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PDB: 318 results

5MWZ
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BU of 5mwz by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ073
Descriptor: Peregrin, ~{N}-[1,4-diethyl-2,3-bis(oxidanylidene)-7-piperidin-1-yl-quinoxalin-6-yl]-2-(4-methylpiperazin-1-yl)ethanamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-01-20
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5NLK
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BU of 5nlk by Molmil
Crystal structure of CREBBP bromodomain complexd with US13A
Descriptor: CREB-binding protein, ~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-04-04
Release date:2018-02-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
ACS Cent Sci, 4, 2018
5O55
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BU of 5o55 by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ047
Descriptor: NITRATE ION, Peregrin, ~{N}-[(1~{S})-1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-05-31
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O5A
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BU of 5o5a by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ032
Descriptor: 1-ethyl-~{N}-methyl-2,3-bis(oxidanylidene)-~{N}-[(1-phenylpyrazol-4-yl)methyl]-4~{H}-quinoxaline-6-carboxamide, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-06-01
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O97
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BU of 5o97 by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106
Descriptor: (5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Zhu, J, Marchand, J.R, Caflisch, A.
Deposit date:2017-06-15
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106
To Be Published
5O4S
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BU of 5o4s by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ135
Descriptor: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-05-30
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O4T
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BU of 5o4t by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ061
Descriptor: 1,4-dimethylquinoxaline-2,3-dione, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-05-30
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O5F
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BU of 5o5f by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ038
Descriptor: 1-ethyl-~{N}-[(~{R})-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-bis(oxidanylidene)-4~{H}-quinoxaline-6-carboxamide, NITRATE ION, Peregrin
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-06-01
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.302 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
5O5H
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BU of 5o5h by Molmil
Crystal structure of the human BRPF1 bromodomain in complex with BZ053
Descriptor: NITRATE ION, Peregrin, ~{N}-[6-(4-chloranylphenoxy)pyridin-3-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2017-06-01
Release date:2018-06-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
3WP1
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BU of 3wp1 by Molmil
Phosphorylation-dependent interaction between tumor suppressors Dlg and Lgl
Descriptor: Disks large homolog 4, Lethal(2) giant larvae protein homolog 2, SULFATE ION
Authors:Zhu, J, Shang, Y, Wan, Q, Xia, Y, Chen, J, Du, Q, Zhang, M.
Deposit date:2014-01-08
Release date:2014-03-19
Last modified:2014-04-30
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Phosphorylation-dependent interaction between tumor suppressors Dlg and Lgl
Cell Res., 24, 2014
3WP0
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BU of 3wp0 by Molmil
Crystal structure of Dlg GK in complex with a phosphor-Lgl2 peptide
Descriptor: Disks large homolog 4, GLYCEROL, Lethal(2) giant larvae protein homolog 2
Authors:Zhu, J, Shang, Y, Wan, Q, Xia, Y, Chen, J, Du, Q, Zhang, M.
Deposit date:2014-01-08
Release date:2014-03-19
Last modified:2014-04-30
Method:X-RAY DIFFRACTION (2.039 Å)
Cite:Phosphorylation-dependent interaction between tumor suppressors Dlg and Lgl
Cell Res., 24, 2014
3FCU
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BU of 3fcu by Molmil
Structure of headpiece of integrin aIIBb3 in open conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, CALCIUM ION, ...
Authors:Zhu, J, Luo, B.-H, Xiao, T, Zhang, C, Nishida, N, Springer, T.A.
Deposit date:2008-11-22
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a complete integrin ectodomain in a physiologic resting state and activation and deactivation by applied forces.
Mol.Cell, 32, 2008
3FCS
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BU of 3fcs by Molmil
Structure of complete ectodomain of integrin aIIBb3
Descriptor: 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, ...
Authors:Zhu, J, Luo, B.-H, Xiao, T, Zhang, C, Nishida, N, Springer, T.A.
Deposit date:2008-11-22
Release date:2009-01-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of a complete integrin ectodomain in a physiologic resting state and activation and deactivation by applied forces.
Mol.Cell, 32, 2008
1ZNN
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BU of 1znn by Molmil
