7ZAV
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![BU of 7zav by Molmil](/molmil-images/mine/7zav) | GPC3-Unc5D octamer structure and role in cell migration | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3 | 著者 | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | 登録日 | 2022-03-22 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
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7ZA1
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![BU of 7za1 by Molmil](/molmil-images/mine/7za1) | GPC3-Unc5D octamer structure and role in cell migration | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ... | 著者 | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | 登録日 | 2022-03-21 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (4.1 Å) | 主引用文献 | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
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7ZA3
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![BU of 7za3 by Molmil](/molmil-images/mine/7za3) | GPC3-Unc5D octamer structure and role in cell migration | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glypican-3, ... | 著者 | Akkermans, O, Delloye-Bourgeois, C, Peregrina, C, Carrasquero, M, Kokolaki, M, Berbeira-Santana, M, Chavent, M, Reynaud, F, Ritu, R, Agirre, J, Aksu, M, White, E, Lowe, E, Ben Amar, D, Zaballa, S, Huo, J, Pakos, I, McCubbin, P, Comoletti, D, Owens, R, Robinson, C, Castellani, V, del Toro, D, Seiradake, E. | 登録日 | 2022-03-21 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (4 Å) | 主引用文献 | GPC3-Unc5 receptor complex structure and role in cell migration. Cell, 185, 2022
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5IA4
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![BU of 5ia4 by Molmil](/molmil-images/mine/5ia4) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with foretinib (XL880) | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2, N-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.797 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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8CNK
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8CQC
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8CQD
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5I9U
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![BU of 5i9u by Molmil](/molmil-images/mine/5i9u) | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase | 分子名称: | 1,2-ETHANEDIOL, Ephrin type-A receptor 2 | 著者 | Kudlinzki, D, Linhard, V.L, Gande, S.L, Sreeramulu, S, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H. | 登録日 | 2016-02-21 | 公開日 | 2016-11-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.889 Å) | 主引用文献 | Chemical Proteomics and Structural Biology Define EPHA2 Inhibition by Clinical Kinase Drugs. ACS Chem. Biol., 11, 2016
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7ZNY
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![BU of 7zny by Molmil](/molmil-images/mine/7zny) | Cryo-EM structure of the canine distemper virus tetrameric attachment glycoprotein | 分子名称: | Hemagglutinin glycoprotein | 著者 | Kalbermatter, D, Jeckelmann, J.-M, Wyss, M, Plattet, P, Fotiadis, D. | 登録日 | 2022-04-23 | 公開日 | 2023-02-08 | 最終更新日 | 2023-02-15 | 実験手法 | ELECTRON MICROSCOPY (3.26 Å) | 主引用文献 | Structure and supramolecular organization of the canine distemper virus attachment glycoprotein. Proc.Natl.Acad.Sci.USA, 120, 2023
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5LKI
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![BU of 5lki by Molmil](/molmil-images/mine/5lki) | Cryo-EM structure of the Tc toxin TcdA1 in its pore state | 分子名称: | TcdA1 | 著者 | Gatsogiannis, C, Merino, F, Prumbaum, D, Roderer, D, Leidreiter, F, Meusch, D, Raunser, S. | 登録日 | 2016-07-22 | 公開日 | 2016-08-31 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.46 Å) | 主引用文献 | Membrane insertion of a Tc toxin in near-atomic detail. Nat.Struct.Mol.Biol., 23, 2016
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6V05
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![BU of 6v05 by Molmil](/molmil-images/mine/6v05) | Cryo-EM structure of a substrate-engaged Bam complex | 分子名称: | Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamA,Outer membrane protein assembly factor BamA,Outer membrane protein assembly factor BamA,Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ... | 著者 | Tomasek, D, Rawson, S, Lee, J, Wzorek, J.S, Harrison, S.C, Li, Z, Kahne, D. | 登録日 | 2019-11-18 | 公開日 | 2020-06-10 | 最終更新日 | 2020-07-29 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Structure of a nascent membrane protein as it folds on the BAM complex. Nature, 583, 2020
