4LUO
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![BU of 4luo by Molmil](/molmil-images/mine/4luo) | Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions | 分子名称: | 1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit | 著者 | Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejniczak, E.T, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J. | 登録日 | 2013-07-25 | 公開日 | 2013-12-11 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | 主引用文献 | Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach. J.Med.Chem., 56, 2013
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4I7N
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4I7P
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4HWO
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4HYI
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3HO2
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![BU of 3ho2 by Molmil](/molmil-images/mine/3ho2) | Structure of E.coli FabF(C163A) in complex with Platencin | 分子名称: | 2,4-dihydroxy-3-({3-[(2S,4aS,8S,8aR)-8-methyl-3-methylidene-7-oxo-1,3,4,7,8,8a-hexahydro-2H-2,4a-ethanonaphthalen-8-yl]propanoyl}amino)benzoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 著者 | Soisson, S.M, Parthasarathy, G. | 登録日 | 2009-06-01 | 公開日 | 2010-02-09 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Isolation, enzyme-bound structure and antibacterial activity of platencin A1 from Streptomyces platensis. Bioorg.Med.Chem.Lett., 19, 2009
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4I7K
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![BU of 4i7k by Molmil](/molmil-images/mine/4i7k) | T4 Lysozyme L99A/M102H with toluene bound | 分子名称: | 2-HYDROXYETHYL DISULFIDE, ACETATE ION, BETA-MERCAPTOETHANOL, ... | 著者 | Merski, M, Shoichet, B.K. | 登録日 | 2012-11-30 | 公開日 | 2013-03-27 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. J.Med.Chem., 56, 2013
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4N86
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![BU of 4n86 by Molmil](/molmil-images/mine/4n86) | Crystal structure of human transthyretin complexed with glabridin | 分子名称: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol, CALCIUM ION, Transthyretin | 著者 | Yokoyama, T, Kosaka, Y, Mizuguchi, M. | 登録日 | 2013-10-17 | 公開日 | 2014-02-19 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.001 Å) | 主引用文献 | Crystal structures of human transthyretin complexed with glabridin J.Med.Chem., 57, 2014
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4I7Q
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2WF0
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![BU of 2wf0 by Molmil](/molmil-images/mine/2wf0) | Human BACE-1 in complex with 4-ethyl-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-8-(2-oxo-1-pyrrolidinyl)-6-quinolinecarboxamide | 分子名称: | BETA-SECRETASE 1, N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[3-(TRIFLUOROMETHYL)BENZYL]AMINO}PROPYL]-4-ETHYL-8-(2-OXOPYRROLIDIN-1-YL)QUINOLINE-6-CARBOXAMIDE | 著者 | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | 登録日 | 2009-04-02 | 公開日 | 2009-05-19 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Second Generation of Bace-1 Inhibitors. Part 1: The Need for Improved Pharmacokinetics. Bioorg.Med.Chem.Lett., 19, 2009
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3B66
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![BU of 3b66 by Molmil](/molmil-images/mine/3b66) | Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-21 | 分子名称: | 4-{[(1R,2S)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino}-2-(trifluoromethyl)benzonitrile, Androgen receptor | 著者 | Bohl, C.E, Miller, D.D, Dalton, J.T. | 登録日 | 2007-10-27 | 公開日 | 2008-09-09 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators Bioorg.Med.Chem.Lett., 18, 2008
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3B67
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3KB7
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![BU of 3kb7 by Molmil](/molmil-images/mine/3kb7) | Crystal structure of Polo-like kinase 1 in complex with a pyrazoloquinazoline inhibitor | 分子名称: | 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide, L(+)-TARTARIC ACID, Serine/threonine-protein kinase PLK1, ... | 著者 | Bossi, R.T, Bertrand, J.A. | 登録日 | 2009-10-20 | 公開日 | 2010-05-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors J.Med.Chem., 53, 2010
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4D33
