7N68
 
 | | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988288 | | Descriptor: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein,Polymerase acidic protein, ... | | Authors: | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | | Deposit date: | 2021-06-07 | | Release date: | 2022-06-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
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2JC1
 | | CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB698223 | | Descriptor: | (2S,4S,5R)-1-(4-TERT-BUTYLBENZOYL)-2-ISOBUTYL-5-(1,3-THIAZOL-2-YL)PYRROLIDINE-2,4-DICARBOXYLIC ACID, RNA-DEPENDENT RNA-POLYMERASE | | Authors: | Wonacott, A, Skarzynski, T, Singh, O.M. | | Deposit date: | 2006-12-18 | | Release date: | 2007-02-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Optimization of Novel Acyl Pyrrolidine Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase Leading to a Development Candidate.
J.Med.Chem., 50, 2007
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2JC0
 | | CRYSTAL STRUCTURE OF HEPATITIS C VIRUS POLYMERASE IN COMPLEX WITH INHIBITOR SB655264 | | Descriptor: | (2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)-1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE-2,4-DICARBOXYLIC ACID, RNA-DEPENDENT RNA-POLYMERASE | | Authors: | Wonacott, A, Skarzynski, T, Singh, O.M. | | Deposit date: | 2006-12-18 | | Release date: | 2007-02-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Optimization of Novel Acyl Pyrrolidine Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase Leading to a Development Candidate.
J.Med.Chem., 50, 2007
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2K0U
 | | High Resolution Solution NMR Structures of Oxaliplatin-DNA Adduct | | Descriptor: | CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3') | | Authors: | Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L. | | Deposit date: | 2008-02-15 | | Release date: | 2009-02-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
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2K0V
 | | High Resolution Solution NMR Structures of Undamaged DNA Dodecamer Duplex | | Descriptor: | DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3') | | Authors: | Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L. | | Deposit date: | 2008-02-15 | | Release date: | 2009-02-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
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2KXO
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2KZ7
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2K0T
 | | High Resolution Solution NMR Structures of Oxaliplatin-DNA Adduct | | Descriptor: | CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II), DNA (5'-D(*DCP*DCP*DTP*DCP*DTP*DGP*DGP*DTP*DCP*DTP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DAP*DGP*DAP*DCP*DCP*DAP*DGP*DAP*DGP*DG)-3') | | Authors: | Bhattacharyya, D, King, C.L, Chaney, S.G, Campbell, S.L. | | Deposit date: | 2008-02-14 | | Release date: | 2009-02-03 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Flanking Bases Influence the Nature of DNA Distortion by Platinum 1,2-Intrastrand (GG) Cross-Links.
Plos One, 6, 2011
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2LTN
 | | DESIGN, EXPRESSION, AND CRYSTALLIZATION OF RECOMBINANT LECTIN FROM THE GARDEN PEA (PISUM SATIVUM) | | Descriptor: | CALCIUM ION, MANGANESE (II) ION, PEA LECTIN, ... | | Authors: | Suddath, F.L, Phillips, S.R, Einspahr, H. | | Deposit date: | 1990-06-26 | | Release date: | 1990-07-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Design, expression, and crystallization of recombinant lectin from the garden pea (Pisum sativum).
J.Biol.Chem., 264, 1989
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2M0U
 | | Complex structure of C-terminal CFTR peptide and extended PDZ1 domain from NHERF1 | | Descriptor: | C-terminal CFTR peptide, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | | Authors: | Bhattacharya, S, Ju, J.H, Cowburn, D, Bu, Z. | | Deposit date: | 2012-11-06 | | Release date: | 2013-04-24 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Ligand-Induced Dynamic Changes in Extended PDZ Domains from NHERF1.
J.Mol.Biol., 425, 2013
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2L5K
 | | Solution structure of truncated 23-mer DNA MUC1 aptamer | | Descriptor: | DNA (5'-R(*(N68)P*G)-D(*CP*AP*GP*TP*TP*GP*AP*TP*CP*CP*TP*TP*TP*GP*GP*AP*TP*AP*CP*CP*CP*TP*GP*GP*T)-3') | | Authors: | Cognet, J, Baouendi, M, Hantz, E, Missailidis, S, Herve du Penhoat, C, Piotto, M. | | Deposit date: | 2010-11-02 | | Release date: | 2011-12-07 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a truncated anti-MUC1 DNA aptamer determined by mesoscale modeling and NMR.
Febs J., 279, 2012
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2L5G
 | | Co-ordinates and 1H, 13C and 15N chemical shift assignments for the complex of GPS2 53-90 and SMRT 167-207 | | Descriptor: | G protein pathway suppressor 2, Putative uncharacterized protein NCOR2 | | Authors: | Oberoi, J, Yang, J, Neuhaus, D, Schwabe, J.W.R. | | Deposit date: | 2010-11-01 | | Release date: | 2011-02-02 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural basis for the assembly of the SMRT/NCoR core transcriptional repression machinery.