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5IOI
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![BU of 5ioi by Molmil](/molmil-images/mine/5ioi) | X-RAY STRUCTURE OF THE N-TERMINAL DOMAIN OF HUMAN DOUBLECORTIN | 分子名称: | Neuronal migration protein doublecortin | 著者 | Ruf, A, Benz, J, Burger, D, D'Arcy, B, Debulpaep, M, Di Lello, P, Fry, D, Huber, W, Kremer, T, Laeremans, T, Matile, H, Ross, A, Rudolph, M.G, Rufer, A.C, Sharma, A, Steinmetz, M.O, Steyaert, J, Schoch, G, Stihle, M, Thoma, R. | 登録日 | 2016-03-08 | 公開日 | 2016-03-23 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Crystal Structures of the Human Doublecortin C- and N-terminal Domains in Complex with Specific Antibodies. J.Biol.Chem., 291, 2016
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2X5O
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![BU of 2x5o by Molmil](/molmil-images/mine/2x5o) | Discovery of Novel 5-Benzylidenerhodanine- and 5-Benzylidene- thiazolidine-2,4-dione Inhibitors of MurD Ligase | 分子名称: | AZIDE ION, CHLORIDE ION, N-({3-[({4-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL}AMINO)METHYL]PHENYL}CARBONYL)-D-GLUTAMIC ACID, ... | 著者 | Zidar, N, Tomasic, T, Sink, R, Rupnik, V, Kovac, A, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Gobec, S, Zega, A, Peterlin-Masic, L, Kikelja, D. | 登録日 | 2010-02-10 | 公開日 | 2010-09-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | Discovery of novel 5-benzylidenerhodanine and 5-benzylidenethiazolidine-2,4-dione inhibitors of MurD ligase. J. Med. Chem., 53, 2010
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2WPA
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![BU of 2wpa by Molmil](/molmil-images/mine/2wpa) | Optimisation of 6,6-Dimethyl Pyrrolo 3,4-c pyrazoles: Identification of PHA-793887, a Potent CDK Inhibitor Suitable for Intravenous Dosing | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, N-{6,6-DIMETHYL-5-[(1-METHYLPIPERIDIN-4-YL)CARBONYL]-1,4,5,6-TETRAHYDROPYRROLO[3,4-C]PYRAZOL-3-YL}-3-METHYLBUTANAMIDE, ... | 著者 | Brasca, M.G, Albanese, C, Alzani, R, Amici, R, Avanzi, N, Ballinari, D, Bischoff, J, Borghi, D, Casale, E, Croci, V, Fiorentini, F, Isacchi, A, Mercurio, C, Nesi, M, Orsini, P, Pastori, W, Pesenti, E, Pevarello, P, Roussel, P, Varasi, M, Volpi, D, Vulpetti, A, Ciomei, M. | 登録日 | 2009-08-03 | 公開日 | 2010-02-23 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | 主引用文献 | Optimization of 6,6-Dimethyl Pyrrolo[3,4-C]Pyrazoles: Identification of Pha-793887, a Potent Cdk Inhibitor Suitable for Intravenous Dosing. Bioorg.Med.Chem., 18, 2010
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5IQ5
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![BU of 5iq5 by Molmil](/molmil-images/mine/5iq5) | NMR solution structure of Mayaro virus macro domain | 分子名称: | Macro domain | 著者 | Melekis, E, Tsika, A.C, Bentrop, D, Papageorgiou, N, Coutard, B, Spyroulias, G.A. | 登録日 | 2016-03-10 | 公開日 | 2017-12-20 | 最終更新日 | 2024-06-19 | 実験手法 | SOLUTION NMR | 主引用文献 | Deciphering the Nucleotide and RNA Binding Selectivity of the Mayaro Virus Macro Domain. J.Mol.Biol., 431, 2019
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6V4P
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![BU of 6v4p by Molmil](/molmil-images/mine/6v4p) | Structure of the integrin AlphaIIbBeta3-Abciximab complex | 分子名称: | Abciximab, heavy chain, light chain, ... | 著者 | Nesic, D, Zhang, Y, Spasic, A, Li, J, Provasi, D, Filizola, M, Walz, T, Coller, B.S. | 登録日 | 2019-11-28 | 公開日 | 2020-02-05 | 最終更新日 | 2020-03-11 | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | 主引用文献 | Cryo-Electron Microscopy Structure of the alpha IIb beta 3-Abciximab Complex. Arterioscler Thromb Vasc Biol., 40, 2020
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1FCY
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![BU of 1fcy by Molmil](/molmil-images/mine/1fcy) | ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARBETA/GAMMA-SELECTIVE RETINOID CD564 | 分子名称: | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALENE-2-CARBONYL)-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1 | 著者 | Klaholz, B.P, Mitschler, A, Moras, D, Structural Proteomics in Europe (SPINE) | 登録日 | 2000-07-19 | 公開日 | 2000-09-11 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | 主引用文献 | Structural basis for isotype selectivity of the human retinoic acid nuclear receptor. J.Mol.Biol., 302, 2000
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2VIE