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![BU of 4d33 by Molmil](/molmil-images/mine/4d33) | Structure of bovine endothelial nitric oxide synthase heme domain in complex with (N1-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N2-(3- fluorophenethyl)ethane-1,2-diamine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, BETA-MERCAPTOETHANOL, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2014-10-20 | 公開日 | 2014-12-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.087 Å) | 主引用文献 | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase. J.Med.Chem., 58, 2015
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2GM9
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![BU of 2gm9 by Molmil](/molmil-images/mine/2gm9) | Structure of rabbit muscle glycogen phosphorylase in complex with thienopyrrole | 分子名称: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE, Glycogen phosphorylase, ... | 著者 | Otterbein, L.R, Pannifer, A.D, Tucker, J, Breed, J, Oikonomakos, N.G, Minshull, C, Rowsell, S, Pauptit, R.A. | 登録日 | 2006-04-06 | 公開日 | 2007-02-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies. Bioorg.Med.Chem.Lett., 16, 2006
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4N85
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3B65
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2B3E
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![BU of 2b3e by Molmil](/molmil-images/mine/2b3e) | Crystal structure of DB819-D(CGCGAATTCGCG)2 complex. | 分子名称: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', 6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE, MAGNESIUM ION | 著者 | Campbell, N.H, Evans, D.A, Lee, M.P, Parkinson, G.N, Neidle, S. | 登録日 | 2005-09-20 | 公開日 | 2005-11-22 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | 主引用文献 | Targeting the DNA minor groove with fused ring dicationic compounds: Comparison of in silico screening and a high-resolution crystal structure. Bioorg.Med.Chem.Lett., 16, 2006
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4IKS
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![BU of 4iks by Molmil](/molmil-images/mine/4iks) | Crystal structure of truncated (delta 1-89) human methionine aminopeptidase Type 1 in complex with N1-(5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)-N2-(6-(trifluoromethyl)pyridin-2-yl)ethane-1,2-diamine | 分子名称: | COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ... | 著者 | Addlagatta, A, Kishor, C, Arya, T. | 登録日 | 2012-12-28 | 公開日 | 2013-12-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases J.Med.Chem., 56, 2013
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4IKR
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![BU of 4ikr by Molmil](/molmil-images/mine/4ikr) | Crystal structure of Type 1 human methionine aminopeptidase in complex with 2-(4-(5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)piperazin-1-yl)ethanol | 分子名称: | 2-{4-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]piperazin-1-yl}ethanol, COBALT (II) ION, GLYCEROL, ... | 著者 | Addlagatta, A, Kishor, C, Arya, T. | 登録日 | 2012-12-28 | 公開日 | 2013-12-11 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases J.Med.Chem., 56, 2013
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2P95
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3B68
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3H6K
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2WEZ
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![BU of 2wez by Molmil](/molmil-images/mine/2wez) | Human BACE-1 in complex with 1-ethyl-N-((1S,2R)-2-hydroxy-3-(((3-(methyloxy)phenyl)methyl)amino)-1-(phenylmethyl)propyl)-4-(2-oxo-1- pyrrolidinyl)-1H-indole-6-carboxamide | 分子名称: | BETA-SECRETASE 1, N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-1-ETHYL-4-(2-OXOPYRROLIDIN-1-YL)-1H-INDOLE-6-CARBOXAMIDE | 著者 | Charrier, N, Clarke, B, Cutler, L, Demont, E, Dingwall, C, Dunsdon, R, Hawkins, J, Howes, C, Hubbard, J, Hussain, I, Maile, G, Matico, R, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Rowland, P, Soleil, V, Smith, K.J, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Wayne, G. | 登録日 | 2009-04-02 | 公開日 | 2009-05-19 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Second Generation of Bace-1 Inhibitors. Part 1: The Need for Improved Pharmacokinetics. Bioorg.Med.Chem.Lett., 19, 2009
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2GJ4
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![BU of 2gj4 by Molmil](/molmil-images/mine/2gj4) | Structure of rabbit muscle glycogen phosphorylase in complex with ligand | 分子名称: | (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, 2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE, Glycogen phosphorylase, ... | 著者 | Otterbein, L.R, Pannifer, A.D, Tucker, J, Breed, J, Oikonomakos, N.G, Rowsell, S, Pauptit, R.A, Claire, M. | 登録日 | 2006-03-30 | 公開日 | 2007-02-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies. Bioorg.Med.Chem.Lett., 16, 2006
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