEME C | 著者 | Assfalg, M, Banci, L, Bertini, I, Bruschi, M, Giudici-Orticoni, M.T. | 登録日 | 2000-02-21 | 公開日 | 2000-05-10 | 最終更新日 | 2022-02-16 | 実験手法 | SOLUTION NMR | 主引用文献 | A proton-NMR investigation of the fully reduced cytochrome c7 from Desulfuromonas acetoxidans. Comparison between the reduced and the oxidized forms. Eur.J.Biochem., 266, 1999
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1W5V
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![BU of 1w5v by Molmil](/molmil-images/mine/1w5v) | HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor | 分子名称: | HIV-1 PROTEASE, N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | 著者 | Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T. | 登録日 | 2004-08-10 | 公開日 | 2004-12-01 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy Eur.J.Biochem., 271, 2004
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4PYM
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![BU of 4pym by Molmil](/molmil-images/mine/4pym) | humanized rat apo-COMT bound to sulphate | 分子名称: | Catechol O-methyltransferase, POTASSIUM ION, SULFATE ION | 著者 | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | 登録日 | 2014-03-27 | 公開日 | 2014-06-11 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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