5HNV
 
 | | Crystal structure of PpkA | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Li, P.P, Ran, T.T, Wang, W.W. | | 登録日 | 2016-01-19 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism.
Biochem.J., 475, 2018
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6F2N
 | | Crystal structure of BCII Metallo-beta-lactamase in complex with KDU197 | | 分子名称: | (~{Z})-3-[2-(naphthalen-2-ylmethyl)phenyl]-2-sulfanyl-prop-2-enoic acid, Metallo-beta-lactamase type 2, SULFATE ION, ... | | 著者 | McDonough, M.A, El-Hussein, A, Schofield, C.J, Zhang, D, Brem, J. | | 登録日 | 2017-11-24 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.149 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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6EUM
 | | CRYSTAL STRUCTURE OF BCII METALLO-BETA-LACTAMASE IN COMPLEX WITH DZ-307 | | 分子名称: | (~{Z})-2-sulfanyl-3-[2,3,6-tris(fluoranyl)phenyl]prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | 著者 | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | | 登録日 | 2017-10-30 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.18 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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6EW3
 | | Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F | | 分子名称: | (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J. | | 登録日 | 2017-11-03 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.14 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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6EWE
 | | Crystal structure of BCII Metallo-beta-lactamase in complex with DZ-308 | | 分子名称: | (~{Z})-3-(1-benzothiophen-3-yl)-2-sulfanyl-prop-2-enoic acid, GLYCEROL, Metallo-beta-lactamase type 2, ... | | 著者 | Stepanovs, D, McDonough, M.A, Schofield, C.J, Zhang, D, El-Husseiny, A, Brem, J. | | 登録日 | 2017-11-03 | | 公開日 | 2018-10-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.46 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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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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5MMY
 | | Crystal structure of OXA10 with HEPES | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase OXA-10, ... | | 著者 | Brem, J. | | 登録日 | 2016-12-12 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
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5MOX
 | | OXA-10 Avibactam complex with bound CO2 | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CARBON DIOXIDE, ... | | 著者 | Brem, J. | | 登録日 | 2016-12-14 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
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5MOZ
 | | OXA-10 Avibactam complex with bound Iodide | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase OXA-10, CHLORIDE ION, ... | | 著者 | Brem, J. | | 登録日 | 2016-12-15 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
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5MNU
 | | OXA-10 Avibactam complex with bound bromide | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, BROMIDE ION, Beta-lactamase OXA-10, ... | | 著者 | Brem, J, McDonough, M, Clifton, I. | | 登録日 | 2016-12-13 | | 公開日 | 2017-07-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
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5X1R
 | | PpkA-294 apo form | | 分子名称: | PpkA-294 | | 著者 | Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W. | | 登録日 | 2017-01-26 | | 公開日 | 2018-01-31 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism.
Biochem.J., 475, 2018
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5X1T
 | | PpkA-294 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, PpkA-294 | | 著者 | Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W. | | 登録日 | 2017-01-26 | | 公開日 | 2018-01-31 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism.
Biochem.J., 475, 2018
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5X1Q
 | | PpkA-294 with ATP and MnCl2 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ... | | 著者 | Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W. | | 登録日 | 2017-01-26 | | 公開日 | 2018-01-31 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.602 Å) | | 主引用文献 | Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism.
Biochem.J., 475, 2018
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5X1S
 | | PpkA-294 with Amppcp | | 分子名称: | GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, PpkA | | 著者 | Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W. | | 登録日 | 2017-01-26 | | 公開日 | 2018-01-31 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism.
Biochem.J., 475, 2018
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3PYY
 | | Discovery and Characterization of a Cell-Permeable, Small-molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site | | 分子名称: | (5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, GLYCEROL, ... | | 著者 | Yang, J, Campobasso, N, Biju, M.P, Fisher, K, Pan, X.Q, Cottom, J, Galbraith, S, Ho, T, Zhang, H, Hong, X, Ward, P, Hofmann, G, Siegfried, B. | | 登録日 | 2010-12-13 | | 公開日 | 2011-03-09 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery and Characterization of a Cell-Permeable, Small-Molecule c-Abl Kinase Activator that Binds to the Myristoyl Binding Site.
Chem.Biol., 18, 2011
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5T66
 | | Crystal Structure of CTX-M-15 with 1C | | 分子名称: | (3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid, Beta-lactamase | | 著者 | Cahill, S.T, Brem, J, McDonough, M.A, Schofield, C.J. | | 登録日 | 2016-09-01 | | 公開日 | 2017-02-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.951 Å) | | 主引用文献 | Cyclic Boronates Inhibit All Classes of beta-Lactamases.
Antimicrob. Agents Chemother., 61, 2017
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2JRK
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6NPE
 | | C-abl Kinase domain with the activator(cmpd6), 2-cyano-N-(4-(3,4-dichlorophenyl)thiazol-2-yl)acetamide | | 分子名称: | 2-cyano-~{N}-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]ethanamide, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, NONAETHYLENE GLYCOL, ... | | 著者 | campobasso, N. | | 登録日 | 2019-01-17 | | 公開日 | 2019-03-13 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Identification and Optimization of Novel Small c-Abl Kinase Activators Using Fragment and HTS Methodologies.
J. Med. Chem., 62, 2019
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6NPV
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6NPU
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2GM2
 | | NMR structure of Xanthomonas campestris XCC1710: Northeast Structural Genomics Consortium target XcR35 | | 分子名称: | conserved hypothetical protein | | 著者 | Cort, J.R, Xiao, R, Wang, D.Y, Ma, L.C, Ciano, M, Montelione, G.T, Ramelot, T.A, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2006-04-05 | | 公開日 | 2006-04-25 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR structure of Xanthomonas campestris XCC1710 protein
To be Published
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5D65
 | | X-RAY STRUCTURE OF MACROPHAGE INFLAMMATORY PROTEIN-1 ALPHA (CCL3) WITH HEPARIN COMPLEX | | 分子名称: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, C-C motif chemokine 3, CHLORIDE ION, ... | | 著者 | Liang, W.G, Hwang, D.Y, Zulueta, M.M, Hung, S.C, Tang, W. | | 登録日 | 2015-08-11 | | 公開日 | 2016-04-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structural basis for oligomerization and glycosaminoglycan binding of CCL5 and CCL3.
Proc.Natl.Acad.Sci.USA, 113, 2016
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