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PDB: 457 件

4ERW
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CDK2 in complex with staurosporine
分子名称: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, STAUROSPORINE
著者Alam, R, Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
登録日2012-04-20
公開日2012-08-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2.
Chembiochem, 13, 2012
5B64
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BU of 5b64 by Molmil
A novel binding mode of MAGUK GK domain revealed by DLG GK domain in complex with KIF13B MBS domain
分子名称: DLG GK, GLYCEROL, Protein Kif13b, ...
著者Shang, Y, Zhu, J, Zhang, M.
登録日2016-05-24
公開日2016-10-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献An Atypical MAGUK GK Target Recognition Mode Revealed by the Interaction between DLG and KIF13B
Structure, 24, 2016
4LS0
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BU of 4ls0 by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH01B0033
分子名称: 2-{(E)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Zhu, L, Li, H, Ren, X, Zhu, J.
登録日2013-07-21
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DHO1B0033
To be Published
3NJP
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BU of 3njp by Molmil
The Extracellular and Transmembrane Domain Interfaces in Epidermal Growth Factor Receptor Signaling
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor, Epidermal growth factor receptor, ...
著者Lu, C, Mi, L.-Z, Grey, M.J, Zhu, J, Graef, E, Yokoyama, S, Springer, T.A.
登録日2010-06-17
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.304 Å)
主引用文献Structural evidence for loose linkage between ligand binding and kinase activation in the epidermal growth factor receptor.
Mol.Cell.Biol., 30, 2010
6PPA
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BU of 6ppa by Molmil
Crystal structure of the unliganded bromodomain of human BRD7
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 7, PHOSPHATE ION
著者Chan, A, Karim, M.R, Zhu, J, Schonbrunn, E.
登録日2019-07-05
公開日2020-03-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains.
J.Med.Chem., 63, 2020
1P4A
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BU of 1p4a by Molmil
Crystal Structure of the PurR complexed with cPRPP
分子名称: 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE, Pur operon repressor
著者Bera, A.K, Zhu, J, Zalkin, H, Smith, J.L.
登録日2003-04-22
公開日2003-12-09
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Functional dissection of the Bacillus subtilis pur operator site.
J.Bacteriol., 185, 2003
5L6P
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EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 6)
分子名称: 1,4-DIETHYLENE DIOXIDE, Ephrin type-B receptor 3, ~{N}-(4-phenylazanylquinazolin-7-yl)ethanamide
著者Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C.
登録日2016-05-30
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3.
J.Am.Chem.Soc., 138, 2016
5L6O
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EphB3 kinase domain covalently bound to an irreversible inhibitor (compound 3)
分子名称: 1,4-DIETHYLENE DIOXIDE, 1-(4-phenylazanylquinazolin-7-yl)ethanone, Ephrin type-B receptor 3
著者Schimpl, M, Overman, R, Kung, A, Chen, Y.-C, Ni, F, Zhu, J, Turner, M, Molina, H, Zhang, C.
登録日2016-05-30
公開日2016-08-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Development of Specific, Irreversible Inhibitors for a Receptor Tyrosine Kinase EphB3.
J.Am.Chem.Soc., 138, 2016
1T48
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Allosteric Inhibition of Protein Tyrosine Phosphatase 1B
分子名称: 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE, Protein-tyrosine phosphatase, non-receptor type 1
著者Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Erlanson, D.A, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K.
登録日2004-04-28
公開日2004-07-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
1T4J
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Allosteric Inhibition of Protein Tyrosine Phosphatase 1B
分子名称: 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE, Protein-tyrosine phosphatase, non-receptor type 1
著者Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K.
登録日2004-04-29
公開日2004-07-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
1T49
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Allosteric Inhibition of Protein Tyrosine Phosphatase 1B
分子名称: 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID (4-SULFAMOYL-PHENYL)-AMIDE, MAGNESIUM ION, Protein-tyrosine phosphatase, ...
著者Wiesmann, C, Barr, K.J, Kung, J, Zhu, J, Shen, W, Fahr, B.J, Zhong, M, Taylor, L, Randal, M, McDowell, R.S, Hansen, S.K.
登録日2004-04-28
公開日2004-07-20
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Allosteric inhibition of protein tyrosine phosphatase 1B.
Nat.Struct.Mol.Biol., 11, 2004
6XK9
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BU of 6xk9 by Molmil
Cereblon in complex with DDB1, CC-90009, and GSPT1
分子名称: 2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ...
著者Clayton, T.L, Tran, E.T, Zhu, J, Pagarigan, B.E, Matyskiela, M.E, Chamberlain, P.P.
登録日2020-06-25
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.64 Å)
主引用文献CC-90009, a novel cereblon E3 ligase modulator, targets acute myeloid leukemia blasts and leukemia stem cells.
Blood, 137, 2021
5GNV
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BU of 5gnv by Molmil
Structure of PSD-95/MAP1A complex reveals unique target recognition mode of MAGUK GK domain
分子名称: Disks large homolog 4, Microtubule-associated protein 1A, SULFATE ION
著者Shang, Y, Xia, Y, Zhu, R, Zhu, J.
登録日2016-07-25
公開日2017-08-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.596 Å)
主引用文献Structure of the PSD-95/MAP1A complex reveals a unique target recognition mode of the MAGUK GK domain
Biochem. J., 474, 2017
