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7UYD
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BU of 7uyd by Molmil
Inhibitor bound VIM1
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ...
著者Fischmann, T.O, Scapin, G.
登録日2022-05-06
公開日2023-05-24
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Structure Guided Discovery of Novel Pan Metallo-beta-Lactamase Inhibitors with Improved Gram-Negative Bacterial Cell Penetration.
J.Med.Chem., 67, 2024
3JUT
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BU of 3jut by Molmil
Acidic Fibroblast Growth Factor (FGF-1) complexed with gentisic acid
分子名称: 2,5-dihydroxybenzoic acid, Heparin-binding growth factor 1
著者Fernandez, I.S, Gimenez-Gallego, G, Romero, A.
登録日2009-09-15
公開日2010-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Gentisic acid, a compound associated with plant defense and a metabolite of aspirin, heads a new class of in vivo fibroblast growth factor inhibitors.
J.Biol.Chem., 285, 2010
1QBO
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BU of 1qbo by Molmil
BOVINE TRYPSIN 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID ZK-806711 INHIBITOR COMPLEX
分子名称: 7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID, CALCIUM ION, PROTEIN (TRYPSIN)
著者Whitlow, M.
登録日1999-04-26
公開日2000-05-03
最終更新日2014-03-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
7DMG
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BU of 7dmg by Molmil
Short chain dehydrogenase 2 (SCR2) crystal structure with NADP
分子名称: (S)-specific carbonyl reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-12-03
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DLM
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BU of 7dlm by Molmil
Short chain dehydrogenase (SCR) crystal structure with NADPH
分子名称: Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-11-28
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DN1
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BU of 7dn1 by Molmil
Hetero-oligomers of SCR-SCR2 crystal structure with NADPH
分子名称: (S)-specific carbonyl reductase, Carbonyl Reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-12-08
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DLD
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BU of 7dld by Molmil
Crystal structures of (S)-carbonyl reductases from Candida parapsilosis in different oligomerization states
分子名称: Carbonyl Reductase, MAGNESIUM ION
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-11-27
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7DLL
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BU of 7dll by Molmil
Short chain dehydrogenase 2 (SCR2) crystal structure with NADPH
分子名称: (S)-specific carbonyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Li, Y.H, Zhang, R.Z, Forouhar, F, Wang, C, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2020-11-28
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
5FE4
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BU of 5fe4 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment MB364 (fragment 5)
分子名称: 1,2-ETHANEDIOL, 2,3-dihydro-1,4-benzodioxine-5-carboxamide, Histone acetyltransferase KAT2B
著者Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-12-16
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
7WQO
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BU of 7wqo by Molmil
Structure of Adeno-associated virus serotype PHP.eB
分子名称: Capsid protein VP1
著者Xu, G, Lou, Z.
登録日2022-01-25
公開日2022-06-15
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Structural basis for the neurotropic AAV9 and the engineered AAVPHP.eB recognition with cellular receptors.
Mol Ther Methods Clin Dev, 26, 2022
7WQP
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BU of 7wqp by Molmil
Adeno-associated virus serotype PHP.eB in complex with AAVR
分子名称: Capsid protein VP1, Dyslexia-associated protein KIAA0319-like protein
著者Xu, G, Lou, Z.
登録日2022-01-25
公開日2022-06-15
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.76 Å)
主引用文献Structural basis for the neurotropic AAV9 and the engineered AAVPHP.eB recognition with cellular receptors.
Mol Ther Methods Clin Dev, 26, 2022
7WJW
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BU of 7wjw by Molmil
Structure of Adeno-associated virus serotype 9
分子名称: Capsid protein VP1
著者Xu, G, Lou, Z.
登録日2022-01-08
公開日2022-06-15
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.87 Å)
主引用文献Structural basis for the neurotropic AAV9 and the engineered AAVPHP.eB recognition with cellular receptors.
Mol Ther Methods Clin Dev, 26, 2022
7WJX
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BU of 7wjx by Molmil
Adeno-associated virus serotype 9 in complex with AAVR
分子名称: Capsid protein VP1, Dyslexia-associated protein KIAA0319-like protein
著者Xu, G, Lou, Z.
登録日2022-01-08
公開日2022-06-15
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural basis for the neurotropic AAV9 and the engineered AAVPHP.eB recognition with cellular receptors.
