3HVN
 
 | | Crystal structure of cytotoxin protein suilysin from Streptococcus suis | | Descriptor: | 1,1,1,3,3,3-hexafluoropropan-2-ol, HEPTANE-1,2,3-TRIOL, Hemolysin | | Authors: | Xu, L, Huang, B, Du, H, Zhang, C.X, Xu, J, Li, X, Rao, Z. | | Deposit date: | 2009-06-16 | | Release date: | 2010-03-02 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.852 Å) | | Cite: | Crystal structure of cytotoxin protein suilysin from Streptococcus suis.
Protein Cell, 1, 2010
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5IM8
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4BBE
 | | Aminoalkylpyrimidine Inhibitor Complexes with JAK2 | | Descriptor: | N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]ethanamide, TYROSINE-PROTEIN KINASE JAK2 | | Authors: | Li, J. | | Deposit date: | 2012-09-21 | | Release date: | 2012-11-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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8HF2
 | | Cryo-EM structure of WeiTsing | | Descriptor: | PRA1 family protein | | Authors: | Qin, L, Tang, L.H, Chen, Y.H. | | Deposit date: | 2022-11-09 | | Release date: | 2023-06-21 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.14 Å) | | Cite: | WeiTsing, a pericycle-expressed ion channel, safeguards the stele to confer clubroot resistance.
Cell, 186, 2023
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3GGQ
 | | Dimerization of Hepatitis E Virus Capsid Protein E2s Domain is Essential for Virus-Host Interaction | | Descriptor: | BROMIDE ION, Capsid protein | | Authors: | Li, S.W, Tang, X.H, Seetharaman, J, Yang, C.Y, Gu, Y, Zhang, J, Du, H.L, Shih, J.W.K, Hew, C.L, Sivaraman, J, Xia, N.S. | | Deposit date: | 2009-03-02 | | Release date: | 2009-08-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dimerization of hepatitis E virus capsid protein E2s domain is essential for virus-host interaction
Plos Pathog., 5, 2009
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8W5C
 | | Crystal structure of FGFR4 kinase domain in complex with 8K | | Descriptor: | Fibroblast growth factor receptor 4, N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-5-methanoyl-6-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-yl-pyrrolo[3,2-b]pyridine-3-carboxamide | | Authors: | Zhang, Z.M, Huang, H.S. | | Deposit date: | 2023-08-26 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
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5T04
 | | STRUCTURE OF CONSTITUTIVELY ACTIVE NEUROTENSIN RECEPTOR | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, ARG-ARG-PRO-TYR-ILE-LEU, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Krumm, B, Botos, I, Grisshammer, R. | | Deposit date: | 2016-08-15 | | Release date: | 2016-12-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structure and dynamics of a constitutively active neurotensin receptor.
Sci Rep, 6, 2016
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8EQ9
 | | Co-crystal structure of PERK with compound 11 | | Descriptor: | (2R)-N-[(4M)-4-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-(3-fluorophenyl)-2-hydroxyacetamide, Eukaryotic translation initiation factor 2-alpha kinase 3 | | Authors: | Zhu, G, Surman, M.D, Mulvihill, M.J. | | Deposit date: | 2022-10-07 | | Release date: | 2022-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Optimization of a Novel Mandelamide-Derived Pyrrolopyrimidine Series of PERK Inhibitors.
Pharmaceutics, 14, 2022
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8EQD
 | | Co-crystal structure of PERK with compound 24 | | Descriptor: | (2R)-N-[(4M)-4-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-(3-fluorophenyl)-2-hydroxyacetamide, Eukaryotic translation initiation factor 2-alpha kinase 3 | | Authors: | Zhu, G, Surman, M.D, Mulvihill, M.J. | | Deposit date: | 2022-10-07 | | Release date: | 2022-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Optimization of a Novel Mandelamide-Derived Pyrrolopyrimidine Series of PERK Inhibitors.
Pharmaceutics, 14, 2022
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8EQE
 | | Co-crystal structure of PERK with compound 26 | | Descriptor: | (2R)-N-[(4M)-4-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide, Eukaryotic translation initiation factor 2-alpha kinase 3 | | Authors: | Zhu, G, Surman, M.D, Mulvihill, M.J. | | Deposit date: | 2022-10-07 | | Release date: | 2022-11-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.559 Å) | | Cite: | Optimization of a Novel Mandelamide-Derived Pyrrolopyrimidine Series of PERK Inhibitors.
