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PDB: 457 件
5TI5
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BU of 5ti5 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841880
分子名称: 1,2-ETHANEDIOL, 3-bromo-N-[3-(2-oxo-2,3-dihydro-1H-pyrrol-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4
著者Zhu, J.-Y, Ember, S.W.J, Schonbrunn, E.
登録日2016-10-01
公開日2017-08-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations.
ACS Omega, 2, 2017
5TI4
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BU of 5ti4 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR 8841871
分子名称: 1,2-ETHANEDIOL, 3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide, Bromodomain-containing protein 4
著者Zhu, J.-Y, Ember, S.W.J, SCHONBRUNN, E.
登録日2016-09-30
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Identification of a Novel Class of BRD4 Inhibitors by Computational Screening and Binding Simulations.
ACS Omega, 2, 2017
7FBJ
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BU of 7fbj by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing nanobody 17F6
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, New antigen receptor variable domain, ...
著者Zhu, J, Xu, T, Feng, B, Liu, J.
登録日2021-07-11
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献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
6BK4
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BU of 6bk4 by Molmil
Crystal structure of the HR-1 domain of Drosophila caprin in the P212121 space group
分子名称: Caprin homolog
著者Zhu, J, Wu, Y, Huang, X, Du, Z.
登録日2017-11-07
公開日2018-11-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of a dimerization domain of Drosophila Caprin: further supports the assembly of an evolutionarily conserved ribonucleoprotein complex containing Caprin and FMRP
To Be Published
6KKG
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BU of 6kkg by Molmil
Crystal structure of MAGI2-Dendrin complex
分子名称: Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 2, Peptide from Dendrin
著者Zhu, J.W, Zhang, H.J, Lin, L, Zhang, R.G.
登録日2019-07-25
公開日2020-07-29
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Phase separation of MAGI2-mediated complex underlies formation of slit diaphragm complex in glomerular filtration barrier
To Be Published
2QVO
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BU of 2qvo by Molmil
Crystal structure of AF1382 from Archaeoglobus fulgidus
分子名称: Uncharacterized protein AF_1382
著者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)
登録日2007-08-08
公開日2007-09-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of AF1382 from Archaeoglobus fulgidus.
To be Published
7FBK
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BU of 7fbk by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain N501Y mutant in complex with neutralizing nanobody 20G6
分子名称: 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
著者Zhu, J, Xu, T, Feng, B, Liu, J.
登録日2021-07-11
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
6JMT
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BU of 6jmt by Molmil
Crystal structure of GIT/PIX complex
分子名称: ARF GTPase-activating protein GIT2, ZINC ION, beta PIX
著者Zhu, J, Lin, L, Xia, Y, Zhang, R, Zhang, M.
登録日2019-03-13
公開日2020-05-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献GIT/PIX Condensates Are Modular and Ideal for Distinct Compartmentalized Cell Signaling.
Mol.Cell, 79, 2020
2P3E
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BU of 2p3e by Molmil
Crystal structure of AQ1208 from Aquifex aeolicus
分子名称: Diaminopimelate decarboxylase
著者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)
登録日2007-03-08
公開日2007-05-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献To be Published
To be Published
2P17
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BU of 2p17 by Molmil
Crystal structure of GK1651 from Geobacillus kaustophilus
分子名称: FE (III) ION, Pirin-like protein
著者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)
登録日2007-03-02
公開日2007-05-01
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystal structure of GK1651 from Geobacillus kaustophilus
To be Published
7T62
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BU of 7t62 by Molmil
GPC2 HEP CT3 complex
分子名称: CT3, Glypican-2
著者Zhu, J, Cachau, R, De Val Alda, N, Li, N, Ho, M.
登録日2021-12-13
公開日2021-12-22
実験手法ELECTRON MICROSCOPY (21 Å)
主引用文献CAR T cells targeting tumor-associated exons of glypican 2 regress neuroblastoma in mice.
Cell Rep Med, 2, 2021
6JMU
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BU of 6jmu by Molmil
Crystal structure of GIT1/Paxillin complex
分子名称: ARF GTPase-activating protein GIT1, Paxillin
著者Zhu, J, Lin, L, Xia, Y, Zhang, R, Zhang, M.
