4WXY
 
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4WY0
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4WXZ
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1HR3
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9CGN
 | | Pikromycin Thioesterase with heptaketide adduct | | Descriptor: | (2S,4R,5S,6S,8R,12R,13R)-5,13-dihydroxy-2,4,6,8,12-pentamethyl-3,9-dioxopentadecanal, Narbonolide/10-deoxymethynolide synthase PikA4, module 6 | | Authors: | Smith, J.L, Choudhary, V. | | Deposit date: | 2024-06-30 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Substrate Trapping in Polyketide Synthase Thioesterase Domains: Structural Basis for Macrolactone Formation
Acs Catalysis, 14, 2024
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9CGO
 | | Tylosin thioesterase domain (TylG5 TE) | | Descriptor: | Tylactone synthase module 7 | | Authors: | Smith, J.L, Choudhary, V. | | Deposit date: | 2024-06-30 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Substrate Trapping in Polyketide Synthase Thioesterase Domains: Structural Basis for Macrolactone Formation
Acs Catalysis, 14, 2024
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4K91
 | | Crystal structure of Penicillin-Binding Protein 5 (PBP5) from Pseudomonas aeruginosa in apo state | | Descriptor: | D-ala-D-ala-carboxypeptidase, SUCCINIC ACID | | Authors: | Smith, J, Toth, M, Vakulenko, S, Mobashery, S, Chen, Y. | | Deposit date: | 2013-04-19 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural analysis of the role of Pseudomonas aeruginosa penicillin-binding protein 5 in beta-lactam resistance.
Antimicrob.Agents Chemother., 57, 2013
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1CQO
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1I8E
 | | NMR ENSEMBLE OF ION-SELECTIVE LIGAND A22 FOR PLATELET INTEGRIN ALPHAIIB-BETA3 | | Descriptor: | ION-SELECTIVE LIGAND A22 | | Authors: | Smith, J.W, Le Calvez, H, Parra-Gessert, L, Preece, N.E, Jia, X, Assa-Munt, N. | | Deposit date: | 2001-03-13 | | Release date: | 2002-07-10 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Selection and structure of ion-selective ligands for platelet integrin alpha IIb(beta) 3.
J.Biol.Chem., 277, 2002
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1I98
 | | NMR ENSEMBLE OF ION-SELECTIVE LIGAND D18 FOR PLATELET INTEGRIN ALPHAIIB-BETA3 | | Descriptor: | ION-SELECTIVE LIGAND D18 | | Authors: | Smith, J.W, Le Calvez, H, Parra-Gessert, L, Preece, N.E, Jia, X, Assa-Munt, N. | | Deposit date: | 2001-03-18 | | Release date: | 2002-07-10 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Selection and structure of ion-selective ligands for platelet integrin alpha IIb(beta) 3.
J.Biol.Chem., 277, 2002
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1I6Y
 | | NMR ENSEMBLE OF ION-SELECTIVE LIGAND A1 FOR PLATELET INTEGRIN ALPHAIIB-BETA3 | | Descriptor: | ION-SELECTIVE LIGAND A1 | | Authors: | Smith, J.W, Le Calvez, H, Parra-Gessert, L, Preece, N.E, Jia, X, Assa-Munt, N. | | Deposit date: | 2001-03-06 | | Release date: | 2002-07-10 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Selection and structure of ion-selective ligands for platelet integrin alpha IIb(beta) 3.
J.Biol.Chem., 277, 2002
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1I93
 | | NMR ENSEMBLE OF ION-SELECTIVE LIGAND D16 FOR PLATELET INTEGRIN ALPHAIIB-BETA3 | | Descriptor: | ION-SELECTIVE LIGAND D16 | | Authors: | Smith, J.W, Le Calvez, H, Parra-Gessert, L, Preece, N.E, Jia, X, Assa-Munt, N. | | Deposit date: | 2001-03-17 | | Release date: | 2002-07-10 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Selection and structure of ion-selective ligands for platelet integrin alpha IIb(beta) 3.
J.Biol.Chem., 277, 2002
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1QD9
 | | Bacillus subtilis YABJ | | Descriptor: | ACETIC ACID, ETHYL MERCURY ION, MERCURY (II) ION, ... | | Authors: | Smith, J.L, Sinha, S, Rappu, P, Lange, S.C, Mantsala, P, Zalkin, H. | | Deposit date: | 1999-07-09 | | Release date: | 1999-11-26 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of Bacillus subtilis YabJ, a purine regulatory protein and member of the highly conserved YjgF family.
Proc.Natl.Acad.Sci.USA, 96, 1999
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1DSM
 | | (-)-duocarmycin SA covalently linked to duplex DNA | | Descriptor: | 4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, 5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3', 5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3' | | Authors: | Smith, J.A, Case, D.A, Chazin, W.J. | | Deposit date: | 1999-03-27 | | Release date: | 1999-04-02 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | The structural basis for in situ activation of DNA alkylation by duocarmycin SA
J.Mol.Biol., 300, 2000
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1GPH
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1D0T
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1D0U
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5FFM
 | | Yellow fever virus helicase | | Descriptor: | Serine protease NS3 | | Authors: | Smith, J.L. | | Deposit date: | 2015-12-18 | | Release date: | 2015-12-30 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the Flavivirus helicase: implications for catalytic activity, protein interactions, and proteolytic processing.
J. Virol., 79, 2005
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2KYJ
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3FLB
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3FLA
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3EBX
 | | REFINEMENT AT 1.4 ANGSTROMS RESOLUTION OF A MODEL OF ERABUTOXIN B. TREATMENT OF ORDERED SOLVENT AND DISCRETE DISORDER | | Descriptor: | ERABUTOXIN B, SULFATE ION | | Authors: | Smith, J.L, Corfield, P.W.R, Hendrickson, W.A, Low, B.W. | | Deposit date: | 1988-01-15 | | Release date: | 1988-04-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Refinement at 1.4 A resolution of a model of erabutoxin b: treatment of ordered solvent and discrete disorder.
Acta Crystallogr.,Sect.A, 44, 1988
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7N2T
 | | O-acetylserine sulfhydrylase from Citrullus vulgaris in the internal aldimine state, with citrate bound | | Descriptor: | CITRIC ACID, Cysteine synthase, PENTAETHYLENE GLYCOL, ... | | Authors: | Smith, J.L, Buller, A.R, Bingman, C.A. | | Deposit date: | 2021-05-29 | | Release date: | 2022-07-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Investigation of beta-Substitution Activity of O-Acetylserine Sulfhydrolase from Citrullus vulgaris.
Chembiochem, 23, 2022
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6N3P
 | | Crosslinked AcpP=FabZ complex from E. coli Type II FAS | | Descriptor: | 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ, Acyl carrier protein, N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(3-{[(1Z)-pent-1-en-1-yl]sulfonyl}propyl)-beta-alaninamide | | Authors: | Smith, J.L, Dodge, G.J. | | Deposit date: | 2018-11-15 | | Release date: | 2019-03-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and dynamical rationale for fatty acid unsaturation inEscherichia coli.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6ZH9
 | | Ternary complex CR3022 H11-H4 and RBD (SARS-CoV-2) | | Descriptor: | CR3022 Light chain, CR3022 heavy, Nanobody H11-H4, ... | | Authors: | Naismith, J.H, Mikolajek, H, Le Bas, A. | | Deposit date: | 2020-06-21 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.31 Å) | | Cite: | Neutralizing nanobodies bind SARS-CoV-2 spike RBD and block interaction with ACE2.
Nat.Struct.Mol.Biol., 27, 2020
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