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![BU of 2vie by Molmil](/molmil-images/mine/2vie) | Human BACE-1 in complex with N-((1S,2R)-1-benzyl-2-hydroxy-3-((1,1,5- trimethylhexyl)amino)propyl)-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl) benzamide | 分子名称: | BETA-SECRETASE 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(1,1,5-trimethylhexyl)amino]propyl}-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | 著者 | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | 登録日 | 2007-11-30 | 公開日 | 2008-01-29 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character. Bioorg.Med.Chem.Lett., 18, 2008
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8RIJ
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![BU of 8rij by Molmil](/molmil-images/mine/8rij) | Discovery of the first orally bioavailable ADAMTS7 inhibitor BAY-9835 | 分子名称: | CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Schafer, M, Meibom, D, Wasnaire, P, Beyer, K, Broehl, A, Cancho-Grande, Y, Elowe, N, Henninger, K, Johannes, S, Jungmann, N, Krainz, T, Lindner, N, Maassen, S, MacDonald, B, Menshykau, D, Mittendorf, J, Sanchez, G, Stefan, E, Torge, A, Xing, Y, Zubov, D. | 登録日 | 2023-12-18 | 公開日 | 2024-02-21 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | BAY-9835: Discovery of the First Orally Bioavailable ADAMTS7 Inhibitor. J.Med.Chem., 67, 2024
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6MH2
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![BU of 6mh2 by Molmil](/molmil-images/mine/6mh2) | Structure of Herceptin Fab without antigen | 分子名称: | Herceptin Fab arm heavy chain, Herceptin Fab arm light chain | 著者 | Luthra, A, Langley, D.B, Christie, M, Christ, D. | 登録日 | 2018-09-17 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Human Antibody Bispecifics through Phage Display Selection. Biochemistry, 58, 2019
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2VJ7
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![BU of 2vj7 by Molmil](/molmil-images/mine/2vj7) | Human BACE-1 in complex with 3-(ethylamino)-N-((1S,2R)-2-hydroxy-1-(phenylmethyl)-3-(((3-(trifluoromethyl)phenyl)methyl)amino)propyl)-5-(2-oxo-1-pyrrolidinyl)benzamide | 分子名称: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(trifluoromethyl)benzyl]amino}propyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | 著者 | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | 登録日 | 2007-12-06 | 公開日 | 2008-01-29 | 最終更新日 | 2019-05-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character. Bioorg.Med.Chem.Lett., 18, 2008
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1FD0
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![BU of 1fd0 by Molmil](/molmil-images/mine/1fd0) | ISOTYPE SELECTIVITY OF THE HUMAN RETINOIC ACID NUCLEAR RECEPTOR HRAR: THE COMPLEX WITH THE RARGAMMA-SELECTIVE RETINOID SR11254 | 分子名称: | 6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTALEN-2-YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID, DODECYL-ALPHA-D-MALTOSIDE, RETINOIC ACID RECEPTOR GAMMA-1 | 著者 | Klaholz, B.P, Moras, D, Structural Proteomics in Europe (SPINE) | 登録日 | 2000-07-19 | 公開日 | 2002-09-27 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | C-H...O hydrogen bonds in the nuclear receptor RARgamma--a potential tool for drug selectivity. Structure, 10, 2002
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6N4N
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![BU of 6n4n by Molmil](/molmil-images/mine/6n4n) | Crystal structure of the designed protein DNCR2/danoprevir/NS3a complex | 分子名称: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, NS3 protease, Rosetta-designed danoprevir/NS3a complex reader 2, ... | 著者 | Wang, Z, Foight, G.W, Baker, D, Maly, D.J. | 登録日 | 2018-11-19 | 公開日 | 2019-09-11 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | Multi-input chemical control of protein dimerization for programming graded cellular responses. Nat.Biotechnol., 37, 2019
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5JMX
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![BU of 5jmx by Molmil](/molmil-images/mine/5jmx) | Crystal Structure of BcII metallo-beta-lactamase in complex with DZ-305 | 分子名称: | (2Z)-3-(4-fluorophenyl)-2-sulfanylprop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | 著者 | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, Brem, J. | 登録日 | 2016-04-29 | 公開日 | 2017-05-24 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases. Bioorg. Med. Chem., 26, 2018
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6MXC
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