4M8I
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![BU of 4m8i by Molmil](/molmil-images/mine/4m8i) | 1.43 Angstrom resolution crystal structure of cell division protein FtsZ (ftsZ) from Staphylococcus epidermidis RP62A in complex with GDP | 分子名称: | Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION | 著者 | Halavaty, A.S, Minasov, G, Winsor, J, Dubrovska, I, Filippova, E.V, Olsen, D.B, Therien, A, Shuvalova, L, Young, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2013-08-13 | 公開日 | 2013-09-04 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | 1.43 Angstrom resolution crystal structure of cell division protein FtsZ (ftsZ) from Staphylococcus epidermidis RP62A in complex with GDP To be Published
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7TE7
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![BU of 7te7 by Molmil](/molmil-images/mine/7te7) | Estrogen Receptor Alpha Ligand Binding Domain in Complex with RAD1901 | 分子名称: | (6R)-6-{2-[ethyl({4-[2-(ethylamino)ethyl]phenyl}methyl)amino]-4-methoxyphenyl}-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | 著者 | Joiner, C, Hancock, G, Young, K, Hosfield, D.J, Greene, G.L, Fanning, S.W. | 登録日 | 2022-01-04 | 公開日 | 2022-01-19 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Unconventional isoquinoline-based SERMs elicit fulvestrant-like transcriptional programs in ER+ breast cancer cells. NPJ Breast Cancer, 8, 2022
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6VN4
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![BU of 6vn4 by Molmil](/molmil-images/mine/6vn4) | USP7 IN COMPLEX WITH LIGAND COMPOUND 1 | 分子名称: | 3-({4-hydroxy-1-[(2R)-2-methyl-3-phenylpropanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one, Ubiquitin carboxyl-terminal hydrolase 7 | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | 登録日 | 2020-01-29 | 公開日 | 2020-04-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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7PU7
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![BU of 7pu7 by Molmil](/molmil-images/mine/7pu7) | DNA polymerase from M. tuberculosis | 分子名称: | DNA polymerase III subunit alpha, Template, ZINC ION, ... | 著者 | Borsellini, A, Lamers, M.H. | 登録日 | 2021-09-28 | 公開日 | 2022-02-23 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | 主引用文献 | DNA-Dependent Binding of Nargenicin to DnaE1 Inhibits Replication in Mycobacterium tuberculosis. Acs Infect Dis., 8, 2022
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4NLD
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![BU of 4nld by Molmil](/molmil-images/mine/4nld) | Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide | 分子名称: | (1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, ... | 著者 | Sheriff, S. | 登録日 | 2013-11-14 | 公開日 | 2014-03-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | 主引用文献 | Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase. J.Med.Chem., 57, 2014
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2GFX
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![BU of 2gfx by Molmil](/molmil-images/mine/2gfx) | |
2GFW
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![BU of 2gfw by Molmil](/molmil-images/mine/2gfw) | |
2GFY
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![BU of 2gfy by Molmil](/molmil-images/mine/2gfy) | |
2GFV
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![BU of 2gfv by Molmil](/molmil-images/mine/2gfv) | |
6VN2
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![BU of 6vn2 by Molmil](/molmil-images/mine/6vn2) | USP7 IN COMPLEX WITH LIGAND COMPOUND 18 | 分子名称: | 1-({7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl}methyl)-1H-pyrrole-2,5-dione, ACETATE ION, Ubiquitin carboxyl-terminal hydrolase 7 | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | 登録日 | 2020-01-29 | 公開日 | 2020-04-29 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (2.93 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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6VN3
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![BU of 6vn3 by Molmil](/molmil-images/mine/6vn3) | USP7 IN COMPLEX WITH LIGAND COMPOUND 23 | 分子名称: | 1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione, Ubiquitin carboxyl-terminal hydrolase 7 | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | 登録日 | 2020-01-29 | 公開日 | 2020-04-29 | 最終更新日 | 2020-06-17 | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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6VN6
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![BU of 6vn6 by Molmil](/molmil-images/mine/6vn6) | USP7 IN COMPLEX WITH LIGAND COMPOUND 14 | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION, [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | 登録日 | 2020-01-29 | 公開日 | 2020-04-29 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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6VN5
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![BU of 6vn5 by Molmil](/molmil-images/mine/6vn5) | USP7 IN COMPLEX WITH LIGAND COMPOUND 7 | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7, [(2R)-7-(2-aminopyridin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | 登録日 | 2020-01-29 | 公開日 | 2020-04-29 | 最終更新日 | 2020-06-10 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity. J.Med.Chem., 63, 2020
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3S1Y
