2XCS
 
 | | The 2.1A crystal structure of S. aureus Gyrase complex with GSK299423 and DNA | | 分子名称: | 5'-5UA*D(GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP *CP*TP*AP*CP*GP*GP*CP*T)-3', 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE, DNA GYRASE SUBUNIT B, ... | | 著者 | Bax, B.D, Chan, P.F, Eggleston, D.S, Fosberry, A, Gentry, D.R, Gorrec, F, Giordano, I, Hann, M.M, Hennessy, A, Hibbs, M, Huang, J, Jones, E, Jones, J, Brown, K.K, Lewis, C.J, May, E.W, Singh, O, Spitzfaden, C, Shen, C, Shillings, A, Theobald, A.F, Wohlkonig, A, Pearson, N.D, Gwynn, M.N. | | 登録日 | 2010-04-25 | | 公開日 | 2010-08-04 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Type Iia Topoisomerase Inhibition by a New Class of Antibacterial Agents.
Nature, 466, 2010
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5IWI
 | | 1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked DNA | | 分子名称: | (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, CHLORIDE ION, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3'), ... | | 著者 | Bax, B.D, Miles, T.J. | | 登録日 | 2016-03-22 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases.
Bioorg.Med.Chem.Lett., 26, 2016
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9FI9
 | | Human PIF + Z48847594 (OCCUPANCY 0.7) | | 分子名称: | ATP-dependent DNA helicase PIF1, MAGNESIUM ION, N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide, ... | | 著者 | Bax, B.D, Sanders, C.M, Antson, A.A, Brandao-Neto, J. | | 登録日 | 2024-05-28 | | 公開日 | 2024-10-02 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.727 Å) | | 主引用文献 | Structure-based discovery of first inhibitors targeting the helicase activity of human PIF1.
Nucleic Acids Res., 2024
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9FB8
 | | XChem refined PIF1-x0076 complex | | 分子名称: | ATP-dependent DNA helicase PIF1, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | | 著者 | Bax, B.D, Antson, A.A, Sanders, C.M, Brandao-Neto, J. | | 登録日 | 2024-05-12 | | 公開日 | 2024-09-18 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.727 Å) | | 主引用文献 | Structure-based discovery of first inhibitors targeting the helicase activity of human PIF1.
Nucleic Acids Res., 2024
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1SGF
 | | CRYSTAL STRUCTURE OF 7S NGF: A COMPLEX OF NERVE GROWTH FACTOR WITH FOUR BINDING PROTEINS (SERINE PROTEINASES) | | 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, NERVE GROWTH FACTOR, ... | | 著者 | Bax, B.D.V, Blundell, T.L, Murray-Rust, J, Mcdonald, N.Q. | | 登録日 | 1997-08-08 | | 公開日 | 1998-05-27 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Structure of mouse 7S NGF: a complex of nerve growth factor with four binding proteins.
Structure, 5, 1997
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7O86
 | | 1.73A X-ray crystal structure of the conserved C-terminal (CCT) of human SPAK | | 分子名称: | CALCIUM ION, MAGNESIUM ION, SODIUM ION, ... | | 著者 | Elvers, K.T, Bax, B.D, Lipka-Lloyd, M, Mehellou, Y. | | 登録日 | 2021-04-14 | | 公開日 | 2021-09-22 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Structures of the Human SPAK and OSR1 Conserved C-Terminal (CCT) Domains.
Chembiochem, 23, 2022
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4X8C
 | | Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK147 | | 分子名称: | CALCIUM ION, Protein-arginine deiminase type-4, [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone | | 著者 | Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J. | | 登録日 | 2014-12-10 | | 公開日 | 2015-01-28 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation.
Nat.Chem.Biol., 11, 2015
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4X8G
 | | Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK199 | | 分子名称: | CALCIUM ION, Protein-arginine deiminase type-4, [(3R)-3-aminopiperidin-1-yl][2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-7-methoxy-1-methyl-1H-benzimidazol-5-yl]methanone | | 著者 | Lewis, H.D, Bax, B.D, Chung, C.-W, Polyakova, O, Thorpe, J. | | 登録日 | 2014-12-10 | | 公開日 | 2015-01-28 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.29 Å) | | 主引用文献 | Inhibition of PAD4 activity is sufficient to disrupt mouse and human NET formation.
Nat.Chem.Biol., 11, 2015
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6ZUJ
 | | Human serine racemase holoenzyme from 20% DMSO soak (XChem crystallographic fragment screen). | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | 著者 | Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R. | | 登録日 | 2020-07-23 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
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6ZSP
 | | Human serine racemase bound to ATP and malonate. | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | 著者 | Koulouris, C.R, Bax, B.D, Roe, S.M, Atack, J.R. | | 登録日 | 2020-07-16 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase.
