6ITX
 
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6JDS
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6JDU
 | | Crystal structure of PRRSV nsp10 (helicase) | | Descriptor: | CALCIUM ION, PP1b, ZINC ION | | Authors: | Tang, C, Chen, Z. | | Deposit date: | 2019-02-02 | | Release date: | 2020-02-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Helicase of Type 2 Porcine Reproductive and Respiratory Syndrome Virus Strain HV Reveals a Unique Structure.
Viruses, 12, 2020
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6JDR
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8K2E
 | | Crystal structure of YTHDC1 and Y3 complex | | Descriptor: | 2-chloranyl-6-(4-fluoranylphenoxy)benzoic acid, SULFATE ION, YTH domain-containing protein 1 | | Authors: | Zhang, H.L, Yang, S.Y. | | Deposit date: | 2023-07-12 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | PocketFlow is a data-and-knowledge-driven structure-based molecular generative model
Nat. Mach. Intell., 6, 2024
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6LJ9
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6LJB
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6LPA
 | | The nsp1 protein of a new porcine coronavirus | | Descriptor: | sp1 protein | | Authors: | Shen, Z, Peng, G.Q. | | Deposit date: | 2020-01-09 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.105 Å) | | Cite: | Structural and Biological Basis of Alphacoronavirus nsp1 Associated with Host Proliferation and Immune Evasion.
Viruses, 12, 2020
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6LP9
 | | the protein of cat virus | | Descriptor: | nsp1 protein | | Authors: | Shen, Z, Peng, G.Q. | | Deposit date: | 2020-01-09 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Structural and Biological Basis of Alphacoronavirus nsp1 Associated with Host Proliferation and Immune Evasion.
Viruses, 12, 2020
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8XC4
 | | Nipah virus attachment glycoprotein head domain in complex with a broadly neutralizing antibody 1E5 | | Descriptor: | 1E5-VH, 1E5-VL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Fan, P.F, Yu, C.M, Chen, W. | | Deposit date: | 2023-12-08 | | Release date: | 2024-01-24 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (3.24 Å) | | Cite: | A potent Henipavirus cross-neutralizing antibody reveals a dynamic fusion-triggering pattern of the G-tetramer.
Nat Commun, 15, 2024
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3Q32
 | | Structure of Janus kinase 2 with a pyrrolotriazine inhibitor | | Descriptor: | 2-(2,6-difluoro-4-methoxyphenyl)-1-(4-{4-[(3-methyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}piperazin-1-yl)ethanone, Tyrosine-protein kinase JAK2 | | Authors: | Sack, J.S. | | Deposit date: | 2010-12-21 | | Release date: | 2011-02-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Pyrrolo[1,2-f]triazines as JAK2 inhibitors: Achieving potency and selectivity for JAK2 over JAK3.
Bioorg.Med.Chem.Lett., 21, 2011
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4NA9
 | | Factor VIIa in complex with the inhibitor 3'-amino-5'-[(2s,4r)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid | | Descriptor: | 3'-amino-5'-[(2S,4R)-6-carbamimidoyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]biphenyl-2-carboxylic acid, CALCIUM ION, Coagulation factor VII heavy chain, ... | | Authors: | Wei, A. | | Deposit date: | 2013-10-21 | | Release date: | 2014-02-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors.
J.Med.Chem., 57, 2014
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4NA7
 | | Factor XIA in complex with the inhibitor 3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid | | Descriptor: | 3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid, Coagulation factor XI, SULFATE ION | | Authors: | Wei, A. | | Deposit date: | 2013-10-21 | | Release date: | 2014-02-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors.
J.Med.Chem., 57, 2014
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4PIV
 | | Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and GSK2194069 | | Descriptor: | 4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3S)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, CACODYLATE ION, Fatty acid synthase, ... | | Authors: | Williams, S.P, Wang, L, Brown, K.K, Parrish, C.A, Hardwicke, M.A. | | Deposit date: | 2014-05-09 | | Release date: | 2014-07-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | A human fatty acid synthase inhibitor binds beta-ketoacyl reductase in the keto-substrate site.
Nat.Chem.Biol., 10, 2014
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4NA8
 | | Factor XIa in complex with the inhibitor 5-aminocarbonyl-2-[3-[(2s,4r)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1h-quinolin-2-yl]phenyl]benzoic acid | | Descriptor: | 1,2-ETHANEDIOL, 5-aminocarbonyl-2-[3-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-2,3-dihydro-1H-quinolin-2-yl]phenyl]benzoic acid, Coagulation factor XI, ... | | Authors: | Wei, A. | | Deposit date: | 2013-10-21 | | Release date: | 2014-02-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tetrahydroquinoline Derivatives as Potent and Selective Factor XIa Inhibitors.
J.Med.Chem., 57, 2014
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2MJV
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5YP6
 | | RORgamma (263-509) complexed with SRC2 and Compound 6 | | Descriptor: | N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide, Nuclear receptor ROR-gamma, SRC2 | | Authors: | Gao, M, Cai, W. | | Deposit date: | 2017-11-01 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
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5YJ3
 | | Crystal structure of TZAP and telomeric DNA complex | | Descriptor: | DNA (5'-D(*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*CP*CP*CP*TP*AP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*G)-3'), Telomere zinc finger-associated protein, ... | | Authors: | Li, F, Zhao, Y. | | Deposit date: | 2017-10-07 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.845 Å) | | Cite: | The 11th C2H2 zinc finger and an adjacent C-terminal arm are responsible for TZAP recognition of telomeric DNA.
Cell Res., 28, 2018
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5YP5
 | | Crystal structure of RORgamma complexed with SRC2 and compound 5d | | Descriptor: | 2-[4-(ethylsulfonyl)phenyl]-N-{5-[2-(2-methylpropyl)benzoyl]-4-phenyl-1,3-thiazol-2-yl}acetamide, Nuclear receptor ROR-gamma, SRC2-2 peptide | | Authors: | Gao, M, Cai, W, Chunwa, C. | | Deposit date: | 2017-11-01 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | From ROR gamma t Agonist to Two Types of ROR gamma t Inverse Agonists
ACS Med Chem Lett, 9, 2018
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8U77
 | | Crystal structure of Taf14 in complex with Yng1 | | Descriptor: | Protein YNG1, Transcription initiation factor TFIID subunit 14 | | Authors: | Nguyen, M.C, Wei, P.C, Zhang, G.Y, Kutateladze, T.G. | | Deposit date: | 2023-09-14 | | Release date: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Molecular insight into interactions between the Taf14, Yng1 and Sas3 subunits of the NuA3 complex.
Nat Commun, 15, 2024
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8XB0
 | | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 292 | | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | | Authors: | Tong, S.L, Zhang, G.P. | | Deposit date: | 2023-12-05 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy.
J.Med.Chem., 67, 2024
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8XAR
 | | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 54 | | Descriptor: | 1,2-ETHANEDIOL, 7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | | Authors: | Zheng, J.Y, Zhang, G.P, Li, J.J, Tong, S.L. | | Deposit date: | 2023-12-05 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy.
J.Med.Chem., 67, 2024
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7WWM
 | | S protein of Delta variant in complex with ZWC6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | | Deposit date: | 2022-02-13 | | Release date: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
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7WWL
 | | S protein of Delta variant in complex with ZWD12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Guo, Y.Y, Zhang, Y.Y, Zhou, Q. | | Deposit date: | 2022-02-13 | | Release date: | 2022-06-01 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Broadly neutralizing antibodies against Omicron-included SARS-CoV-2 variants induced by vaccination.
Signal Transduct Target Ther, 7, 2022
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6TCY
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