4KZA
 
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 48 (3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid) | | 分子名称: | 3-(cyclopropylsulfamoyl)thiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | 登録日 | 2013-05-29 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KZ7
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 16 ((1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid) | | 分子名称: | (1R,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | 登録日 | 2013-05-29 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KZ9
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 41 ((4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol) | | 分子名称: | (4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol, Beta-lactamase, PHOSPHATE ION | | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | 登録日 | 2013-05-29 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KZ3
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 44 (5-chloro-3-sulfamoylthiophene-2-carboxylic acid) | | 分子名称: | 5-chloro-3-sulfamoylthiophene-2-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | 登録日 | 2013-05-29 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KZB
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 50 (N-(methylsulfonyl)-N-phenyl-alanine) | | 分子名称: | Beta-lactamase, N-(methylsulfonyl)-N-phenyl-D-alanine, N-(methylsulfonyl)-N-phenyl-L-alanine | | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | 登録日 | 2013-05-29 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KZ8
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 20 (1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione) | | 分子名称: | 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, Beta-lactamase, PHOSPHATE ION | | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | 登録日 | 2013-05-29 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.282 Å) | | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KZ5
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 5 (N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine) | | 分子名称: | Beta-lactamase, N-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}glycine, PHOSPHATE ION | | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | 登録日 | 2013-05-29 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4KZ4
 | | Crystal structure of AmpC beta-lactamase in complex with fragment 60 (2-[(propylsulfonyl)amino]benzoic acid) | | 分子名称: | 2-[(propylsulfonyl)amino]benzoic acid, Beta-lactamase, PHOSPHATE ION | | 著者 | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | | 登録日 | 2013-05-29 | | 公開日 | 2014-05-21 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Increasing chemical space coverage by combining empirical and computational fragment screens.
Acs Chem.Biol., 9, 2014
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4BDY
 | | PFV intasome with inhibitor XZ-89 | | 分子名称: | 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-4-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione, ... | | 著者 | Hare, S, Cherepanov, P. | | 登録日 | 2012-10-08 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
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4BE1
 | | PFV intasome with inhibitor XZ-116 | | 分子名称: | 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1H-isoindol-1-one, ... | | 著者 | Hare, S, Cherepanov, P. | | 登録日 | 2012-10-08 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
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4BE2
 | | PFV intasome with inhibitor XZ-259 | | 分子名称: | 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND) *AP*CP*A)-3', 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-4-fluorobenzyl)-6,7-dihydroxy-N,N-dimethyl-1-oxo-2,3-dihydro-1H-isoindole-4-sulfonamide, ... | | 著者 | Hare, S, Cherepanov, P. | | 登録日 | 2012-10-08 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
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4BDZ
 | | PFV intasome with inhibitor XZ-90 | | 分子名称: | 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one, ... | | 著者 | Hare, S, Cherepanov, P. | | 登録日 | 2012-10-08 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
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4BE0
 | | PFV intasome with inhibitor XZ-115 | | 分子名称: | 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione, ... | | 著者 | Hare, S, Cherepanov, P. | | 登録日 | 2012-10-08 | | 公開日 | 2012-10-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase.
Acs Chem.Biol., 8, 2013
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2F2W
 | | alpha-spectrin SH3 domain R21A mutant | | 分子名称: | SULFATE ION, Spectrin alpha chain, brain | | 著者 | Camara-Artigas, A, Conejero-Lara, F, Casares, S, Lopez-Mayorga, O, Vega, C. | | 登録日 | 2005-11-18 | | 公開日 | 2006-10-31 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Cooperative propagation of local stability changes from low-stability and high-stability regions in a SH3 domain
Proteins, 67, 2007
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2F2X
