3GW5
 
 | | Crystal structure of human renin complexed with a novel inhibitor | | Descriptor: | (3R)-3-[(1S)-1-(3-chlorophenyl)-1-hydroxy-5-methoxypentyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, Z, McKeever, B.M. | | Deposit date: | 2009-03-31 | | Release date: | 2009-06-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and optimization of renin inhibitors: Orally bioavailable alkyl amines.
Bioorg.Med.Chem.Lett., 19, 2009
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2Z67
 | | Crystal structure of archaeal O-phosphoseryl-tRNA(Sec) selenium transferase (SepSecS) | | Descriptor: | O-phosphoseryl-tRNA(Sec) selenium transferase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Araiso, Y, Ishitani, R, Pailouer, S, Oshikane, H, Domae, N, Soll, D, Nureki, O. | | Deposit date: | 2007-07-23 | | Release date: | 2008-04-29 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into RNA-dependent eukaryal and archaeal selenocysteine formation.
Nucleic Acids Res., 36, 2008
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5GP7
 | | Structural basis for the binding between Tankyrase-1 and USP25 | | Descriptor: | GLYCEROL, Tankyrase-1, Ubiquitin carboxyl-terminal hydrolase 25 | | Authors: | Liu, J, Xu, D, Fu, T, Pan, L. | | Deposit date: | 2016-08-01 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.502 Å) | | Cite: | USP25 regulates Wnt signaling by controlling the stability of tankyrases
Genes Dev., 31, 2017
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3KM4
 | | Optimization of Orally Bioavailable Alkyl Amine Renin Inhibitors | | Descriptor: | (3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, Z, McKeever, B.M. | | Deposit date: | 2009-11-09 | | Release date: | 2010-01-12 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Optimization of orally bioavailable alkyl amine renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3Q4B
 | | Clinically Useful Alkyl Amine Renin Inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Renin, ... | | Authors: | Wu, Z, McKeever, B.M. | | Deposit date: | 2010-12-23 | | Release date: | 2011-11-30 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility.
ACS Med Chem Lett, 2, 2011
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3Q5H
 | | Clinically Useful Alkyl Amine Renin Inhibitors | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Renin, ... | | Authors: | Wu, Z, McKeever, B.M. | | Deposit date: | 2010-12-28 | | Release date: | 2011-11-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility.
ACS Med Chem Lett, 2, 2011
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5WE8
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5WDY
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2FZP
 | | Crystal structure of the USP8 interaction domain of human NRDP1 | | Descriptor: | ring finger protein 41 isoform 1 | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Butler-Cole, C, Finerty Jr, P.J, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-02-10 | | Release date: | 2006-03-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Amino-terminal Dimerization, NRDP1-Rhodanese Interaction, and Inhibited Catalytic Domain Conformation of the Ubiquitin-specific Protease 8 (USP8).
J.Biol.Chem., 281, 2006
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6N0Q
 | | BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. | | Descriptor: | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2018-11-07 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic.
J.Med.Chem., 63, 2020
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6NE2
 | | Designed repeat protein in complex with Fz7 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Miao, Y, Jude, K.M, Garcia, K.C. | | Deposit date: | 2018-12-15 | | Release date: | 2019-05-15 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.299 Å) | | Cite: | Receptor subtype discrimination using extensive shape complementary designed interfaces.
Nat.Struct.Mol.Biol., 26, 2019
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6NE1
 | | Designed repeat protein in complex with Fz4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4, Pfs, ... | | Authors: | Miao, Y, Jude, K.M, Garcia, K.C. | | Deposit date: | 2018-12-15 | | Release date: | 2019-05-15 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3.011 Å) | | Cite: | Receptor subtype discrimination using extensive shape complementary designed interfaces.
Nat.Struct.Mol.Biol., 26, 2019
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6NE4
 | | Designed repeat protein specifically in complex with Fz7CRD | | Descriptor: | 1,2-ETHANEDIOL, Designed repeat binding protein, Frizzled-7, ... | | Authors: | Miao, Y, Jude, K.M, Garcia, K.C. | | Deposit date: | 2018-12-16 | | Release date: | 2019-05-15 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.648 Å) | | Cite: | Receptor subtype discrimination using extensive shape complementary designed interfaces.
