3RKC
 
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3BE2
 | | Crystal structure of the VEGFR2 kinase domain in complex with a benzamide inhibitor | | Descriptor: | N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE, Vascular endothelial growth factor receptor 2 | | Authors: | Whittington, D.A, Kim, J.L, Long, A.M, Gu, Y, Rose, P, Zhao, H. | | Deposit date: | 2007-11-16 | | Release date: | 2008-04-08 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Naphthamides as novel and potent vascular endothelial growth factor receptor tyrosine kinase inhibitors: design, synthesis, and evaluation.
J.Med.Chem., 51, 2008
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6A0Z
 | | Crystal structure of broadly neutralizing antibody 13D4 bound to H5N1 influenza hemagglutinin, HA head region | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 13D4, Fab Heavy Chain, ... | | Authors: | Li, S, Li, T. | | Deposit date: | 2018-06-06 | | Release date: | 2018-06-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.329 Å) | | Cite: | Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus.
J. Virol., 92, 2018
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5ZVV
 | | Structure of SeMet-phAimR | | Descriptor: | AimR transcriptional regulator, GLYCEROL | | Authors: | Cheng, W, Dou, C. | | Deposit date: | 2018-05-13 | | Release date: | 2018-09-05 | | Last modified: | 2019-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
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5ZW6
 | | Structure of spAimR | | Descriptor: | AimR transcriptional regulator, GLY-MET-PRO-ARG-GLY-ALA | | Authors: | Cheng, W, Dou, C. | | Deposit date: | 2018-05-14 | | Release date: | 2018-09-05 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
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6A0X
 | | Crystal structure of broadly neutralizing antibody 13D4 | | Descriptor: | Antibody 13D4, Fab Heavy Chain, Fab Light Chain | | Authors: | Li, S, Li, T. | | Deposit date: | 2018-06-06 | | Release date: | 2018-06-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for the Broad, Antibody-Mediated Neutralization of H5N1 Influenza Virus.
J. Virol., 92, 2018
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5ZW5
 | | Structure of SeMet-spAimR | | Descriptor: | AimR transcriptional regulator | | Authors: | Cheng, W, Dou, C. | | Deposit date: | 2018-05-14 | | Release date: | 2018-08-29 | | Last modified: | 2019-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
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5ZVW
 | | Structure of phAimR-Ligand | | Descriptor: | AimR transcriptional regulator, SER-ALA-ILE-ARG-GLY-ALA | | Authors: | Cheng, W, Dou, C. | | Deposit date: | 2018-05-13 | | Release date: | 2018-09-05 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.292 Å) | | Cite: | Structural and functional insights into the regulation of the lysis-lysogeny decision in viral communities.
Nat Microbiol, 3, 2018
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2OFV
 | | crystal structure of aminoquinazoline 1 bound to Lck | | Descriptor: | 3-(2-AMINOQUINAZOLIN-6-YL)-4-METHYL-N-[3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | | Authors: | Huang, X. | | Deposit date: | 2007-01-04 | | Release date: | 2007-02-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity
J.Med.Chem., 49, 2006
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2OG8
 | | crystal structure of aminoquinazoline 36 bound to Lck | | Descriptor: | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | | Authors: | Huang, X. | | Deposit date: | 2007-01-05 | | Release date: | 2007-02-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity
J.Med.Chem., 49, 2006
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2OO8
 | | Synthesis, Structural Analysis, and SAR Studies of Triazine Derivatives as Potent, Selective Tie-2 Inhibitors | | Descriptor: | Angiopoietin-1 receptor, N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE | | Authors: | Bellon, S.F, Kim, J. | | Deposit date: | 2007-01-25 | | Release date: | 2007-03-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Synthesis, structural analysis, and SAR studies of triazine derivatives as potent, selective Tie-2 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2OSC
 | | Synthesis, Structural Analysis, and SAR Studies of Triazine Derivatives as Potent, Selective Tie-2 Inhibitors | | Descriptor: | Angiopoietin-1 receptor, N-{4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]PHENYL}-3-(TRIFLUOROMETHYL)BENZAMIDE | | Authors: | Bellon, S.F, Kim, J. | | Deposit date: | 2007-02-05 | | Release date: | 2007-03-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Synthesis, structural analysis, and SAR studies of triazine derivatives as potent, selective Tie-2 inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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2P4I
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4I9I
 | | Crystal structure of tankyrase 1 with compound 4 | | Descriptor: | N-(2-methoxyphenyl)-4-{[3-(4-oxo-3,4-dihydroquinazolin-2-yl)propanoyl]amino}benzamide, Tankyrase-1, ZINC ION | | Authors: | Huang, X. | | Deposit date: | 2012-12-05 | | Release date: | 2013-02-06 | | Last modified: | 2013-05-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a class of novel tankyrase inhibitors that bind to both the nicotinamide pocket and the induced pocket.