Commun Biol, 5, 2022
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9FZ6
 | | A 2.58A crystal structure of S. aureus DNA gyrase and DNA with metals identified through anomalous scattering | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G)-3'), DNA (5'-D(*AP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | | 著者 | Morgan, H, Duman, R, Bax, B.D, Warren, A.J. | | 登録日 | 2024-07-04 | | 公開日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | How do gepotidacin and zolifodacin stabilize DNA-cleavage complexes with bacterial type IIA topoisomerases? 1. Experimental definition of metal binding sites
To be published
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2XHD
 | | Crystal structure of N-((2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H- inden-2-yl)-2-propanesulfonamide in complex with the ligand binding domain of the human GluA2 receptor | | 分子名称: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N-[(2S)-5-(6-FLUORO-3-PYRIDINYL)-2,3-DIHYDRO-1H-INDEN-2-YL]-2-PROPANESULFONAMIDE, ... | | 著者 | Ward, S.E, Harries, M, Aldegheri, L, Andreotti, D, Ballantine, S, Bax, B.D, Harris, A.J, Harker, A.J, Lund, J, Melarange, R, Mingardi, A, Mookherjee, C, Mosley, J, Neve, M, Oliosi, B, Profeta, R, Smith, K.J, Smith, P.W, Spada, S, Thewlis, K.M, Yusaf, S.P. | | 登録日 | 2010-06-14 | | 公開日 | 2010-07-21 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Discovery of N-[(2S)-5-(6-Fluoro-3-Pyridinyl)-2,3-Dihydro-1H-Inden-2-Yl]-2-Propanesulfonamide, a Novel Clinical Ampa Receptor Positive Modulator.
J.Med.Chem., 53, 2010
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2XXH
 | | Crystal structure of 1-(4-(2-oxo-2-(1-pyrrolidinyl)ethyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.5A resolution. | | 分子名称: | 1-{4-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]PHENYL}-3-( TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | | 著者 | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | 登録日 | 2010-11-10 | | 公開日 | 2011-04-06 | | 最終更新日 | 2011-09-28 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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2XX7
 | | Crystal structure of 1-(4-(1-pyrrolidinylcarbonyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | | 分子名称: | 1-[4-(1-PYRROLIDINYLCARBONYL)PHENYL]-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | | 著者 | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | 登録日 | 2010-11-09 | | 公開日 | 2011-04-06 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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2XKJ
 | | CRYSTAL STRUCTURE OF CATALYTIC CORE OF A. BAUMANNII TOPO IV (PARE- PARC FUSION TRUNCATE) | | 分子名称: | GLYCEROL, SULFATE ION, TOPOISOMERASE IV | | 著者 | Wohlkonig, A, Chan, P.F, Fosberry, A.P, Homes, P, Huang, J, Kranz, M, Leydon, V.R, Miles, T.J, Pearson, N.D, Perera, R.L, Shillings, A.J, Gwynn, M.N, Bax, B.D. | | 登録日 | 2010-07-08 | | 公開日 | 2010-09-01 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural Basis of Quinolone Inhibition of Type Iia Topoisomerases and Target-Mediated Resistance
Nat.Struct.Mol.Biol., 17, 2010
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2XKK
 | | CRYSTAL STRUCTURE OF MOXIFLOXACIN, DNA, and A. BAUMANNII TOPO IV (PARE-PARC FUSION TRUNCATE) | | 分子名称: | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, DNA, MAGNESIUM ION, ... | | 著者 | Wohlkonig, A, Chan, P.F, Fosberry, A.P, Homes, P, Huang, J, Kranz, M, Leydon, V.R, Miles, T.J, Pearson, N.D, Perera, R.L, Shillings, A.J, Gwynn, M.N, Bax, B.D. | | 登録日 | 2010-07-08 | | 公開日 | 2010-09-01 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Structural Basis of Quinolone Inhibition of Type Iia Topoisomerases and Target-Mediated Resistance
Nat.Struct.Mol.Biol., 17, 2010
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2XX8
 | | Crystal structure of N,N-dimethyl-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)benzamide in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | | 分子名称: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ... | | 著者 | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | 登録日 | 2010-11-09 | | 公開日 | 2011-04-27 | | 最終更新日 | 2011-09-28 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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2XX9
 | | Crystal structure of 1-((2-fluoro-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | | 分子名称: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ... | | 著者 | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | 登録日 | 2010-11-09 | | 公開日 | 2011-04-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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2XXI
 | | Crystal structure of 1-((4-(3-(trifluoromethyl)-6,7-dihydropyrano(4,3- c(pyrazol-1(4H)-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.6A resolution. | | 分子名称: | 1-({4-[3-(TRIFLUOROMETHYL)-6,7-DIHYDROPYRANO[4,3-C]PYRAZOL-1(4H)-YL]PHENYL}METHYL)-2-PYRROLIDINONE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | | 著者 | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | 登録日 | 2010-11-10 | | 公開日 | 2011-04-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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6HPT
 | | Crystal structure of human Pif1 helicase, apoform. | | 分子名称: | ATP-dependent DNA helicase PIF1, SULFATE ION | | 著者 | Levdikov, V.M, Dehghani-Tafti, S, Bax, B.D, Sanders, C.M, Antson, A.A. | | 登録日 | 2018-09-21 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Structural and functional analysis of the nucleotide and DNA binding activities of the human PIF1 helicase.
Nucleic Acids Res., 47, 2019
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6HPH
 | | Crystal structure of human Pif1 helicase in complex with AMP-PNP | | 分子名称: | ATP-dependent DNA helicase PIF1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Levdikov, V.M, Dehghani-Tafti, S, Bax, B.D, Sanders, C.M, Antson, A.A. | | 登録日 | 2018-09-20 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Structural and functional analysis of the nucleotide and DNA binding activities of the human PIF1 helicase.
Nucleic Acids Res., 47, 2019
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6HPU
 | | Crystal structure of human Pif1 helicase in complex with ADP-AlF4 | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, MAGNESIUM ION, ... | | 著者 | Levdikov, V.M, Dehghani-Tafti, S, Bax, B.D, Sanders, C.M, Antson, A.A. | | 登録日 | 2018-09-21 | | 公開日 | 2019-01-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.96 Å) | | 主引用文献 | Structural and functional analysis of the nucleotide and DNA binding activities of the human PIF1 helicase.
Nucleic Acids Res., 47, 2019
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