登録日2019-03-13
公開日2020-05-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献GIT/PIX Condensates Are Modular and Ideal for Distinct Compartmentalized Cell Signaling.
Mol.Cell, 79, 2020
7VRU
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BU of 7vru by Molmil
Crystal structure of PacII_M1M2S-DNA-SAH complex
分子名称: DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ...
著者Zhu, J, Gao, P.
登録日2021-10-25
公開日2022-11-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems.
Nat Commun, 13, 2022
7VS4
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BU of 7vs4 by Molmil
Crystal structure of PacII_M1M2S-DNA(m6A)-SAH complex
分子名称: DNA (25-mer), S-ADENOSYL-L-HOMOCYSTEINE, Site-specific DNA recognition subunit, ...
著者Zhu, J, Gao, P.
登録日2021-10-25
公開日2022-11-30
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Molecular insights into DNA recognition and methylation by non-canonical type I restriction-modification systems.
Nat Commun, 13, 2022
6QST
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BU of 6qst by Molmil
Structure of CREBBP bromodomain with compound 2 bound
分子名称: CREB-binding protein, ~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide
著者Zhu, J, Sledz, P, Caflisch, A.
登録日2019-02-22
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of CREBBP bromodomain with compound 2 bound
To Be Published
5VD7
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BU of 5vd7 by Molmil
CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-098, a MK1775 analogue
分子名称: 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, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-01
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural basis of Wee family kinase inhibition by small molecules
to be published
5VD5
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BU of 5vd5 by Molmil
CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-050, a MK1775 analougue
分子名称: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo [3,4-d]pyrimidin-3-one, CHLORIDE ION, Wee1-like protein kinase
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-01
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis of Wee family kinase inhibition by small molecules
to be published
5VDA
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BU of 5vda by Molmil
Crystal structure of human WEE1 kinase domain in complex with RAC-IV-101, a MK1775 analogue
分子名称: 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, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-01
公開日2018-04-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis of Wee family kinase inhibition by small molecules
to be published
5VD9
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BU of 5vd9 by Molmil
Crystal structure of human WEE1 kinase domain in complex with RAC-IV-097, a MK1775 analogue
分子名称: 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, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-01
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural basis of Wee family kinase inhibition by small molecules
to be published
5VD4
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BU of 5vd4 by Molmil
CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-016, a MK1775 analougue
分子名称: 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, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-01
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural basis of Wee family kinase inhibition by small molecules
to be published
5VD8
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BU of 5vd8 by Molmil
Crystal structure of human WEE1 kinase domain in complex with RAC-IV-099, a MK1775 analogue
分子名称: 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, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-01
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural basis of Wee family kinase inhibition by small molecules
to be published
2IEL
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BU of 2iel by Molmil
CRYSTAL STRUCTURE OF TT0030 from Thermus Thermophilus
分子名称: Hypothetical Protein TT0030
著者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)
登録日2006-09-19
公開日2006-11-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献CRYSTAL STRUCTURE OF TT0030 from Thermus Thermophilus AT 1.6 ANGSTROMS RESOLUTION
To be Published
2KBK
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BU of 2kbk by Molmil
Solution Structure of BmK-M10
分子名称: Neurotoxin BmK-M10
著者Zhu, J, Wu, H.
登録日2008-11-28
公開日2009-12-22
最終更新日2019-12-11
実験手法SOLUTION NMR
主引用文献Solution Structure of BmK-M10
To be Published
2KBJ
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BU of 2kbj by Molmil
solution structure of BmKalphaTx11 (minor conformation)
分子名称: Toxin Bmka2
著者Zhu, J, Wu, H.
登録日2008-11-28
公開日2009-12-08
最終更新日2022-03-16
実験手法SOLUTION NMR
主引用文献Solution structure of BmKalphaTx11, a toxin from the venom of the Chinese scorpion Buthus martensii Karsch
Biochem.Biophys.Res.Commun., 391, 2010
2KBH
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BU of 2kbh by Molmil
solution structure of BmKalphaTx11 (major conformation)
分子名称: Toxin Bmka2
著者Zhu, J, Wu, H.
登録日2008-11-28
公開日2009-12-08
最終更新日2019-12-11
実験手法SOLUTION NMR
主引用文献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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