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PDB: 1560 件
7G8T
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BU of 7g8t by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1273312142
分子名称: 2-ethoxy-3-fluoro-N,N-dimethylbenzamide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.385 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G8U
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ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z131833926
分子名称: (3S)-3-{[(4R)-4-methyl-3,4-dihydropyridin-1(2H)-yl]methyl}-3H-indole, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G8M
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ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1255459547
分子名称: DIMETHYL SULFOXIDE, FORMIC ACID, N-(1H-indol-7-yl)acetamide, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.029 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G92
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ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1545313172
分子名称: (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.872 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G95
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ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z165170770
分子名称: DIMETHYL SULFOXIDE, FORMIC ACID, N-methyl-4-sulfamoylbenzamide, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G9C
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BU of 7g9c by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102141-001
分子名称: DIMETHYL SULFOXIDE, FORMIC ACID, N-[2-(methanesulfonyl)phenyl]acetamide, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.686 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G8Q
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ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1269220427
分子名称: 8-(methanesulfonyl)quinoline, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.561 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G96
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ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1203730981
分子名称: 2-bromo-1H-imidazole, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G9E
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ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with PCM-0102197-001
分子名称: DIMETHYL SULFOXIDE, FORMIC ACID, N-(3-methyl-1,2-oxazol-5-yl)acetamide, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
5AQ6
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Structure of E. coli ZinT at 1.79 Angstrom
分子名称: ACETIC ACID, METAL-BINDING PROTEIN ZINT, ZINC ION
著者Santo, P.E, Colaco, H.G, Matias, P, Vicente, J.B, Bandeiras, T.M.
登録日2015-09-21
公開日2016-01-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Roles of Escherichia Coli Zint in Cobalt, Mercury and Cadmium Resistance and Structural Insights Into the Metal Binding Mechanism
Metallomics, 8, 2016
6UXQ
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Crystal structure of BAK core domain BH3-groove-dimer in complex with POPC and C8E4
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, 1,2-ETHANEDIOL, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, ...
著者Cowan, A.D, Colman, P.M, Czabotar, P.E.
登録日2019-11-07
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.696 Å)
主引用文献BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
6V8U
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Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a modified Kaiso binding sequence (KBS)
分子名称: CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*CP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*GP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), ...
著者Nikolova, E.N, Stanfield, R.L, Dyson, H.J, Wright, P.E.
登録日2019-12-12
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.103 Å)
主引用文献A Conformational Switch in the Zinc Finger Protein Kaiso Mediates Differential Readout of Specific and Methylated DNA Sequences.
Biochemistry, 59, 2020
6VBZ
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Crystal structure of the rat MLKL pseudokinase domain
分子名称: MANGANESE (II) ION, Mixed lineage kinase domain-like pseudokinase
著者Davies, K.A, Czabotar, P.E.
登録日2019-12-19
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.192 Å)
主引用文献Distinct pseudokinase domain conformations underlie divergent activation mechanisms among vertebrate MLKL orthologues.
Nat Commun, 11, 2020
6UXN
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BU of 6uxn by Molmil
Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine
分子名称: Bcl-2 homologous antagonist/killer, GLYCEROL, O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, ...
著者Cowan, A.D, Colman, P.M, Czabotar, P.E.
登録日2019-11-07
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
6UXP
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BU of 6uxp by Molmil
Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylglycerol
分子名称: 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL), Bcl-2 homologous antagonist/killer, GLYCEROL
著者Cowan, A.D, Colman, P.M, Czabotar, P.E.
登録日2019-11-07
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.492 Å)
主引用文献BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
6UXM
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Crystal structure of BAK core domain BH3-groove-dimer in complex with E. coli lipid
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Bcl-2 homologous antagonist/killer
著者Cowan, A.D, Colman, P.M, Czabotar, P.E.
登録日2019-11-07
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
6UXR
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Crystal structure of BAK core domain BH3-groove-dimer in complex with LysoPC
分子名称: Bcl-2 homologous antagonist/killer, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL, ...
著者Cowan, A.D, Colman, P.M, Czabotar, P.E.
登録日2019-11-07
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献BAK core dimers bind lipids and can be bridged by them.
Nat.Struct.Mol.Biol., 27, 2020
6VC0
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Crystal structure of the horse MLKL pseudokinase domain
分子名称: GLYCEROL, Mixed lineage kinase domain like pseudokinase
著者Davies, K.A, Czabotar, P.E.
登録日2019-12-19
公開日2020-07-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.746 Å)
主引用文献Distinct pseudokinase domain conformations underlie divergent activation mechanisms among vertebrate MLKL orthologues.
Nat Commun, 11, 2020
6UVC
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Crystal structure of BCL-XL bound to compound 8: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
分子名称: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVE
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BU of 6uve by Molmil
Crystal structure of BCL-XL bound to compound 7: (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid
分子名称: (R)-3-(Benzylthio)-2-(3-(4-chloro-[1,1':2',1'':3'',1'''-quaterphenyl]-4'''-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1
著者Roy, M.J, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVD
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Crystal structure of BCL-XL bound to compound 2: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid
分子名称: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVH
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Crystal structure of BCL-XL bound to compound 15: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
分子名称: (R)-2-(3-(2-((4'-Chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVF
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Crystal structure of BCL-XL bound to compound 12: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid
分子名称: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-((cyclohexylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6UVG
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Crystal structure of BCL-XL bound to compound 13: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid
分子名称: (R)-2-(3-([1,1'-Biphenyl]-4-carbonyl)-3-(4-methylbenzyl)ureido)-3-(((3R,5R,7R)-adamantan-1-ylmethyl)sulfonyl)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ...
著者Roy, M.J, Lessene, G, Czabotar, P.E.
登録日2019-11-02
公開日2021-05-05
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2.
J.Med.Chem., 64, 2021
6VUB
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Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 5 (1-methyl-4-phenylpyrrolidin-2-one)
分子名称: (4R)-1-methyl-4-phenylpyrrolidin-2-one, Bromodomain-containing protein 4
著者Ilyichova, O.V, Scanlon, M.J, Thompson, P.E.
登録日2020-02-14
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Substituted 1-methyl-4-phenylpyrrolidin-2-ones - Fragment-based design of N-methylpyrrolidone-derived bromodomain inhibitors.
Eur.J.Med.Chem., 191, 2020

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件を2024-11-06に公開中

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