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![BU of 3s1y by Molmil](/molmil-images/mine/3s1y) | AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) in complex with a beta-lactamase inhibitor | 分子名称: | Beta-lactamase, CHLORIDE ION, ISOPROPYL ALCOHOL, ... | 著者 | Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N. | 登録日 | 2011-05-16 | 公開日 | 2011-06-29 | 最終更新日 | 2013-06-26 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Side chain SAR of bicyclic Beta-lactamase inhibitors (BLIs). 2. N-Alkylated and open chain analogs of MK-8712 Bioorg.Med.Chem.Lett., 21, 2011
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2GFS
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![BU of 2gfs by Molmil](/molmil-images/mine/2gfs) | P38 Kinase Crystal Structure in complex with RO3201195 | 分子名称: | Mitogen-Activated Protein Kinase 14, [5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL](3-{[(2R)-2,3-DIHYDROXYPROPYL]OXY}PHENYL)METHANONE | 著者 | Harris, S.F, Bertrand, J, Villasenor, A. | 登録日 | 2006-03-23 | 公開日 | 2006-04-18 | 最終更新日 | 2024-02-14 | 実験手法 | X-RAY DIFFRACTION (1.752 Å) | 主引用文献 | Discovery of S-[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]-methanone (RO3201195), and Orally Bioavailable and Highly Selective Inhibitor of p38 Map Kinase J.Med.Chem., 49, 2006
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3S22
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![BU of 3s22 by Molmil](/molmil-images/mine/3s22) | AMP-C BETA-LACTAMASE (PSEUDOMONAS AERUGINOSA) in complex with an inhibitor | 分子名称: | Beta-lactamase, CHLORIDE ION, [(2S,3R)-2-formyl-1-{[4-(methylamino)butyl]carbamoyl}pyrrolidin-3-yl]sulfamic acid | 著者 | Scapin, G, Lu, J, Fitzgerald, P.M.D, Sharma, N. | 登録日 | 2011-05-16 | 公開日 | 2011-06-29 | 最終更新日 | 2013-06-26 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Side chain SAR of bicyclic Beta-lactamase inhibitors (BLIs). 2. N-Alkylated and open chain analogs of MK-8712 Bioorg.Med.Chem.Lett., 21, 2011
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2WZX
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![BU of 2wzx by Molmil](/molmil-images/mine/2wzx) | |
7UP2
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![BU of 7up2 by Molmil](/molmil-images/mine/7up2) | NDM1-inhibitor co-structure | 分子名称: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | 著者 | Scapin, G, Fischmann, T.O. | 登録日 | 2022-04-14 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
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7UP1
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![BU of 7up1 by Molmil](/molmil-images/mine/7up1) | NDM1-inhibitor co-structure | 分子名称: | (2M)-4'-methyl-2-(2H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, CADMIUM ION, Metallo beta-lactamase, ... | 著者 | Scapin, G, Fischmann, T.O. | 登録日 | 2022-04-14 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
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7UP3
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![BU of 7up3 by Molmil](/molmil-images/mine/7up3) | NDM1-inhibitor co-structure | 分子名称: | (3P)-4-[4-(hydroxymethyl)phenyl]-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CADMIUM ION, ... | 著者 | Scapin, G, Fischmann, T.O. | 登録日 | 2022-04-14 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
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7UOX
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![BU of 7uox by Molmil](/molmil-images/mine/7uox) | NDM1-inhibitor co-structure | 分子名称: | (2M)-4'-(hydroxymethyl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-ol, ACETATE ION, CADMIUM ION, ... | 著者 | Scapin, G, Fischmann, T.O. | 登録日 | 2022-04-14 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (0.99 Å) | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
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7UOY
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![BU of 7uoy by Molmil](/molmil-images/mine/7uoy) | NDM1-inhibitor co-structure | 分子名称: | (6P)-4-amino-6-(2H-tetrazol-5-yl)benzene-1,3-disulfonamide, CADMIUM ION, Metallo beta-lactamase, ... | 著者 | Scapin, G, Fischmann, T.O. | 登録日 | 2022-04-14 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | 主引用文献 | Rapid Evolution of a Fragment-like Molecule to Pan-Metallo-Beta-Lactamase Inhibitors: Initial Leads toward Clinical Candidates. J.Med.Chem., 65, 2022
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7UYB
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![BU of 7uyb by Molmil](/molmil-images/mine/7uyb) | Inhibitor bound VIM1 | 分子名称: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)-4-(trifluoromethyl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | 著者 | Fischmann, T.O, Scapin, G. | 登録日 | 2022-05-06 | 公開日 | 2023-05-24 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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7UYC
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![BU of 7uyc by Molmil](/molmil-images/mine/7uyc) | Inhibitor bound VIM1 | 分子名称: | (2P)-4'-(piperidin-4-yl)-4-[(piperidin-4-yl)methyl]-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, MAGNESIUM ION, ... | 著者 | Fischmann, T.O, Scapin, G. | 登録日 | 2022-05-06 | 公開日 | 2023-05-24 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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7UYA
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![BU of 7uya by Molmil](/molmil-images/mine/7uya) | Inhibitor bound VIM1 | 分子名称: | (2M)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide, Beta-lactamase VIM-1, ZINC ION | 著者 | Fischmann, T.O, Scapin, G. | 登録日 | 2022-05-06 | 公開日 | 2023-05-24 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.01 Å) | 主引用文献 | Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration. J.Med.Chem., 67, 2024
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