Structure of the synthase subunit of PLP synthase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, PLP SYNTHASE, SULFATE ION
Authors:Zhu, J, Burgner, J.W, Harms, E, Belitsky, B.R, Smith, J.L.
Deposit date:2005-05-11
Release date:2005-05-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A New Arrangement of (beta/alpha)8 Barrels in the Synthase Subunit of PLP Synthase.
J.Biol.Chem., 280, 2005
4YLM
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BU of 4ylm by Molmil
Structure of PvcB, an Fe, alpha-ketoglutarate dependent oxygenase from an isonitrile synthetic pathway
Descriptor: GLYCEROL, Pyoverdine biosynthesis protein PvcB
Authors:Zhu, J, Lippa, G.M, Gulick, A.M, Tipton, P.A.
Deposit date:2015-03-05
Release date:2015-04-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Examining Reaction Specificity in PvcB, a Source of Diversity in Isonitrile-Containing Natural Products.
Biochemistry, 54, 2015
5YPR
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BU of 5ypr by Molmil
Crystal Structure of PSD-95 SH3-GK domain in complex with a synthesized inhibitor
Descriptor: Disks large homolog 4, Synthesized GK inhibitor
Authors:Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhu, R, Zhang, M.
Deposit date:2017-11-02
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017
4XEJ
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BU of 4xej by Molmil
IRES bound to bacterial Ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Zhu, J, Korostelev, A, Noller, H.F, Donohue, J.P.
Deposit date:2014-12-23
Release date:2015-02-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Initiation of translation in bacteria by a structured eukaryotic IRES RNA.
Nature, 519, 2015
6QST
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BU of 6qst by Molmil
Structure of CREBBP bromodomain with compound 2 bound
Descriptor: CREB-binding protein, ~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
Authors:Zhu, J, Sledz, P, Caflisch, A.
Deposit date:2019-02-22
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of CREBBP bromodomain with compound 2 bound
To Be Published
6JMT
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BU of 6jmt by Molmil
Crystal structure of GIT/PIX complex
Descriptor: ARF GTPase-activating protein GIT2, ZINC ION, beta PIX
Authors:Zhu, J, Lin, L, Xia, Y, Zhang, R, Zhang, M.
Deposit date:2019-03-13
Release date:2020-05-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:GIT/PIX Condensates Are Modular and Ideal for Distinct Compartmentalized Cell Signaling.
Mol.Cell, 79, 2020
6JMU
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BU of 6jmu by Molmil
Crystal structure of GIT1/Paxillin complex
Descriptor: ARF GTPase-activating protein GIT1, Paxillin
Authors:Zhu, J, Lin, L, Xia, Y, Zhang, R, Zhang, M.
Deposit date:2019-03-13
Release date:2020-05-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:GIT/PIX Condensates Are Modular and Ideal for Distinct Compartmentalized Cell Signaling.
Mol.Cell, 79, 2020
7TCT
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BU of 7tct by Molmil
Integrin alaphIIBbeta3 complex with UR2922
Descriptor: 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, ...
Authors:Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
Deposit date:2021-12-28
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7TD8
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BU of 7td8 by Molmil
Integrin alaphIIBbeta3 complex with Tirofiban
Descriptor: 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, ...
Authors:Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
Deposit date:2021-12-30
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
3T3P
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BU of 3t3p by Molmil
A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS
Descriptor: 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, ...
Authors:Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2011-07-25
Release date:2012-03-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-Guided Design of a High-Affinity Platelet Integrin alphaIIbbeta3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS
Sci Transl Med, 4, 2012
3T3M
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BU of 3t3m by Molmil
A Novel High Affinity Integrin alphaIIbbeta3 Receptor Antagonist That Unexpectedly Displaces Mg2+ from the beta3 MIDAS
Descriptor: 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, ...
Authors:Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2011-07-25
Release date:2012-03-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Guided Design of a High-Affinity Platelet Integrin alphaIIbbeta3 Receptor Antagonist That Disrupts Mg2+ Binding to the MIDAS
Sci Transl Med, 4, 2012
6FQO
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BU of 6fqo by Molmil
Crystal structure of CREBBP bromodomain complexd with DT29
Descriptor: 1,2-ETHANEDIOL, CREB-binding protein, ~{N}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
Authors:Zhu, J, Caflisch, A.
Deposit date:2018-02-14
Release date:2018-08-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018

222036

數據於2024-07-03公開中

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