7MCL
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![BU of 7mcl by Molmil](/molmil-images/mine/7mcl) | Crystal structure of Staphylococcus aureus Cystathionine gamma-lyase, PLP bound | 分子名称: | Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | 著者 | Nuthanakanti, A, Serganov, A, Kaushik, A. | 登録日 | 2021-04-02 | 公開日 | 2021-06-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MCY
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![BU of 7mcy by Molmil](/molmil-images/mine/7mcy) | Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, Holoenzyme with bound NL3 | 分子名称: | 3-{[6-(7-chloro-1-benzothiophen-2-yl)-1H-indol-1-yl]methyl}-1H-pyrazole-5-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, ... | 著者 | Nuthanakanti, A, Serganov, A, Kaushik, A. | 登録日 | 2021-04-02 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | 主引用文献 | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MCT
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![BU of 7mct by Molmil](/molmil-images/mine/7mct) | Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, Holoenzyme with bound NL1 | 分子名称: | Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, N-[(6-bromo-1H-indol-1-yl)acetyl]glycine, ... | 著者 | Nuthanakanti, A, Serganov, A, Kaushik, A. | 登録日 | 2021-04-02 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MCU
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![BU of 7mcu by Molmil](/molmil-images/mine/7mcu) | Crystal structure of Staphylococcus aureus Cystathionine gamma lyase, Holoenzyme with bound NL2 | 分子名称: | 5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, CITRATE ANION, ... | 著者 | Nuthanakanti, A, Serganov, A, Kaushik, A. | 登録日 | 2021-04-02 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MD8
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![BU of 7md8 by Molmil](/molmil-images/mine/7md8) | Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103N mutant co-crystallized with NL2 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, GLYCEROL, ... | 著者 | Nuthanakanti, A, Serganov, A, Kaushik, A. | 登録日 | 2021-04-03 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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7MDA
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![BU of 7mda by Molmil](/molmil-images/mine/7mda) | Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A mutant co-crystallized with NL1 | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Bifunctional cystathionine gamma-lyase/homocysteine desulfhydrase, N-[(6-bromo-1H-indol-1-yl)acetyl]glycine, ... | 著者 | Nuthanakanti, A, Serganov, A, Kaushik, A. | 登録日 | 2021-04-03 | 公開日 | 2021-06-23 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | 主引用文献 | Inhibitors of bacterial H 2 S biogenesis targeting antibiotic resistance and tolerance. Science, 372, 2021
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6XAV
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![BU of 6xav by Molmil](/molmil-images/mine/6xav) | CryoEM Structure of E. coli Rho-dependent Transcription Pre-termination Complex bound with NusG | 分子名称: | DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | 著者 | Hao, Z.T, Kim, H.K, Walz, T, Nudler, E. | 登録日 | 2020-06-04 | 公開日 | 2020-12-16 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (7.7 Å) | 主引用文献 | Pre-termination Transcription Complex: Structure and Function. Mol.Cell, 81, 2021
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6XAS
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![BU of 6xas by Molmil](/molmil-images/mine/6xas) | CryoEM Structure of E. coli Rho-dependent Transcription Pre-termination Complex | 分子名称: | DNA (29-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | 著者 | Hao, Z.T, Kim, H.K, Walz, T, Nudler, E. | 登録日 | 2020-06-04 | 公開日 | 2020-12-16 | 最終更新日 | 2024-03-06 | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | 主引用文献 | Pre-termination Transcription Complex: Structure and Function. Mol.Cell, 81, 2021
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5F89
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![BU of 5f89 by Molmil](/molmil-images/mine/5f89) | |
5ENZ
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![BU of 5enz by Molmil](/molmil-images/mine/5enz) | S. aureus MnaA-UDP co-structure | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, TETRAETHYLENE GLYCOL, ... | 著者 | Fischmann, T.O. | 登録日 | 2015-11-09 | 公開日 | 2016-04-27 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Chemical Genetic Analysis and Functional Characterization of Staphylococcal Wall Teichoic Acid 2-Epimerases Reveals Unconventional Antibiotic Drug Targets. Plos Pathog., 12, 2016
