Loading
PDBj
メニューPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
6ZUJ
DownloadVisualize
BU of 6zuj by Molmil
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
6ZSP
DownloadVisualize
BU of 6zsp by Molmil
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
7O86
DownloadVisualize
BU of 7o86 by Molmil
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
2XKJ
DownloadVisualize
BU of 2xkj by Molmil
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
2XHD
DownloadVisualize
BU of 2xhd by Molmil
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
2XXI
DownloadVisualize
BU of 2xxi by Molmil
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2011-09-28
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
2XX7
DownloadVisualize
BU of 2xx7 by Molmil
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2011-09-28
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
2XXH
DownloadVisualize
BU of 2xxh by Molmil
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
2XX9
DownloadVisualize
BU of 2xx9 by Molmil
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2011-09-28
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
2XX8
DownloadVisualize
BU of 2xx8 by Molmil
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
2XKK
DownloadVisualize
BU of 2xkk by Molmil
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2023-12-20
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
5IWI
DownloadVisualize
BU of 5iwi by Molmil
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
5IWM
DownloadVisualize
BU of 5iwm by Molmil
2.5A structure of GSK945237 with S.aureus DNA gyrase and 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, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*TP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*AP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-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 (2.5 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
6QTK
DownloadVisualize
BU of 6qtk by Molmil
2.31A structure of gepotidacin with S.aureus DNA gyrase and doubly nicked DNA
分子名称: (3~{R})-3-[[4-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*G*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), DNA gyrase subunit A, ...
著者Bax, B.D.
登録日2019-02-25
公開日2019-03-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Mechanistic and Structural Basis for the Actions of the Antibacterial Gepotidacin against Staphylococcus aureus Gyrase.
Acs Infect Dis., 5, 2019
6QTP
DownloadVisualize
BU of 6qtp by Molmil
2.37A structure of gepotidacin with S.aureus DNA gyrase and uncleaved DNA
分子名称: (3~{R})-3-[[4-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione, DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*AP*GP*CP*TP*GP*TP*AP*CP*GP*CP*TP*T)-3'), DNA gyrase subunit A, ...
著者Bax, B.D.
登録日2019-02-25
公開日2019-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Mechanistic and Structural Basis for the Actions of the Antibacterial Gepotidacin against Staphylococcus aureus Gyrase.
Acs Infect Dis., 5, 2019
4BUL
DownloadVisualize
BU of 4bul by Molmil
Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases
分子名称: (S)-4-((4-(((2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)methyl)amino)piperidin-1-yl)methyl)-3-fluoro-4-hydroxy-4H-pyrrolo[3,2,1-de][1,5]naphthyridin-7(5H)-one, 5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP *CP*GP*CP*AP*C)-3', 5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*TP*AP*CP*CP*TP *AP*CP*GP*GP*CP*T)-3', ...
著者Miles, T.J, Hennessy, A.J, Bax, B, Brooks, G, Brown, B.S, Brown, P, Cailleau, N, Chen, D, Dabbs, S, Davies, D.T, Esken, J.M, Giordano, I, Hoover, J.L, Huang, J, Jones, G.E, Sukmar, S.K.K, Spitzfaden, C, Markwell, R.E, Minthorn, E.A, Rittenhouse, S, Gwynn, M.N, Pearson, N.D.
登録日2013-06-20
公開日2013-08-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Novel Hydroxyl Tricyclics (E.G., Gsk966587) as Potent Inhibitors of Bacterial Type Iia Topoisomerases.
Bioorg.Med.Chem.Lett., 23, 2013
4BPM
DownloadVisualize
BU of 4bpm by Molmil
Crystal structure of a human integral membrane enzyme
分子名称: 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide, GLUTATHIONE, PROSTAGLANDIN E SYNTHASE, ...
著者Li, D, Wang, M, Olieric, V, Caffrey, M.
登録日2013-05-27
公開日2014-04-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystallizing Membrane Proteins in the Lipidic Mesophase. Experience with Human Prostaglandin E2 Synthase 1 and an Evolving Strategy.
Cryst.Growth Des., 14, 2014
7NBG
DownloadVisualize
BU of 7nbg by Molmil
Crystal structure of human serine racemase in complex with DSiP fragment Z52314092, XChem fragment screen.
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, ...
著者Koulouris, C.R, Roe, S.M.
登録日2021-01-26
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 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
7NBH
DownloadVisualize
BU of 7nbh by Molmil
Crystal structure of human serine racemase in complex with DSiP fragment Z26781964, XChem fragment screen.
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Koulouris, C.R, Roe, S.M.
登録日2021-01-26
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.77 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
7NBD
DownloadVisualize
BU of 7nbd by Molmil
Crystal structure of human serine racemase in complex with DSiP fragment Z235449082, XChem fragment screen.
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
著者Koulouris, C.R, Roe, S.M.
登録日2021-01-26
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.865 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
7NBF
DownloadVisualize
BU of 7nbf by Molmil
Crystal structure of human serine racemase in complex with DSiP fragment Z126932614, XChem fragment screen.
分子名称: 1,2-ETHANEDIOL, 2-[(methylsulfonyl)methyl]-1H-benzimidazole, CALCIUM ION, ...
著者Koulouris, C.R, Roe, S.M.
登録日2021-01-26
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
7NBC
DownloadVisualize
BU of 7nbc by Molmil
Crystal structure of human serine racemase in complex with DSiP fragment Z2856434779, XChem fragment screen.
分子名称: 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, ...
著者Koulouris, C.R, Roe, S.M.
登録日2021-01-26
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.71 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
6HPU
DownloadVisualize
BU of 6hpu by Molmil
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
6HPH
DownloadVisualize
BU of 6hph by Molmil
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
6HPT
DownloadVisualize
BU of 6hpt by Molmil
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

219869

件を2024-05-15に公開中

PDB statisticsPDBj update infoContact PDBjnumon