4Y0O
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![BU of 4y0o by Molmil](/molmil-images/mine/4y0o) | Crystal structure of OXA-58, a carbapenem hydrolyzing Class D beta-lactamase from Acinetobacter baumanii. | 分子名称: | Beta-lactamase | 著者 | Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P. | 登録日 | 2015-02-06 | 公開日 | 2016-01-13 | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | 主引用文献 | Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii. Antimicrob.Agents Chemother., 60, 2015
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4Y0U
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![BU of 4y0u by Molmil](/molmil-images/mine/4y0u) | Crystal Structure of 6Alpha-Hydroxymethylpenicillanate Complexed with OXA-58, a Carbapenem hydrolyzing Class D betalactamase from Acinetobacter baumanii. | 分子名称: | 2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID, Beta-lactamase | 著者 | Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P. | 登録日 | 2015-02-06 | 公開日 | 2016-01-13 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii. Antimicrob.Agents Chemother., 60, 2015
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4Y0T
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![BU of 4y0t by Molmil](/molmil-images/mine/4y0t) | Crystal structure of apo form of OXA-58, a Carbapenem hydrolyzing Class D beta-lactamase from Acinetobacter baumanii (P21, 4mol/ASU) | 分子名称: | Beta-lactamase | 著者 | Pratap, S, Katiki, M, Gill, P, Golemi-Kotra, D, Kumar, P. | 登録日 | 2015-02-06 | 公開日 | 2016-01-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Active-Site Plasticity Is Essential to Carbapenem Hydrolysis by OXA-58 Class D beta-Lactamase of Acinetobacter baumannii. Antimicrob.Agents Chemother., 60, 2015
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1WAN
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![BU of 1wan by Molmil](/molmil-images/mine/1wan) | DNA DTA TRIPLEX, NMR, 7 STRUCTURES | 分子名称: | DNA (5'-D(*AP*GP*AP*TP*AP*GP*AP*AP*CP*CP*CP*CP*TP*TP*CP*TP*AP*TP*CP*TP*TP*AP*TP*AP*TP*CP*TP*(D3)P*TP*CP*TP*T)-3') | 著者 | Wang, E, Koshlap, K.M, Gillespie, P, Dervan, P.B, Feigon, J. | 登録日 | 1996-01-14 | 公開日 | 1996-07-11 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of a pyrimidine-purine-pyrimidine triplex containing the sequence-specific intercalating non-natural base D3. J.Mol.Biol., 257, 1996
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8S9H
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![BU of 8s9h by Molmil](/molmil-images/mine/8s9h) | Crystal structure of monkey TLR7 ectodomain with compound 14 | 分子名称: | (3S)-3-{[5-amino-1-({3-methoxy-5-[1-(oxan-4-yl)piperidin-4-yl]pyridin-2-yl}methyl)-1H-pyrazolo[4,3-d]pyrimidin-7-yl]amino}hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Critton, D.A. | 登録日 | 2023-03-28 | 公開日 | 2024-02-07 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.437 Å) | 主引用文献 | Identification and Optimization of Small Molecule Pyrazolopyrimidine TLR7 Agonists for Applications in Immuno-oncology. Acs Med.Chem.Lett., 15, 2024
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6W9H
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![BU of 6w9h by Molmil](/molmil-images/mine/6w9h) | |
6W9I
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![BU of 6w9i by Molmil](/molmil-images/mine/6w9i) | |
6XAE
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![BU of 6xae by Molmil](/molmil-images/mine/6xae) | SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS | 分子名称: | Nuclear receptor ROR-gamma, trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid | 著者 | Sack, J.S. | 登録日 | 2020-06-04 | 公開日 | 2020-06-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.257 Å) | 主引用文献 | Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists. Bioorg.Med.Chem.Lett., 30, 2020
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5S9R
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![BU of 5s9r by Molmil](/molmil-images/mine/5s9r) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | 分子名称: | 1,2-ETHANEDIOL, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | 著者 | Sheriff, S. | 登録日 | 2021-04-01 | 公開日 | 2021-09-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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5S9O