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5HMI
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![BU of 5hmi by Molmil](/molmil-images/mine/5hmi) | HDM2 in complex with a 3,3-Disubstituted Piperidine | 分子名称: | E3 ubiquitin-protein ligase Mdm2, SULFATE ION, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone | 著者 | Scapin, G. | 登録日 | 2016-01-16 | 公開日 | 2016-04-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | 主引用文献 | Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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5HMH
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![BU of 5hmh by Molmil](/molmil-images/mine/5hmh) | HDM2 in complex with a 3,3-Disubstituted Piperidine | 分子名称: | 4-[2-(4-{[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | 著者 | Scapin, G. | 登録日 | 2016-01-16 | 公開日 | 2016-04-06 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | 主引用文献 | Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors. Acs Med.Chem.Lett., 7, 2016
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4QL8
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![BU of 4ql8 by Molmil](/molmil-images/mine/4ql8) | Crystal structure of Androgen Receptor in complex with the ligand | 分子名称: | 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile, Androgen receptor | 著者 | Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S. | 登録日 | 2014-06-11 | 公開日 | 2015-06-17 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | 3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration J.Med.Chem., 57, 2014
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3V7X
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![BU of 3v7x by Molmil](/molmil-images/mine/3v7x) | Complex of human carbonic anhydrase II with N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide | 分子名称: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | 著者 | Mader, P, Brynda, J, Rezacova, P. | 登録日 | 2011-12-22 | 公開日 | 2012-04-04 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.03 Å) | 主引用文献 | Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors. J.Med.Chem., 55, 2012
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3VBD
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![BU of 3vbd by Molmil](/molmil-images/mine/3vbd) | Complex of human carbonic anhydrase II with 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide | 分子名称: | 4-(6-methoxy-3,4-dihydroisoquinolin-1-yl)benzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Mader, P, Brynda, J, Rezacova, P. | 登録日 | 2012-01-02 | 公開日 | 2012-04-04 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.05 Å) | 主引用文献 | Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors. J.Med.Chem., 55, 2012
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4P3N
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![BU of 4p3n by Molmil](/molmil-images/mine/4p3n) | Structural Basis for Full-Spectrum Inhibition of Threonyl-tRNA Synthetase by Borrelidin 1 | 分子名称: | (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid, Threonine--tRNA ligase, cytoplasmic, ... | 著者 | Fang, P, Yu, X, Chen, K, Chen, X, Guo, M. | 登録日 | 2014-03-09 | 公開日 | 2015-03-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural basis for full-spectrum inhibition of translational functions on a tRNA synthetase. Nat Commun, 6, 2015
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4P3O
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![BU of 4p3o by Molmil](/molmil-images/mine/4p3o) | Structural Basis for Full-Spectrum Inhibition of Threonyl-tRNA Synthetase by Borrelidin 2 | 分子名称: | (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid, GLYCEROL, Threonine--tRNA ligase, ... | 著者 | Fang, P, Yu, X, Chen, K, Chen, X, Guo, M. | 登録日 | 2014-03-09 | 公開日 | 2015-03-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.505 Å) | 主引用文献 | Structural basis for full-spectrum inhibition of translational functions on a tRNA synthetase. Nat Commun, 6, 2015
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4P3P
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![BU of 4p3p by Molmil](/molmil-images/mine/4p3p) | Structural Basis for Full-Spectrum Inhibition of Threonyl-tRNA Synthetase by Borrelidin 3 | 分子名称: | (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid, GLYCEROL, Threonine--tRNA ligase, ... | 著者 | Fang, P, Yu, X, Chen, K, Chen, X, Guo, M. | 登録日 | 2014-03-09 | 公開日 | 2015-03-11 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural basis for full-spectrum inhibition of translational functions on a tRNA synthetase. Nat Commun, 6, 2015