J.Med.Chem., 56, 2013
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5XUO
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3TJC
 | | Co-crystal structure of jak2 with thienopyridine 8 | | Descriptor: | 4-amino-N-methyl-2-[4-(morpholin-4-yl)phenyl]thieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Huang, X. | | Deposit date: | 2011-08-24 | | Release date: | 2011-11-30 | | Last modified: | 2011-12-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
J.Med.Chem., 54, 2011
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3TJD
 | | co-crystal structure of Jak2 with thienopyridine 19 | | Descriptor: | 4-amino-2-[4-(tert-butylsulfamoyl)phenyl]-N-methylthieno[3,2-c]pyridine-7-carboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Huang, X. | | Deposit date: | 2011-08-24 | | Release date: | 2011-11-30 | | Last modified: | 2011-12-28 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of potent and highly selective thienopyridine janus kinase 2 inhibitors.
J.Med.Chem., 54, 2011
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7DQ4
 | | Cryo-EM structure of CAR triggered Coxsackievirus B1 A-particle | | Descriptor: | VP2, VP3, Virion protein 1 | | Authors: | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q. | | Deposit date: | 2020-12-22 | | Release date: | 2021-05-05 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
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7DPF
 | | Cryo-EM structure of Coxsackievirus B1 mature virion | | Descriptor: | Capsid protein VP4, PALMITIC ACID, VP2, ... | | Authors: | Zheng, Q, Li, S. | | Deposit date: | 2020-12-18 | | Release date: | 2021-05-05 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
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7DPZ
 | | Cryo-EM structure of Coxsackievirus B1 virion in complex with CAR | | Descriptor: | Capsid protein VP4, Coxsackievirus and adenovirus receptor, VP2, ... | | Authors: | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q. | | Deposit date: | 2020-12-22 | | Release date: | 2021-05-05 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
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7DPG
 | | Cryo-EM structure of Coxsackievirus B1 empty particle | | Descriptor: | VP2, VP3, Virion protein 1 | | Authors: | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q, Xia, N. | | Deposit date: | 2020-12-18 | | Release date: | 2021-05-05 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
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7DQ1
 | | Cryo-EM structure of Coxsackievirus B1 virion in complex with CAR at physiological temperature | | Descriptor: | Capsid protein VP4, Coxsackievirus and adenovirus receptor, VP2, ... | | Authors: | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q. | | Deposit date: | 2020-12-22 | | Release date: | 2021-05-05 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
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7DQ7
 | | Cryo-EM structure of Coxsackievirus B1 mature virion in complex with nAb 5F5 | | Descriptor: | 5F5 VH, 5F5 VL, Capsid protein VP4, ... | | Authors: | Li, S, Zhu, R, Xu, L, Cheng, T, Zheng, Q. | | Deposit date: | 2020-12-22 | | Release date: | 2021-05-05 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structures reveal the molecular basis of receptor-initiated coxsackievirus uncoating.
Cell Host Microbe, 29, 2021
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8HP6
 | | Crystal structure of (S)-2-haloacid dehalogenase D12A mutant | | Descriptor: | (S)-2-haloacid dehalogenase, SODIUM ION | | Authors: | Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J. | | Deposit date: | 2022-12-12 | | Release date: | 2023-06-21 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening
Catalysis Science And Technology, 2023
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8HP5
 | | Crystal structure of (S)-2-haloacid dehalogenase | | Descriptor: | (S)-2-haloacid dehalogenase, 1,2-ETHANEDIOL | | Authors: | Yang, Q, Wang, L, Xu, X, Xing, X, Zhou, J. | | Deposit date: | 2022-12-12 | | Release date: | 2023-06-21 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Enzymatic hydrolysis on L-azetidine-2-carboxylate ring opening
Catalysis Science And Technology, 2023
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