Mol Ther Methods Clin Dev, 26, 2022
5FE5
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BU of 5fe5 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment MB093 (fragment 7)
分子名称: 1,2-ETHANEDIOL, 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, DIMETHYL SULFOXIDE, ...
著者Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-12-16
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
1HQY
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BU of 1hqy by Molmil
Nucleotide-Dependent Conformational Changes in a Protease-Associated ATPase HslU
分子名称: ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK LOCUS HSLU, HEAT SHOCK LOCUS HSLV
著者Wang, J, Song, J.J, Seong, I.S, Franklin, M.C, Kamtekar, S, Eom, S.H, Chung, C.H.
登録日2000-12-20
公開日2001-11-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Nucleotide-dependent conformational changes in a protease-associated ATPase HsIU.
Structure, 9, 2001
5FE1
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BU of 5fe1 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment BR004 (fragment 1)
分子名称: 1,2-ETHANEDIOL, 1-METHYLQUINOLIN-2(1H)-ONE, Histone acetyltransferase KAT2B
著者Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-12-16
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
5FE8
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BU of 5fe8 by Molmil
Crystal structure of human PCAF bromodomain in complex with compound SL1126 (compound 12)
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Histone acetyltransferase KAT2B, ...
著者Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-12-16
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
6FEK
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BU of 6fek by Molmil
Oncogenic point mutation of RET receptor tyrosine kinase
分子名称: ADENOSINE, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret
著者McDonald, N.Q, Kohno, T.
登録日2018-01-02
公開日2018-02-28
最終更新日2018-05-02
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A secondary RET mutation in the activation loop conferring resistance to vandetanib.
Nat Commun, 9, 2018
2GW2
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BU of 2gw2 by Molmil
Crystal structure of the peptidyl-prolyl isomerase domain of human cyclophilin G
分子名称: Peptidyl-prolyl cis-trans isomerase G, UNKNOWN ATOM OR ION
著者Bernstein, G, Tempel, W, Davis, T, Newman, E.M, Finerty Jr, P.J, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2006-05-03
公開日2006-06-13
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerases.
PLoS Biol., 8, 2010
5FE2
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BU of 5fe2 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment BR013 (fragment 3)
分子名称: 1,2-ETHANEDIOL, 2-methyl-3~{H}-isoindol-1-one, Histone acetyltransferase KAT2B
著者Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-12-16
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
5FE9
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BU of 5fe9 by Molmil
Crystal structure of human PCAF bromodomain in complex with compound SL1122 (compound 13)
分子名称: 1,2-ETHANEDIOL, Histone acetyltransferase KAT2B, ~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide
著者Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-12-16
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
5FE6
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BU of 5fe6 by Molmil
Crystal structure of human PCAF bromodomain in complex with fragment ZB1916 (fragment 10)
分子名称: (4-azanylpiperidin-1-yl)-cyclopropyl-methanone, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-12-16
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59, 2016
1HT1
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BU of 1ht1 by Molmil
Nucleotide-Dependent Conformational Changes in a Protease-Associated ATPase HslU
分子名称: ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK LOCUS HSLU, HEAT SHOCK LOCUS HSLV
著者Wang, J, Song, J.J, Seong, I.S, Franklin, M.C, Kamtekar, S, Eom, S.H, Chung, C.H.
登録日2000-12-27
公開日2001-11-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Nucleotide-dependent conformational changes in a protease-associated ATPase HsIU.
Structure, 9, 2001
3P5O
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BU of 3p5o by Molmil
Crystal Structure of the First Bromodomain of Human Brd4 in complex with IBET inhibitor
分子名称: 1,2-ETHANEDIOL, 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 4
著者Chung, C.
登録日2010-10-09
公開日2010-11-17
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Suppression of inflammation by a synthetic histone mimic
Nature, 468, 2010
1HT2
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BU of 1ht2 by Molmil
Nucleotide-Dependent Conformational Changes in a Protease-Associated ATPase HslU
分子名称: ADENOSINE-5'-DIPHOSPHATE, HEAT SHOCK LOCUS HSLU, HEAT SHOCK LOCUS HSLV
著者Wang, J, Song, J.J, Seong, I.S, Franklin, M.C, Kamtekar, S, Eom, S.H, Chung, C.H.
登録日2000-12-27
公開日2001-11-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Nucleotide-dependent conformational changes in a protease-associated ATPase HsIU.
Structure, 9, 2001

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