7XHQ
 
 | | Small-molecule Allosteric Regulation Mechanism of SHP2 | | Descriptor: | 2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Luo, Y, Zhu, J, Yu, K, Liu, B. | | Deposit date: | 2022-04-09 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of the SHP2 allosteric inhibitor 2-((3R,4R)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-(2,3-dichlorophenyl)-3-methylpyrrolo[2,1-f][1,2,4] triazin-4(3H)-one.
J Enzyme Inhib Med Chem, 38, 2023
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3JBH
 | | TWO HEAVY MEROMYOSIN INTERACTING-HEADS MOTIFS FLEXIBLE DOCKED INTO TARANTULA THICK FILAMENT 3D-MAP ALLOWS IN DEPTH STUDY OF INTRA- AND INTERMOLECULAR INTERACTIONS | | Descriptor: | MYOSIN 2 ESSENTIAL LIGHT CHAIN STRIATED MUSCLE, MYOSIN 2 HEAVY CHAIN STRIATED MUSCLE, MYOSIN 2 REGULATORY LIGHT CHAIN STRIATED MUSCLE | | Authors: | Alamo, L, Qi, D, Wriggers, W, Pinto, A, Zhu, J, Bilbao, A, Gillilan, R.E, Hu, S, Padron, R. | | Deposit date: | 2015-09-01 | | Release date: | 2016-03-09 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (20 Å) | | Cite: | Conserved Intramolecular Interactions Maintain Myosin Interacting-Heads Motifs Explaining Tarantula Muscle Super-Relaxed State Structural Basis.
J. Mol. Biol., 428, 2016
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6K2I
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6L1W
 | | Zinc-finger Antiviral Protein (ZAP) bound to RNA | | Descriptor: | RNA (5'-R(*CP*GP*UP*CP*GP*U)-3'), ZINC ION, Zinc finger CCCH-type antiviral protein 1 | | Authors: | Luo, X, Wang, X, Gao, Y, Zhu, J, Liu, S, Gao, G, Gao, P. | | Deposit date: | 2019-09-30 | | Release date: | 2020-01-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | Molecular Mechanism of RNA Recognition by Zinc-Finger Antiviral Protein.
Cell Rep, 30, 2020
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6KZ1
 | | Complex structure of Whirlin and Myosin XVa | | Descriptor: | Myosin XVa, Whirlin | | Authors: | Lin, L, Wang, M, Shi, Y, Zhu, J, Zhang, R. | | Deposit date: | 2019-09-22 | | Release date: | 2020-09-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.694 Å) | | Cite: | Phase separation-mediated condensation of Whirlin-Myo15-Eps8 stereocilia tip complex.
Cell Rep, 34, 2021
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3MME
 | | Structure and functional dissection of PG16, an antibody with broad and potent neutralization of HIV-1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PG16 HEAVY CHAIN FAB, ... | | Authors: | Pancera, M, McLellan, J, Zhou, T, Zhu, J, Kwong, P. | | Deposit date: | 2010-04-19 | | Release date: | 2010-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.97 Å) | | Cite: | Crystal structure of PG16 and chimeric dissection with somatically related PG9: structure-function analysis of two quaternary-specific antibodies that effectively neutralize HIV-1.
J.Virol., 84, 2010
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3DBC
 | | Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 257 | | Descriptor: | 3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide, Polo-like kinase 1 | | Authors: | Elling, R.A, Zhu, J, Barr, K.J, Romanowski, M.J. | | Deposit date: | 2008-05-31 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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3NJP
 | | The Extracellular and Transmembrane Domain Interfaces in Epidermal Growth Factor Receptor Signaling | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor, Epidermal growth factor receptor, ... | | Authors: | Lu, C, Mi, L.-Z, Grey, M.J, Zhu, J, Graef, E, Yokoyama, S, Springer, T.A. | | Deposit date: | 2010-06-17 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.304 Å) | | Cite: | Structural evidence for loose linkage between ligand binding and kinase activation in the epidermal growth factor receptor.
Mol.Cell.Biol., 30, 2010
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3DBF
 | | Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 562 | | Descriptor: | 4-({1-[3-(3-amino-3-oxopropyl)-5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-c]pyridin-6-yl}amino)-3-methoxy-N-(1-methylpipe ridin-4-yl)benzamide, Polo-like kinase | | Authors: | Elling, R.A, Zhu, J, Barr, K.J, Romanowski, M.J. | | Deposit date: | 2008-05-31 | | Release date: | 2008-10-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
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3K72
 | | Structure of integrin alphaX beta2 | | 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: | Xie, C, Zhu, J, Chen, X, Mi, L, Nishida, N, Springer, T.A. | | Deposit date: | 2009-10-11 | | Release date: | 2010-01-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Structure of an integrin with an alphaI domain, complement receptor type 4.
Embo J., 29, 2010
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3K6S
 | | Structure of integrin alphaXbeta2 ectodomain | | 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: | Xie, C, Zhu, J, Chen, X, Mi, L, Nishida, N, Springer, T.A. | | Deposit date: | 2009-10-09 | | Release date: | 2010-01-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure of an integrin with an alphaI domain, complement receptor type 4.
Embo J., 29, 2010
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3K71
 | | Structure of integrin alphaX beta2 ectodomain | | 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: | Xie, C, Zhu, J, Chen, X, Mi, L, Nishida, N, Springer, T.A. | | Deposit date: | 2009-10-11 | | Release date: | 2010-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.95 Å) | | Cite: | Structure of an integrin with an alphaI domain, complement receptor type 4.
