5TI5
 
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841880 | | Descriptor: | 1,2-ETHANEDIOL, 3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4 | | Authors: | Zhu, J.-Y, Ember, S.W.J, Schonbrunn, E. | | Deposit date: | 2016-10-01 | | Release date: | 2017-08-09 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations.
ACS Omega, 2, 2017
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5TI4
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841871 | | Descriptor: | 1,2-ETHANEDIOL, 3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4 | | Authors: | Zhu, J.-Y, Ember, S.W.J, SCHONBRUNN, E. | | Deposit date: | 2016-09-30 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations.
ACS Omega, 2, 2017
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7FBJ
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing nanobody 17F6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, ... | | Authors: | Zhu, J, Xu, T, Feng, B, Liu, J. | | Deposit date: | 2021-07-11 | | Release date: | 2022-07-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
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6BK4
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6KKG
 | | Crystal structure of MAGI2-Dendrin complex | | Descriptor: | Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, Peptide from Dendrin | | Authors: | Zhu, J.W, Zhang, H.J, Lin, L, Zhang, R.G. | | Deposit date: | 2019-07-25 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Phase separation of MAGI2-mediated complex underlies formation of slit diaphragm complex in glomerular filtration barrier
To Be Published
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2QVO
 | | Crystal structure of AF1382 from Archaeoglobus fulgidus | | Descriptor: | Uncharacterized protein AF_1382 | | Authors: | Zhu, J, Zhao, M, Fu, Z.-Q, Yang, H, Chang, J, Hao, X, Chen, L, Liu, Z.J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2007-08-08 | | Release date: | 2007-09-04 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of AF1382 from Archaeoglobus fulgidus.
To be Published
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7FBK
 | | Crystal structure of SARS-CoV-2 receptor binding domain N501Y mutant in complex with neutralizing nanobody 20G6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, New antigen receptor variable domain, Spike protein S1 | | Authors: | Zhu, J, Xu, T, Feng, B, Liu, J. | | Deposit date: | 2021-07-11 | | Release date: | 2022-07-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Class of Shark-Derived Single-Domain Antibodies can Broadly Neutralize SARS-Related Coronaviruses and the Structural Basis of Neutralization and Omicron Escape.
Small Methods, 6, 2022
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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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2P3E
 | | Crystal structure of AQ1208 from Aquifex aeolicus | | Descriptor: | Diaminopimelate decarboxylase | | Authors: | Zhu, J, Swindell II, J.T, Chen, L, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Fu, Z.-Q, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-03-08 | | Release date: | 2007-05-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | To be Published
To be Published
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2P17
 | | Crystal structure of GK1651 from Geobacillus kaustophilus | | Descriptor: | FE (III) ION, Pirin-like protein | | Authors: | Zhu, J, Swindell II, J.T, Chen, L, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Fu, Z.-Q, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-03-02 | | Release date: | 2007-05-01 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystal structure of GK1651 from Geobacillus kaustophilus
To be Published
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7T62
 | | GPC2 HEP CT3 complex | | Descriptor: | CT3, Glypican-2 | | Authors: | Zhu, J, Cachau, R, De Val Alda, N, Li, N, Ho, M. | | Deposit date: | 2021-12-13 | | Release date: | 2021-12-22 | | Method: | ELECTRON MICROSCOPY (21 Å) | | Cite: | CAR T cells targeting tumor-associated exons of glypican 2 regress neuroblastoma in mice.
Cell Rep Med, 2, 2021
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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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7VRU
 | | Crystal structure of PacII_M1M2S-DNA-SAH complex | | Descriptor: | DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ... | | Authors: | Zhu, J, Gao, P. | | Deposit date: | 2021-10-25 | | Release date: | 2022-11-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems.
Nat Commun, 13, 2022
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7VS4
 | | Crystal structure of PacII_M1M2S-DNA(m6A)-SAH complex | | Descriptor: | DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ... | | Authors: | Zhu, J, Gao, P. | | Deposit date: | 2021-10-25 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems.
Nat Commun, 13, 2022
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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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5VD7
 | | CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-098, a MK1775 analogue | | Descriptor: | 1,2-ETHANEDIOL, 6-{[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ... | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2017-04-01 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural basis of Wee family kinase inhibition by small molecules
to be published
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5VD5
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5VDA
 | | Crystal structure of human WEE1 kinase domain in complex with RAC-IV-101, a MK1775 analogue | | Descriptor: | 1,2-ETHANEDIOL, 1-{6-[(1S)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ... | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2017-04-01 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of Wee family kinase inhibition by small molecules
to be published
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5VD9
 | | Crystal structure of human WEE1 kinase domain in complex with RAC-IV-097, a MK1775 analogue | | Descriptor: | 1,2-ETHANEDIOL, 1-{6-[(1R)-1-hydroxyethyl]pyridin-2-yl}-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ... | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2017-04-01 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural basis of Wee family kinase inhibition by small molecules
to be published
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5VD4
 | | CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-016, a MK1775 analougue | | Descriptor: | 1,2-ETHANEDIOL, 6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1-{6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyridin-2-yl}-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ... | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2017-04-01 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural basis of Wee family kinase inhibition by small molecules
to be published
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5VD8
 | | Crystal structure of human WEE1 kinase domain in complex with RAC-IV-099, a MK1775 analogue | | Descriptor: | 1,2-ETHANEDIOL, 6-{[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, CHLORIDE ION, ... | | Authors: | Zhu, J.-Y, Schonbrunn, E. | | Deposit date: | 2017-04-01 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural basis of Wee family kinase inhibition by small molecules
to be published
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2IEL
 | | CRYSTAL STRUCTURE OF TT0030 from Thermus Thermophilus | | Descriptor: | Hypothetical Protein TT0030 | | Authors: | Zhu, J, Huang, J, Stepanyuk, G, Chen, L, Chang, J, Zhao, M, Xu, H, Liu, Z.J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2006-09-19 | | Release date: | 2006-11-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | CRYSTAL STRUCTURE OF TT0030 from Thermus Thermophilus AT 1.6 ANGSTROMS RESOLUTION
To be Published
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2KBK
 | | Solution Structure of BmK-M10 | | Descriptor: | Neurotoxin BmK-M10 | | Authors: | Zhu, J, Wu, H. | | Deposit date: | 2008-11-28 | | Release date: | 2009-12-22 | | Last modified: | 2019-12-11 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of BmK-M10
To be Published
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2KBJ
 | | solution structure of BmKalphaTx11 (minor conformation) | | Descriptor: | Toxin Bmka2 | | Authors: | Zhu, J, Wu, H. | | Deposit date: | 2008-11-28 | | Release date: | 2009-12-08 | | Last modified: | 2022-03-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of BmKalphaTx11, a toxin from the venom of the Chinese scorpion Buthus martensii Karsch
Biochem.Biophys.Res.Commun., 391, 2010
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2KBH
 | | solution structure of BmKalphaTx11 (major conformation) | | Descriptor: | Toxin Bmka2 | | Authors: | Zhu, J, Wu, H. | | Deposit date: | 2008-11-28 | | Release date: | 2009-12-08 | | Last modified: | 2019-12-11 | | Method: | SOLUTION NMR | | Cite: | Solution structure of BmKalphaTx11, a toxin from the venom of the Chinese scorpion Buthus martensii Karsch
Biochem.Biophys.Res.Commun., 391, 2010
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