Nat.Struct.Mol.Biol., 26, 2019
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6NDZ
 | | Designed repeat protein in complex with Fz8 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ACETIC ACID, ... | | Authors: | Miao, Y, Jude, K.M, Garcia, K.C. | | Deposit date: | 2018-12-14 | | Release date: | 2019-05-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.264 Å) | | Cite: | Receptor subtype discrimination using extensive shape complementary designed interfaces.
Nat.Struct.Mol.Biol., 26, 2019
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6N0P
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8WTS
 | | SARS-CoV-2 3CLpro bound to covalent inhibitor | | Descriptor: | (2~{R})-2-[[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-(2-chloranyl-2-fluoranyl-ethanoyl)amino]-~{N}-(oxan-4-yl)-2-pyrimidin-5-yl-propanamide, 1,2-ETHANEDIOL, 3C-like proteinase, ... | | Authors: | Peng, J, Sun, D, Ding, X. | | Deposit date: | 2023-10-19 | | Release date: | 2025-04-23 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | A novel, covalent broad-spectrum inhibitor targeting human coronavirus M pro.
Nat Commun, 16, 2025
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5VAL
 | | BRAF in Complex with N-(3-(tert-butyl)phenyl)-4-methyl-3-(6-morpholinopyrimidin-4-yl)benzamide | | Descriptor: | N-(3-tert-butylphenyl)-4-methyl-3-[6-(morpholin-4-yl)pyrimidin-4-yl]benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2017-03-27 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
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5VAM
 | | BRAF in Complex with RAF709 | | Descriptor: | N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Mamo, M, Appleton, B.A. | | Deposit date: | 2017-03-27 | | Release date: | 2017-06-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers.
J. Med. Chem., 60, 2017
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5WQ4
 | | Crystal structure of OPTN and linear diubiquitin complex | | Descriptor: | Optineurin, ubiquitin | | Authors: | Li, F, Pan, L. | | Deposit date: | 2016-11-23 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural insights into the ubiquitin recognition by OPTN (optineurin) and its regulation by TBK1-mediated phosphorylation.
Autophagy, 14, 2018
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3OAW
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4ITI
 | | Crystal structure of RIP1 kinase in complex with necrostatin-3 analog | | Descriptor: | 1-{(3S,3aS)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]-8-methoxy-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl}-2-hydroxyethanone, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Xie, T, Peng, W, Liu, Y, Yan, C, Shi, Y. | | Deposit date: | 2013-01-18 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Structural Basis of RIP1 Inhibition by Necrostatins.
Structure, 21, 2013
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4ITJ
 | | Crystal structure of RIP1 kinase in complex with necrostatin-4 | | Descriptor: | IODIDE ION, N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-5-cyano-1-methyl-1H-pyrrole-2-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Xie, T, Peng, W, Liu, Y, Yan, C, Shi, Y. | | Deposit date: | 2013-01-18 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis of RIP1 Inhibition by Necrostatins.
Structure, 21, 2013
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4ITH
 | | Crystal structure of RIP1 kinase in complex with necrostatin-1 analog | | Descriptor: | (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1, ... | | Authors: | Xie, T, Peng, W, Liu, Y, Yan, C, Shi, Y. | | Deposit date: | 2013-01-18 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Basis of RIP1 Inhibition by Necrostatins.
Structure, 21, 2013
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2JWO
 | | A PHD finger motif in the C-terminus of RAG2 modulates recombination activity | | Descriptor: | V(D)J recombination-activating protein 2, ZINC ION | | Authors: | Ivanov, D, Hyberts, S.G, Sun, Z, Wagner, G. | | Deposit date: | 2007-10-17 | | Release date: | 2007-11-06 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | A PHD finger motif in the C terminus of RAG2 modulates recombination activity.
J.Biol.Chem., 280, 2005
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2L5F
 | | Solution structure of the tandem WW domains from HYPA/FBP11 | | Descriptor: | Pre-mRNA-processing factor 40 homolog A | | Authors: | Jiang, Y, Hu, H. | | Deposit date: | 2010-11-01 | | Release date: | 2011-05-11 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Interaction with polyglutamine expanded huntingtin alters cellular distribution and RNA processing of huntingtin yeast two-hybrid protein A (HYPA)
To be Published
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