Embo J., 29, 2010
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3H3B
 | | Crystal structure of the single-chain Fv (scFv) fragment of an anti-ErbB2 antibody chA21 in complex with residues 1-192 of ErbB2 extracellular domain | | Descriptor: | Receptor tyrosine-protein kinase erbB-2, anti-ErbB2 antibody chA21 | | Authors: | Zhou, H, Liu, Y, Niu, L, Zhu, J, Teng, M. | | Deposit date: | 2009-04-16 | | Release date: | 2010-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural Insights into the Down-regulation of Overexpressed p185her2/neu Protein of Transformed Cells by the Antibody chA21.
J.Biol.Chem., 286, 2011
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1T4J
 | | Allosteric Inhibition of Protein Tyrosine Phosphatase 1B | | Descriptor: | 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 | | Authors: | 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. | | Deposit date: | 2004-04-29 | | Release date: | 2004-07-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
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3K1Q
 | | Backbone model of an aquareovirus virion by cryo-electron microscopy and bioinformatics | | Descriptor: | Core protein VP6, Outer capsid VP5, Outer capsid VP7, ... | | Authors: | Cheng, L.P, Zhu, J, Hiu, W.H, Zhang, X.K, Honig, B, Fang, Q, Zhou, Z.H. | | Deposit date: | 2009-09-28 | | Release date: | 2010-03-23 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Backbone Model of an Aquareovirus Virion by Cryo-Electron Microscopy and Bioinformatics
J.Mol.Biol., 397, 2010
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1YCL
 | | Crystal Structure of B. subtilis LuxS in Complex with a Catalytic 2-Ketone Intermediate | | Descriptor: | (S)-2-AMINO-4-[(2S,3R)-2,3,5-TRIHYDROXY-4-OXO-PENTYL]MERCAPTO-BUTYRIC ACID, COBALT (II) ION, S-ribosylhomocysteinase, ... | | Authors: | Rajan, R, Zhu, J, Hu, X, Pei, D, Bell, C.E. | | Deposit date: | 2004-12-22 | | Release date: | 2005-03-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of S-Ribosylhomocysteinase (LuxS) in Complex with a Catalytic 2-Ketone Intermediate.
Biochemistry, 44, 2005
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1T48
 | | Allosteric Inhibition of Protein Tyrosine Phosphatase 1B | | Descriptor: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE, Protein-tyrosine phosphatase, non-receptor type 1 | | Authors: | 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. | | Deposit date: | 2004-04-28 | | Release date: | 2004-07-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Allosteric inhibition of protein tyrosine phosphatase 1B
Nat.Struct.Mol.Biol., 11, 2004
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1T49
 | | Allosteric Inhibition of Protein Tyrosine Phosphatase 1B | | Descriptor: | 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID (4-SULFAMOYL-PHENYL)-AMIDE, MAGNESIUM ION, Protein-tyrosine phosphatase, ... | | Authors: | 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. | | Deposit date: | 2004-04-28 | | Release date: | 2004-07-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Allosteric inhibition of protein tyrosine phosphatase 1B.
Nat.Struct.Mol.Biol., 11, 2004
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4Z7O
 | | Integrin alphaIIbbeta3 in complex with AGDV peptide | | 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: | Lin, F.Y, Zhu, J, Springer, T.A. | | Deposit date: | 2015-04-07 | | Release date: | 2016-01-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece.
J.Biol.Chem., 291, 2016
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4Z7N
 | | Integrin alphaIIbbeta3 in complex with AGDV peptide | | 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: | Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2015-04-07 | | Release date: | 2015-12-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.599 Å) | | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece.
J.Biol.Chem., 291, 2016
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4Z7Q
 | | Integrin alphaIIbbeta3 in complex with AGDV-NH2 peptide | | 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: | Lin, F.-Y, Zhu, J, Springer, T.A. | | Deposit date: | 2015-04-07 | | Release date: | 2015-12-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece.
J.Biol.Chem., 291, 2016
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3DB6
 | | Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 902 | | Descriptor: | 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea, Polo-like kinase 1 | | Authors: | Elling, R.A, Fucini, R.V, Zhu, J, Barr, K.J, Romanowski, M.J. | | Deposit date: | 2008-05-30 | | Release date: | 2008-08-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure of the Brachydanio rerio Polo-like kinase 1 (Plk1) catalytic domain in complex with an extended inhibitor targeting the adaptive pocket of the enzyme.
Acta Crystallogr.,Sect.F, 64, 2008
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7BYJ
 | | Crystal structure of the FERM domain of FRMPD4 | | Descriptor: | FERM and PDZ domain-containing protein 4 | | Authors: | Lin, L, Wang, M, Wang, C, Zhu, J. | | Deposit date: | 2020-04-23 | | Release date: | 2020-12-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structure of the FERM domain of a neural scaffold protein FRMPD4 implicated in X-linked intellectual disability.
Biochem.J., 477, 2020
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1P4A
 | | Crystal Structure of the PurR complexed with cPRPP | | Descriptor: | 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE, Pur operon repressor | | Authors: | Bera, A.K, Zhu, J, Zalkin, H, Smith, J.L. | | Deposit date: | 2003-04-22 | | Release date: | 2003-12-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Functional dissection of the Bacillus subtilis pur operator site.
J.Bacteriol., 185, 2003
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4RR4
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A367 | | Descriptor: | 2-chloro-N-[3-(4-{[(2Z)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enoyl]amino}phenoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Zhu, L, Ren, X, Zhu, J, Li, H. | | Deposit date: | 2014-11-06 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A367
TO BE PUBLISHED
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