Pharmaceutics, 14, 2022
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8KH6
 | | Crystal structure of FGFR4 kinase domain with 8r | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[5-bromanyl-6-(hydroxymethyl)-3-methoxy-pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ... | | Authors: | Lin, Q.M, Chen, X.J, Chen, Y.H. | | Deposit date: | 2023-08-21 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
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8KH9
 | | Crystal structure of FGFR4(V550M) kinase domain with 8z | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ... | | Authors: | Lin, Q.M, Chen, X.J, Chen, Y.H. | | Deposit date: | 2023-08-21 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
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8KH7
 | | Crystal structure of FGFR4 kinase domain with 8zc | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ... | | Authors: | Lin, Q.M, Chen, X.J, Chen, Y.H. | | Deposit date: | 2023-08-21 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
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8KH8
 | | Crystal structure of FGFR4(V550L) kinase domain with 8z | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ... | | Authors: | Lin, Q.M, Chen, X.J, Chen, Y.H. | | Deposit date: | 2023-08-21 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024
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6AY9
 | | Structure of the native full-length HIV-1 capsid protein in complex with CPSF6 peptide | | Descriptor: | CHLORIDE ION, Cleavage and polyadenylation specificity factor subunit 6, HIV-1 capsid protein, ... | | Authors: | Gres, A.T, Kirby, K.A, Sarafianos, S.G. | | Deposit date: | 2017-09-07 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
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6B2K
 | | E45A/R132T mutant of HIV-1 capsid protein | | Descriptor: | CHLORIDE ION, HIV-1 capsid protein, IODIDE ION | | Authors: | Gres, A.T, Kirby, K.A, Sarafianos, S.G. | | Deposit date: | 2017-09-20 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
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6AYA
 | | Structure of the native full-length HIV-1 capsid protein in complex with Nup153 peptide | | Descriptor: | CHLORIDE ION, HIV-1 capsid protein, IODIDE ION, ... | | Authors: | Gres, A.T, Kirby, K.A, Sarafianos, S.G. | | Deposit date: | 2017-09-07 | | Release date: | 2018-09-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
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6B2J
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6B2I
 | | E45A mutant of the HIV-1 capsid protein | | Descriptor: | CHLORIDE ION, HIV-1 capsid protein, IODIDE ION | | Authors: | Gres, A.T, Kirby, K.A, Sarafianos, S.G. | | Deposit date: | 2017-09-20 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
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6B2G
 | | P38A mutant of HIV-1 capsid protein | | Descriptor: | CHLORIDE ION, HIV-1 capsid protein, IODIDE ION | | Authors: | Gres, A.T, Kirby, K.A, Sarafianos, S.G. | | Deposit date: | 2017-09-20 | | Release date: | 2018-09-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.407 Å) | | Cite: | Multidisciplinary studies with mutated HIV-1 capsid proteins reveal structural mechanisms of lattice stabilization.
Nat Commun, 14, 2023
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6B2H
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8T5C
 | | Lassa GPC Trimer in complex with Fab 8.11G and nanobody D5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 8.11G Heavy Chain, 8.11G Light Chain, ... | | Authors: | Gorman, J, Kwong, P.D. | | Deposit date: | 2023-06-13 | | Release date: | 2024-01-03 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (4.7 Å) | | Cite: | Cleavage-intermediate Lassa virus trimer elicits neutralizing responses, identifies neutralizing nanobodies, and reveals an apex-situated site-of-vulnerability.
Nat Commun, 15, 2024
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4ANM
 | | Complex of CK2 with a CDC7 inhibitor | | Descriptor: | 8-BROMANYL-2-[[(3S)-3-OXIDANYLPYRROLIDIN-1-YL]METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, CASEIN KINASE II SUBUNIT ALPHA | | Authors: | Stout, T.J. | | Deposit date: | 2012-03-20 | | Release date: | 2012-05-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Xl413, a Potent and Selective Cdc7 Inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
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4ALW
 | | Benzofuropyrimidinone Inhibitors of Pim-1 | | Descriptor: | 8-BROMANYL-2-[(4-METHYLPIPERAZIN-1-YL)METHYL]-3H-[1]BENZOFURO[3,2-D]PYRIMIDIN-4-ONE, IMIDAZOLE, PIM-1 KINASE | | Authors: | Stout, T.J, Adams, L. | | Deposit date: | 2012-03-05 | | Release date: | 2013-01-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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4ALU
 | | Benzofuropyrimidinone Inhibitors of Pim-1 | | Descriptor: | 8-bromo-2-(2-chlorophenyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one, IMIDAZOLE, SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Stout, T.J, Adams, L. | | Deposit date: | 2012-03-05 | | Release date: | 2013-01-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Design, Synthesis, and Biological Evaluation of Pim Kinase Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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