Nat.Struct.Mol.Biol., 18, 2011
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2KIF
 | | Solution NMR structure of an O6-methylguanine DNA methyltransferase family protein from Vibrio parahaemolyticus. Northeast Structural Genomics Consortium target VpR247. | | Descriptor: | O6-methylguanine-DNA methyltransferase | | Authors: | Aramini, J.M, Belote, R.L, Ciccosanti, C.T, Jiang, M, Rost, B, Nair, R, Swapna, G.V.T, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2009-05-03 | | Release date: | 2009-06-30 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural basis of O6-alkylguanine recognition by a bacterial alkyltransferase-like DNA repair protein.
J.Biol.Chem., 285, 2010
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2M7I
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2M7J
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2M0V
 | | Complex structure of C-terminal CFTR peptide and extended PDZ2 domain from NHERF1 | | Descriptor: | C-terminal CFTR peptide, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | | Authors: | Bhattacharya, S, Ju, J.H, Cowburn, D, Bu, Z. | | Deposit date: | 2012-11-06 | | Release date: | 2013-04-24 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Ligand-Induced Dynamic Changes in Extended PDZ Domains from NHERF1.
J.Mol.Biol., 425, 2013
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2M0T
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5I5X
 | | X-RAY CRYSTAL STRUCTURE AT 1.65A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A THIAZOLE COMPOUND AND PMP COFACTOR. | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 5-methyl-4-oxo-N-(1,3,4-thiadiazol-2-yl)-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide, ... | | Authors: | Somers, D.O. | | Deposit date: | 2016-02-15 | | Release date: | 2016-03-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structurally Diverse Mitochondrial Branched Chain Aminotransferase (BCATm) Leads with Varying Binding Modes Identified by Fragment Screening.
J.Med.Chem., 59, 2016
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2M16
 | | P75/LEDGF PWWP Domain | | Descriptor: | PC4 and SFRS1-interacting protein | | Authors: | Crowe, B.L, Foster, M.P. | | Deposit date: | 2012-11-18 | | Release date: | 2013-02-27 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural basis for high-affinity binding of LEDGF PWWP to mononucleosomes.
Nucleic Acids Res., 41, 2013
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5IGQ
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5IJN
 | | Composite structure of the inner ring of the human nuclear pore complex (32 copies of Nup205) | | Descriptor: | NUCLEAR PORE COMPLEX PROTEIN NUP155, NUCLEAR PORE COMPLEX PROTEIN NUP205, NUCLEAR PORE COMPLEX PROTEIN NUP54, ... | | Authors: | Kosinski, J, Mosalaganti, S, von Appen, A, Beck, M. | | Deposit date: | 2016-03-02 | | Release date: | 2016-04-27 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (21.4 Å) | | Cite: | Molecular architecture of the inner ring scaffold of the human nuclear pore complex.
Science, 352, 2016
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5IMN
 | | Crystal structure of N299A/S303A Aspergillus terreus aristolochene synthase complexed with (1S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium | | Descriptor: | (1S,5S,8S,9aR)-1,9a-dimethyl-8-(prop-1-en-2-yl)octahydro-2H-quinolizinium, Aristolochene synthase, GLYCEROL, ... | | Authors: | Chen, M, Christianson, D.W. | | Deposit date: | 2016-03-06 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.527 Å) | | Cite: | Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase.
Biochemistry, 55, 2016
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5ITA
 | | Crystal Structure of BRAF Kinase Domain Bound to AZ-VEM | | Descriptor: | N-{2-cyano-3-[(3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]phenyl}propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Wu, Y, Gavathiotis, E. | | Deposit date: | 2016-03-16 | | Release date: | 2016-08-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | An integrated model of RAF inhibitor action predicts inhibitor activity against oncogenic BRAF signaling
Cancer Cell, 30, 2016
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5I5W
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5IVT
 | | Crystal Structure of HIV Protease complexed with [(1S)-1-[(S)-(4-chlorophenyl)-(3,5-difluorophenyl)methyl]-2-[[5-fluoro-4-[2-[(2R,5S)-5-(2,2,2-trifluoroethylcarbamoyloxymethyl)morpholin-4-ium-2-yl]ethyl]pyridin-1-ium-3-yl]amino]-2-oxo-ethyl]ammonium | | Descriptor: | (betaS)-4-chloro-beta-(3,5-difluorophenyl)-N-(5-fluoro-4-{2-[(2R,5S)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-L-phenylalaninamide, ACETATE ION, CHLORIDE ION, ... | | Authors: | Su, H.P. | | Deposit date: | 2016-03-21 | | Release date: | 2016-05-18 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
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