7BYJ
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BU of 7byj by Molmil
Crystal structure of the FERM domain of FRMPD4
分子名称: FERM and PDZ domain-containing protein 4
著者Lin, L, Wang, M, Wang, C, Zhu, J.
登録日2020-04-23
公開日2020-12-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Structure of the FERM domain of a neural scaffold protein FRMPD4 implicated in X-linked intellectual disability.
Biochem.J., 477, 2020
8EQN
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BU of 8eqn by Molmil
BG505 UFO-E2p-L4P nanoparticle reconstructed by focused refinement with a mask around the nanoparticle core
分子名称: BG505 UFO-E2p-L4P
著者Antanasijevic, A, Zhang, Y.N, Zhu, J, Ward, A.B.
登録日2022-10-08
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Single-component multilayered self-assembling protein nanoparticles presenting glycan-trimmed uncleaved prefusion optimized envelope trimmers as HIV-1 vaccine candidates.
Nat Commun, 14, 2023
1V1F
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BU of 1v1f by Molmil
Structure of the Arabidopsis thaliana SOS3 complexed with Calcium(II) and Manganese(II) ions
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCINEURIN B-LIKE PROTEIN 4, CALCIUM ION, ...
著者Sanchez-Barrena, M.J, Martinez-Ripoll, M, Zhu, J.K, Albert, A.
登録日2004-04-15
公開日2005-01-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Structure of the Arabidopsis Thaliana SOS3: Molecular Mechanism of Sensing Calcium for Salt Stress Response
J.Mol.Biol., 345, 2005
1V1G
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Structure of the Arabidopsis thaliana SOS3 complexed with Calcium(II) ion
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCINEURIN B-LIKE PROTEIN 4, CALCIUM ION, ...
著者Sanchez-Barrena, M.J, Martinez-Ripoll, M, Zhu, J.K, Albert, A.
登録日2004-04-15
公開日2005-01-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The Structure of the Arabidopsis Thaliana SOS3: Molecular Mechanism of Sensing Calcium for Salt Stress Response
J.Mol.Biol., 345, 2005
4G5S
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BU of 4g5s by Molmil
Structure of LGN GL3/Galphai3 complex
分子名称: CITRIC ACID, G-protein-signaling modulator 2, GUANOSINE-5'-DIPHOSPHATE, ...
著者Jia, M, Li, J, Zhu, J, Wen, W, Zhang, M, Wang, W.
登録日2012-07-18
公開日2012-09-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.62 Å)
主引用文献Crystal Structures of the scaffolding protein LGN reveal the general mechanism by which GoLoco binding motifs inhibit the release of GDP from Galphai subunits in G-coupled heterotrimeric proteins
To be Published
4JTU
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BU of 4jtu by Molmil
Crystal structure of human dihydroorotate dehydrogenase (DHODH) with brequinar analogue
分子名称: 6-bromo-2-{4-[(2R)-butan-2-yl]phenyl}-3-methylquinoline-4-carboxylic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Zhu, L, Zhu, J, Ren, X, Li, H.
登録日2013-03-24
公開日2014-03-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 057
To be Published
5EGG
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BU of 5egg by Molmil
Crystal structure of human ubiquitin-conjugating enzyme UBCH5C
分子名称: Ubiquitin-conjugating enzyme E2 D3
著者Zhu, L, Li, H, Wu, F, Zhu, J.
登録日2015-10-27
公開日2016-11-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural analysis of recombinant human ubiquitin-conjugating enzyme UbcH5c
Acta Pharm Sin B, 7, 2017
3V8S
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Human RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK 1) IN COMPLEX WITH INDAZOLE DERIVATIVE (COMPOUND 18)
分子名称: 1-(1H-indazol-5-yl)-3-(2-phenylethyl)urea, Rho-associated protein kinase 1
著者Martin, M.P, Zhu, J.-Yi, Schonbrunn, E.
登録日2011-12-23
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.286 Å)
主引用文献Fragment-based and structure-guided discovery and optimization of rho kinase inhibitors.
J.Med.Chem., 55, 2012
3UP7
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Aurora A in complex with YL1-038-09
分子名称: 2-({2-[(4-carboxyphenyl)amino]pyrimidin-4-yl}amino)benzoic acid, Aurora kinase A
著者Martin, M.P, Zhu, J.-Y, Schonbrunn, E.
登録日2011-11-17
公開日2012-01-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Development of o-Chlorophenyl Substituted Pyrimidines as Exceptionally Potent Aurora Kinase Inhibitors.
J.Med.Chem., 55, 2012
5F61
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Crystal structure of the first bromodomain of human BRD4 in complex with MA4-022-1
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide
著者Ember, S.W, Zhu, J.-Y, Schonbrunn, E.
登録日2015-12-04
公開日2017-02-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics.
Mol. Cancer Ther., 16, 2017
5F63
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BU of 5f63 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SG3-179
分子名称: 1,2-ETHANEDIOL, 4-[[4-[[3-(~{tert}-butylsulfonylamino)-4-chloranyl-phenyl]amino]-5-methyl-pyrimidin-2-yl]amino]-2-fluoranyl-~{N}-(1-methylpiperidin-4-yl)benzamide, Bromodomain-containing protein 4
著者Ember, S.W, Zhu, J.-Y, Schonbrunn, E.
登録日2015-12-04
公開日2017-02-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics.
Mol. Cancer Ther., 16, 2017
5F62
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Crystal structure of the first bromodomain of human BRD4 in complex with MA4-022-2
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[2-chloranyl-5-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide
著者Ember, S.W, Zhu, J.-Y, Schonbrunn, E.
登録日2015-12-04
公開日2017-02-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Potent Dual BET Bromodomain-Kinase Inhibitors as Value-Added Multitargeted Chemical Probes and Cancer Therapeutics.
Mol. Cancer Ther., 16, 2017

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件を2024-06-12に公開中

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