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3S2V
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![BU of 3s2v by Molmil](/molmil-images/mine/3s2v) | Crystal Structure of the Ligand Binding Domain of GluK1 in Complex with an Antagonist (S)-1-(2'-Amino-2'-carboxyethyl)-3-[(2-carboxythien-3-yl)methyl]thieno[3,4-d]pyrimidin-2,4-dione at 2.5 A Resolution | 分子名称: | (S)-1-(2'-AMINO-2'-CARBOXYETHYL)-3-[(2-CARBOXYTHIEN-3-YL)METHYL]THIENO[3,4-D]PYRIMIDIN-2,4-DIONE, CHLORIDE ION, GLYCEROL, ... | 著者 | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | 登録日 | 2011-05-17 | 公開日 | 2011-06-22 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Selective kainate receptor (GluK1) ligands structurally based upon 1H-cyclopentapyrimidin-2,4(1H,3H)-dione: synthesis, molecular modeling, and pharmacological and biostructural characterization. J.Med.Chem., 54, 2011
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2Y58
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![BU of 2y58 by Molmil](/molmil-images/mine/2y58) | Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 6) | 分子名称: | CHLORIDE ION, SOLUBLE ACETYLCHOLINE RECEPTOR, SULFATE ION, ... | 著者 | Rucktooa, P, Edink, E, deEsch, I.J.P, Sixma, T.K. | 登録日 | 2011-01-12 | 公開日 | 2011-06-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | 主引用文献 | Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis. J.Am.Chem.Soc., 133, 2011
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2Y54
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![BU of 2y54 by Molmil](/molmil-images/mine/2y54) | Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Fragment 1) | 分子名称: | CHLORIDE ION, SOLUBLE ACETYLCHOLINE RECEPTOR, SULFATE ION, ... | 著者 | Rucktooa, P, Edink, E, deEsch, I.J.P, Sixma, T.K. | 登録日 | 2011-01-12 | 公開日 | 2011-06-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.65 Å) | 主引用文献 | Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis. J.Am.Chem.Soc., 133, 2011
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2Y56
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![BU of 2y56 by Molmil](/molmil-images/mine/2y56) | Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 3) | 分子名称: | CHLORIDE ION, GLYCEROL, SOLUBLE ACETYLCHOLINE RECEPTOR, ... | 著者 | Rucktooa, P, Edink, E, deEsch, I.J.P, Sixma, T.K. | 登録日 | 2011-01-12 | 公開日 | 2011-06-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.59 Å) | 主引用文献 | Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis. J.Am.Chem.Soc., 133, 2011
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2Y57
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![BU of 2y57 by Molmil](/molmil-images/mine/2y57) | Fragment growing induces conformational changes in acetylcholine- binding protein: A structural and thermodynamic analysis - (Compound 4) | 分子名称: | CHLORIDE ION, SOLUBLE ACETYLCHOLINE RECEPTOR, SULFATE ION, ... | 著者 | Rucktooa, P, Edink, E, deEsch, I.J.P, Sixma, T.K. | 登録日 | 2011-01-12 | 公開日 | 2011-06-15 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Fragment Growing Induces Conformational Changes in Acetylcholine-Binding Protein: A Structural and Thermodynamic Analysis. J.Am.Chem.Soc., 133, 2011
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2J6P
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![BU of 2j6p by Molmil](/molmil-images/mine/2j6p) | STRUCTURE OF AS-SB REDUCTASE FROM LEISHMANIA MAJOR | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, SB(V)-AS(V) REDUCTASE, ... | 著者 | Bisacchi, D, Zhou, Y, Rosen, B.P, Mukhopadhyay, R, Bordo, D. | 登録日 | 2006-10-02 | 公開日 | 2007-10-02 | 最終更新日 | 2018-12-19 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Structural characterization of the As/Sb reductase LmACR2 from Leishmania major. J. Mol. Biol., 386, 2009
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2KH5
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![BU of 2kh5 by Molmil](/molmil-images/mine/2kh5) | Solution Structure of cis-5R,6S-thymine glycol opposite complementary adenine in duplex DNA | 分子名称: | 5'-D(*AP*CP*AP*AP*AP*CP*AP*CP*GP*CP*AP*C)-3', 5'-D(*GP*TP*GP*CP*GP*(CTG)P*GP*TP*TP*TP*GP*T)-3' | 著者 | Brown, K.L. | 登録日 | 2009-03-24 | 公開日 | 2010-03-02 | 最終更新日 | 2024-05-22 | 実験手法 | SOLUTION NMR | 主引用文献 | Binding of the human nucleotide excision repair proteins XPA and XPC/HR23B to the 5R-thymine glycol lesion and structure of the cis-(5R,6S) thymine glycol epimer in the 5'-GTgG-3' sequence: destabilization of two base pairs at the lesion site Nucleic Acids Res., 38, 2010
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