5MWZ
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5NLK
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![BU of 5nlk by Molmil](/molmil-images/mine/5nlk) | 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
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5O55
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![BU of 5o55 by Molmil](/molmil-images/mine/5o55) | 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
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5O5A
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![BU of 5o5a by Molmil](/molmil-images/mine/5o5a) | 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
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5O97
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5O4S
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![BU of 5o4s by Molmil](/molmil-images/mine/5o4s) | 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
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5O4T
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5O5F
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![BU of 5o5f by Molmil](/molmil-images/mine/5o5f) | 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
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5O5H
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3WP1
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![BU of 3wp1 by Molmil](/molmil-images/mine/3wp1) | 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
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3WP0
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![BU of 3wp0 by Molmil](/molmil-images/mine/3wp0) | 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
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3FCU
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![BU of 3fcu by Molmil](/molmil-images/mine/3fcu) | 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
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3FCS
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![BU of 3fcs by Molmil](/molmil-images/mine/3fcs) | 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
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1ZNN
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![BU of 1znn by Molmil](/molmil-images/mine/1znn) | 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
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4YLM
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![BU of 4ylm by Molmil](/molmil-images/mine/4ylm) | 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
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5YPR
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![BU of 5ypr by Molmil](/molmil-images/mine/5ypr) | 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
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4XEJ
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![BU of 4xej by Molmil](/molmil-images/mine/4xej) | 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
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6QST
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![BU of 6qst by Molmil](/molmil-images/mine/6qst) | 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
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6JMT
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![BU of 6jmt by Molmil](/molmil-images/mine/6jmt) | 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
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6JMU
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![BU of 6jmu by Molmil](/molmil-images/mine/6jmu) | 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
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7TCT
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![BU of 7tct by Molmil](/molmil-images/mine/7tct) | 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
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7TD8
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![BU of 7td8 by Molmil](/molmil-images/mine/7td8) | 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
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3T3P
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![BU of 3t3p by Molmil](/molmil-images/mine/3t3p) | 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
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3T3M
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![BU of 3t3m by Molmil](/molmil-images/mine/3t3m) | 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
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6FQO
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![BU of 6fqo by Molmil](/molmil-images/mine/6fqo) | 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
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