8KG5
 
 | | Prefusion RSV F Bound to Lonafarnib and D25 Fab | | Descriptor: | 4-{2-[4-(3,10-DIBROMO-8-CHLORO-6,11-DIHYDRO-5H-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YL)PIPERIDIN-1-YL]-2-OXOETHYL}PIPERIDINE-1-CARBOXAMIDE, D25 heavy chain, D25 light chain, ... | | Authors: | Yang, Q, Xue, B, Liu, F, Peng, W, Chen, X. | | Deposit date: | 2023-08-17 | | Release date: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.17 Å) | | Cite: | Farnesyltransferase inhibitor lonafarnib suppresses respiratory syncytial virus infection by blocking conformational change of fusion glycoprotein.
Signal Transduct Target Ther, 9, 2024
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6U4Y
 | | Crystal Structure of an EZH2-EED Complex in an Oligomeric State | | Descriptor: | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED | | Authors: | Jiao, L, Liu, X. | | Deposit date: | 2019-08-26 | | Release date: | 2020-07-08 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | A partially disordered region connects gene repression and activation functions of EZH2.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6WU8
 | | Structure of human SHP2 in complex with inhibitor IACS-13909 | | Descriptor: | 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Leonard, P.G, Joseph, S, Rodenberger, A. | | Deposit date: | 2020-05-04 | | Release date: | 2021-03-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib.
Cancer Res., 80, 2020
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6MT0
 | | Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolodihydropyrrolone inhibitor | | Descriptor: | 3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1 | | Authors: | Mohr, C. | | Deposit date: | 2018-10-18 | | Release date: | 2019-01-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of ( R)-8-(6-Methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4- b]pyrrol-2-yl)-3-(1-methylcyclopropyl)-2-((1-methylcyclopropyl)amino)quinazolin-4(3 H)-one, a Potent and Selective Pim-1/2 Kinase Inhibitor for Hematological Malignancies.
J. Med. Chem., 62, 2019
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7OQ9
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7OQA
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7OPW
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7OQ7
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7OQW
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7OQS
 | | Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ177 | | Descriptor: | 14-3-3 protein sigma, 2-(1,3-benzodioxol-5-yl)-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]ethanamide, Amot-p130 phosphopeptide (pS175), ... | | Authors: | Centorrino, F, Ottmann, C. | | Deposit date: | 2021-06-04 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove
To Be Published
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7OQU
 | | Ternary complex of 14-3-3 sigma, Amot-p130 phosphopeptide, and WQ180 | | Descriptor: | (2~{S},3~{S})-~{N}-[(5-carbamimidoyl-3-phenyl-thiophen-2-yl)methyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide, 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), ... | | Authors: | Centorrino, F, Ottmann, C. | | Deposit date: | 2021-06-04 | | Release date: | 2022-06-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A crystallography-based study of fragment extensions
into the 14-3-3 binding groove
To Be Published
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7OQJ
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7OQ8
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7OQG
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3NSN
 | | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with TMG-chitotriomycin | | Descriptor: | 2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, N-acetylglucosaminidase | | Authors: | Zhang, H, Liu, T, Liu, F, Yang, Q, Shen, X. | | Deposit date: | 2010-07-02 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Determinants of an Insect {beta}-N-Acetyl-D-hexosaminidase Specialized as a Chitinolytic Enzyme
J.Biol.Chem., 286, 2011
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3NSM
 | | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 from Ostrinia furnacalis | | Descriptor: | N-acetylglucosaminidase | | Authors: | Zhang, H, Liu, T, Liu, F, Yang, Q, Shen, X. | | Deposit date: | 2010-07-02 | | Release date: | 2010-11-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Determinants of an Insect {beta}-N-Acetyl-D-hexosaminidase Specialized as a Chitinolytic Enzyme
J.Biol.Chem., 286, 2011
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5EOL
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7PFP
 | | Full-length cryo-EM structure of the native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Jovine, L, Xu, C, Stsiapanava, A, Carroni, M, Tunyasuvunakool, K, Jumper, J, Wu, B. | | Deposit date: | 2021-08-11 | | Release date: | 2022-03-16 | | Last modified: | 2022-03-30 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
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6TQL
 | | Cryo-EM of elastase-treated human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L. | | Deposit date: | 2019-12-16 | | Release date: | 2020-11-04 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.96 Å) | | Cite: | Cryo-EM structure of native human uromodulin, a zona pellucida module polymer.
Embo J., 39, 2020
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6TQK
 | | Cryo-EM of native human uromodulin (UMOD)/Tamm-Horsfall protein (THP) filament. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Uromodulin, ... | | Authors: | Stsiapanava, A, Xu, C, Carroni, M, Wu, B, Jovine, L. | | Deposit date: | 2019-12-16 | | Release date: | 2020-11-04 | | Last modified: | 2021-03-03 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Cryo-EM structure of native human uromodulin, a zona pellucida module polymer.
Embo J., 39, 2020
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7JM5
 | | Crystal structure of KDM4B in complex with QC6352 | | Descriptor: | 3-[({(1R)-6-[methyl(phenyl)amino]-1,2,3,4-tetrahydronaphthalen-1-yl}methyl)amino]pyridine-4-carboxylic acid, Lysine-specific demethylase 4B, NICKEL (II) ION, ... | | Authors: | White, S.W, Yun, M. | | Deposit date: | 2020-07-31 | | Release date: | 2022-02-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Targeting KDM4 for treating PAX3-FOXO1-driven alveolar rhabdomyosarcoma.
Sci Transl Med, 14, 2022
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1I51
 | | CRYSTAL STRUCTURE OF CASPASE-7 COMPLEXED WITH XIAP | | Descriptor: | CASPASE-7 SUBUNIT P11, CASPASE-7 SUBUNIT P20, X-LINKED INHIBITOR OF APOPTOSIS PROTEIN | | Authors: | Chai, J, Shi, Y. | | Deposit date: | 2001-02-23 | | Release date: | 2002-02-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural basis of caspase-7 inhibition by XIAP.
Cell(Cambridge,Mass.), 104, 2001
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4XT9
 | | RORgamma (263-509) complexed with GSK2435341A and SRC2 | | Descriptor: | LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, N-[4-(2,5-dichlorophenyl)-5-phenyl-1,3-thiazol-2-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, ... | | Authors: | Wang, Y, Ma, Y. | | Deposit date: | 2015-01-23 | | Release date: | 2015-08-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of N-(4-aryl-5-aryloxy-thiazol-2-yl)-amides as potent ROR gamma t inverse agonists
Bioorg.Med.Chem., 23, 2015
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4RZE
 | | Crystal Structure Analysis of the NUR77 Ligand Binding Domain, L437W,D594E mutant | | Descriptor: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | Authors: | Fengwei, L, Xuyang, T, Anzhong, L, Li, L, Yuan, L, Hangzi, C, Qiao, W, Tianwei, L. | | Deposit date: | 2014-12-21 | | Release date: | 2015-03-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
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5K0M
 | | Targeting the PRC2 complex through a novel protein-protein interaction inhibitor of EED | | Descriptor: | (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-{4-[4-(methylsulfonyl)piperazin-1-yl]phenyl}pyrrolidin-3-amine, Polycomb protein EED | | Authors: | Jakob, C.G, Bigelow, L.J, Zhu, H, Sun, C. | | Deposit date: | 2016-05-17 | | Release date: | 2017-01-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | The EED protein-protein interaction inhibitor A-395 inactivates the PRC2 complex.
Nat. Chem. Biol., 13, 2017
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