 | | alpha-spectrin SH3 domain R21G mutant | | 分子名称: | SULFATE ION, Spectrin alpha chain, brain | | 著者 | Camara-Artigas, A, Conejero-Lara, F, Casares, S, Lopez-Mayorga, O, Vega, C. | | 登録日 | 2005-11-18 | | 公開日 | 2006-10-31 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Cooperative propagation of local stability changes from low-stability and high-stability regions in a SH3 domain
Proteins, 67, 2007
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2F2V
 | | alpha-spectrin SH3 domain A56G mutant | | 分子名称: | FORMIC ACID, Spectrin alpha chain, brain | | 著者 | Camara-Artigas, A, Conejero-Lara, F, Casares, S, Lopez-Mayorga, O, Vega, C. | | 登録日 | 2005-11-18 | | 公開日 | 2006-10-31 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Cooperative propagation of local stability changes from low-stability and high-stability regions in a SH3 domain
Proteins, 67, 2007
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2JM8
 | | R21A Spc-SH3 free | | 分子名称: | Spectrin alpha chain, brain | | 著者 | van Nuland, N.A.J, Casares, S, Ab, E, Eshuis, H, Lopez-Mayorga, O, Conejero-Lara, F. | | 登録日 | 2006-10-25 | | 公開日 | 2007-04-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The high-resolution NMR structure of the R21A Spc-SH3:P41 complex: Understanding the determinants of binding affinity by comparison with Abl-SH3
Bmc Struct.Biol., 7, 2007
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2JMA
 | | R21A Spc-SH3:P41 complex | | 分子名称: | P41 peptide, Spectrin alpha chain, brain | | 著者 | van Nuland, N.A.J, Casares, S, Ab, E, Eshuis, H, Lopez-Mayorga, O, Conejero-Lara, F. | | 登録日 | 2006-10-25 | | 公開日 | 2007-04-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The high-resolution NMR structure of the R21A Spc-SH3:P41 complex: Understanding the determinants of binding affinity by comparison with Abl-SH3
Bmc Struct.Biol., 7, 2007
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2JM9
 | | R21A Spc-SH3 bound | | 分子名称: | Spectrin alpha chain, brain | | 著者 | van Nuland, N.A.J, Casares, S, Ab, E, Eshuis, H, Lopez-Mayorga, O, Conejero-Lara, F. | | 登録日 | 2006-10-25 | | 公開日 | 2007-04-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | The high-resolution NMR structure of the R21A Spc-SH3:P41 complex: Understanding the determinants of binding affinity by comparison with Abl-SH3
Bmc Struct.Biol., 7, 2007
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2R52
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7RHQ
 | | Cryo-EM structure of Xenopus Patched-1 in complex with GAS1 and Sonic Hedgehog | | 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, CALCIUM ION, ... | | 著者 | Huang, P, Lian, T, Wierbowski, B, Garcia-Linares, S, Jiang, J, Salic, A. | | 登録日 | 2021-07-18 | | 公開日 | 2022-03-02 | | 最終更新日 | 2022-03-23 | | 実験手法 | ELECTRON MICROSCOPY (3.53 Å) | | 主引用文献 | Structural basis for catalyzed assembly of the Sonic hedgehog-Patched1 signaling complex.
Dev.Cell, 57, 2022
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3G5P
 | | Structure and activity of human mitochondrial peptide deformylase, a novel cancer target | | 分子名称: | COBALT (II) ION, PHOSPHATE ION, Peptide deformylase, ... | | 著者 | Escobar-Alvarez, S, Goldgur, Y, Yang, G, Ouerfelli, O, Li, Y, Scheinberg, D.A. | | 登録日 | 2009-02-05 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
J.Mol.Biol., 387, 2009
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3G5K
 | | Structure and activity of human mitochondrial peptide deformylase, a novel cancer target | | 分子名称: | ACTINONIN, COBALT (II) ION, Peptide deformylase, ... | | 著者 | Escobar-Alvarez, S, Goldgur, Y, Yang, G, Ouerfelli, O, Li, Y, Scheinberg, D.A. | | 登録日 | 2009-02-05 | | 公開日 | 2009-04-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structure and activity of human mitochondrial peptide deformylase, a novel cancer target
J.Mol.Biol., 387, 2009
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6TOV
 | | Crystal Structure of Teicoplanin Aglycone | | 分子名称: | DIMETHYL SULFOXIDE, Teicoplanin Aglycone | | 著者 | Belviso, B.D, Carrozzini, B, Caliandro, R, Altomare, C.D, Bolognino, I, Cellamare, S. | | 登録日 | 2019-12-12 | | 公開日 | 2020-01-15 | | 最終更新日 | 2022-01-19 | | 実験手法 | X-RAY DIFFRACTION (0.767 Å) | | 主引用文献 | Enantiomeric Separation and Molecular Modelling of Bioactive 4-Aryl-3,4-dihydropyrimidin-2(1H)-one Ester Derivatives on Teicoplanin-Based Chiral Stationary Phase
Separations, 2022
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4V7N
 | | Glycocyamine kinase, beta-beta homodimer from marine worm Namalycastis sp., with transition state analog Mg(II)-ADP-NO3-glycocyamine. | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, GUANIDINO ACETATE, Glycocyamine kinase beta chain, ... | | 著者 | Lim, K, Pullalarevu, S, Herzberg, O. | | 登録日 | 2009-12-15 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for the mechanism and substrate specificity of glycocyamine kinase, a phosphagen kinase family member.
Biochemistry, 49, 2010
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