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![BU of 5s9o by Molmil](/molmil-images/mine/5s9o) | CRYSTAL STRUCTURE OF THE HUMAN BRD2 BD1 BROMODOMAIN IN COMPLEX WITH 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide | 分子名称: | 1,2-ETHANEDIOL, 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide, Bromodomain-containing protein 2 | 著者 | Sheriff, S. | 登録日 | 2021-04-01 | 公開日 | 2021-09-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | 主引用文献 | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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5S9P
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![BU of 5s9p by Molmil](/molmil-images/mine/5s9p) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide | 分子名称: | 1,2-ETHANEDIOL, 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | 著者 | Sheriff, S. | 登録日 | 2021-04-01 | 公開日 | 2021-09-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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5S9Q
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![BU of 5s9q by Molmil](/molmil-images/mine/5s9q) | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide | 分子名称: | 1,2-ETHANEDIOL, 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | 著者 | Sheriff, S. | 登録日 | 2021-04-01 | 公開日 | 2021-09-29 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design. J.Med.Chem., 64, 2021
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7G1E
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![BU of 7g1e by Molmil](/molmil-images/mine/7g1e) | Crystal Structure of human FABP4 in complex with 3-[(2-phenylphenoxy)methyl]benzoic acid | 分子名称: | 3-{[([1,1'-biphenyl]-2-yl)oxy]methyl}benzoic acid, Fatty acid-binding protein, adipocyte, ... | 著者 | Ehler, A, Benz, J, Obst, U, Gillespie, P, Rudolph, M.G. | 登録日 | 2023-04-27 | 公開日 | 2023-06-14 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | 主引用文献 | Crystal Structure of a human FABP4 complex To be published
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1D5M
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![BU of 1d5m by Molmil](/molmil-images/mine/1d5m) | X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDE AND SEB | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, ... | 著者 | Swain, A.L, Crowther, R, Kammlott, U. | 登録日 | 1999-10-07 | 公開日 | 2000-06-28 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures. J.Med.Chem., 43, 2000
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1D5X
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![BU of 1d5x by Molmil](/molmil-images/mine/1d5x) | X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH DIPEPTIDE MIMETIC AND SEB | 分子名称: | DIPEPTIDE MIMETIC INHIBITOR, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN | 著者 | Swain, A, Crowther, R, Kammlott, U. | 登録日 | 1999-10-12 | 公開日 | 2000-06-28 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures. J.Med.Chem., 43, 2000
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1D5Z
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![BU of 1d5z by Molmil](/molmil-images/mine/1d5z) | X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDOMIMETIC AND SEB | 分子名称: | PROTEIN (ENTEROTOXIN TYPE B), PROTEIN (HLA CLASS II HISTOCOMPATIBILITY ANTIGEN), PROTEIN (PEPTIDOMIMETIC INHIBITOR) | 著者 | Swain, A, Crowther, R, Kammlott, U. | 登録日 | 1999-10-12 | 公開日 | 2000-06-28 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures. J.Med.Chem., 43, 2000
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1D6E
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![BU of 1d6e by Molmil](/molmil-images/mine/1d6e) | CRYSTAL STRUCTURE OF HLA-DR4 COMPLEX WITH PEPTIDOMIMETIC AND SEB | 分子名称: | ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN, PEPTIDOMIMETIC INHIBITOR | 著者 | Swain, A, Crowther, R, Kammlott, U. | 登録日 | 1999-10-13 | 公開日 | 2000-06-28 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures. J.Med.Chem., 43, 2000
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2FU2
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![BU of 2fu2 by Molmil](/molmil-images/mine/2fu2) | Crystal structure of protein SPy2152 from Streptococcus pyogenes | 分子名称: | Hypothetical protein SPy2152 | 著者 | Chang, C, Cymborowski, M, Otwinowski, Z, Minor, W, Lezondra, L.-E, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | 登録日 | 2006-01-25 | 公開日 | 2006-03-07 | 最終更新日 | 2022-04-13 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | The structure of pyogenecin immunity protein, a novel bacteriocin-like immunity protein from Streptococcus pyogenes. Bmc Struct.Biol., 9, 2009
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