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PDB: 457 件

6FQU
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Crystal structure of CREBBP bromodomain complexd with DR09
分子名称: 1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone, CREB-binding protein
著者Zhu, J, Caflisch, A.
登録日2018-02-14
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
6FR0
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BU of 6fr0 by Molmil
Crystal structure of CREBBP bromodomain complexd with PB08
分子名称: CREB-binding protein, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2018-02-15
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
5OWK
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BU of 5owk by Molmil
Crystal structure of CREBBP bromodomain complexed with DSPB2A002
分子名称: CREB-binding protein, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2017-09-01
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
3FCS
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BU of 3fcs by Molmil
Structure of complete ectodomain of integrin aIIBb3
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, CALCIUM ION, ...
著者Zhu, J, Luo, B.-H, Xiao, T, Zhang, C, Nishida, N, Springer, T.A.
登録日2008-11-22
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of a complete integrin ectodomain in a physiologic resting state and activation and deactivation by applied forces.
Mol.Cell, 32, 2008
3RJR
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BU of 3rjr by Molmil
Crystal Structure of pro-TGF beta 1
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, Transforming growth factor beta-1
著者Zhu, J.H, Shi, M.L, Springer, T.A.
登録日2011-04-15
公開日2011-06-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Latent TGF-Beta structure and activation
Nature, 474, 2011
5OWW
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BU of 5oww by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with UT22B
分子名称: Bromodomain-containing protein 4, ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-09-04
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
7B55
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BU of 7b55 by Molmil
Crystal structure of CaMKII-actinin complex bound to MES
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-actinin-2, Calcium/calmodulin-dependent protein kinase type II subunit alpha
著者Zhu, J, Gold, M.
登録日2020-12-03
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of CaMKII-actinin complex bound to MES
To Be Published
7B56
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Crystal structure of CaMKII-actinin complex bound to AMPPNP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Alpha-actinin-2, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ...
著者Zhu, J, Gold, M.
登録日2020-12-03
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of CaMKII-actinin complex bound to MES
To Be Published
7B57
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BU of 7b57 by Molmil
Crystal structure of CaMKII-actinin complex bound to ADP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Alpha-actinin-2, ...
著者Zhu, J, Gold, M.
登録日2020-12-03
公開日2022-06-22
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of CaMKII-actinin complex bound to ADP
To Be Published
5COD
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BU of 5cod by Molmil
Bovine heart complex I membrane domain
分子名称: NADH-ubiquinone oxidoreductase chain 4, NADH-ubiquinone oxidoreductase chain 5, SDAP, ...
著者Zhu, J, Hirst, J, King, M.S, Yu, M, Leslie, A.G.W, Klipcan, L.
登録日2015-07-20
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (6.74 Å)
主引用文献Structure of subcomplex I beta of mammalian respiratory complex I leads to new supernumerary subunit assignments.
Proc.Natl.Acad.Sci.USA, 112, 2015
5D7X
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BU of 5d7x by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with XZ08
分子名称: 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-08-14
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J.Med.Chem., 59, 2016
3SWE
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BU of 3swe by Molmil
Haemophilus influenzae MurA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys117
分子名称: (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, GLYCEROL, SULFATE ION, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2011-07-13
公開日2012-03-14
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
3SWD
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BU of 3swd by Molmil
E. coli MurA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys115
分子名称: (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, UDP-N-acetylglucosamine 1-carboxyvinyltransferase
著者Zhu, J.-Y, Schonbrunn, E.
登録日2011-07-13
公開日2012-03-14
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Functional Consequence of Covalent Reaction of Phosphoenolpyruvate with UDP-N-acetylglucosamine 1-Carboxyvinyltransferase (MurA).
J.Biol.Chem., 287, 2012
3RO3
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BU of 3ro3 by Molmil
crystal structure of LGN/mInscuteable complex
分子名称: CHLORIDE ION, ETHANOL, G-protein-signaling modulator 2, ...
著者Zhu, J, Wen, W, Shang, Y, Wei, Z, Pan, Z, Wang, W, Zhang, M.
登録日2011-04-25
公開日2012-03-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献LGN/mInsc and LGN/NuMA complex structures suggest distinct functions in asymmetric cell division for the Par3/mInsc/LGN and G[alpha]i/LGN/NuMA pathways
Mol.Cell, 43, 2011
6FQT
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BU of 6fqt by Molmil
Crystal structure of CREBBP bromodomain complexd with DR46
分子名称: CREB-binding protein, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2018-02-14
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of CREBBP bromodomain complexd with DR46
To Be Published
5NLK
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BU of 5nlk by Molmil
Crystal structure of CREBBP bromodomain complexd with US13A
分子名称: CREB-binding protein, ~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-04-04
公開日2018-02-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
ACS Cent Sci, 4, 2018
6TS3
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BU of 6ts3 by Molmil
EF-hands 3 and 4 of alpha-actinin in complex with CaMKII regulatory segment
分子名称: ACE-ASN-ALA-ARG-ARG-LYS-LEU-LYS-GLY-ALA-ILE-LEU-THR-THR-MET-LEU-ALA-THR-ARG-ASN-PHE, ACETYL GROUP, Alpha-actinin-2
著者Zhu, J, Gold, M.
登録日2019-12-19
公開日2021-01-13
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献EF-hands 3 and 4 of alpha-actinin in complex with CaMKII regulatory segment
To Be Published
5OWB
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BU of 5owb by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004
分子名称: 4-methyl-6-oxidanyl-1-benzofuran-3-one, NITRATE ION, Peregrin
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2017-08-31
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004
To Be Published
5OVB
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BU of 5ovb by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with DR46
分子名称: Bromodomain-containing protein 4, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-08-28
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
5OWE
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BU of 5owe by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1010
分子名称: 1,3-bis(oxidanyl)benzo[c]chromen-6-one, NITRATE ION, Peregrin
著者Zhu, J, Spiliotopoulos, D, Caflisch, A.
登録日2017-08-31
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1010
To Be Published
5OWM
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BU of 5owm by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with UT48
分子名称: Bromodomain-containing protein 4, [3-[(3-methylbenzotriazol-5-yl)methyl]phenyl]methanol
著者Zhu, J, Caflisch, A.
登録日2017-09-01
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
5C85
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BU of 5c85 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED1
分子名称: 6-bromo-3,4-dihydroquinoxalin-2(1H)-one, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-06-25
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5C7N
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BU of 5c7n by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with Bromosporine
分子名称: Bromosporine, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-06-24
公開日2015-07-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5C87
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BU of 5c87 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED2
分子名称: NITRATE ION, Peregrin, isoquinolin-1(2H)-one
著者Zhu, J, Caflisch, A.
登録日2015-06-25
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016
5EWD
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BU of 5ewd by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with SEED18
分子名称: 4-phenylpyridine, NITRATE ION, Peregrin
著者Zhu, J, Caflisch, A.
登録日2015-11-20
公開日2016-05-25
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions.
J.Med.Chem., 59, 2016

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件を2024-05-29に公開中

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