3ZO8
 
 | | Wild-type chorismate mutase of Bacillus subtilis at 1.6 A resolution | | Descriptor: | CHORISMATE MUTASE AROH | | Authors: | Burschowsky, D, vanEerde, A, Okvist, M, Kienhofer, A, Kast, P, Hilvert, D, Krengel, U. | | Deposit date: | 2013-02-20 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Electrostatic Transition State Stabilization Rather Than Reactant Destabilization Provides the Chemical Basis for Efficient Chorismate Mutase Catalysis.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3HMN
 | | Crystal structure of human Mps1 catalytic domain in complex with ATP | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, ADENOSINE-5'-TRIPHOSPHATE, Dual specificity protein kinase TTK | | Authors: | Chu, M.L.H, Chavas, L.M.G, Williams, D.H, Tabernero, L, Eyers, P.A. | | Deposit date: | 2009-05-29 | | Release date: | 2010-02-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Biophysical and X-ray crystallographic analysis of Mps1 kinase inhibitor complexes.
Biochemistry, 49, 2010
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3ZU5
 | | Structure of the enoyl-ACP reductase FabV from Yersinia pestis with the cofactor NADH and the 2-pyridone inhibitor PT173 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 1-(3-amino-2-methylbenzyl)-4-hexylpyridin-2(1H)-one, PUTATIVE REDUCTASE YPO4104/Y4119/YP_4011, ... | | Authors: | Hirschbeck, M.W, Kuper, J, Tonge, P.J, Kisker, C. | | Deposit date: | 2011-07-13 | | Release date: | 2012-01-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of the Yersinia Pestis Fabv Enoyl-Acp Reductase and its Interaction with Two 2-Pyridone Inhibitors
Structure, 20, 2012
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4H6T
 | | Crystal structure of prethrombin-2 mutant E14eA/D14lA/E18A/S195A | | Descriptor: | PHOSPHATE ION, Prothrombin | | Authors: | Pozzi, N, Chen, Z, Zapata, F, Pelc, L.A, Di Cera, E. | | Deposit date: | 2012-09-19 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Autoactivation of thrombin precursors.
J.Biol.Chem., 288, 2013
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4H95
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4B7V
 | | Structure of wild type Pseudomonas aeruginosa FabF (KASII) | | Descriptor: | 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 2, POTASSIUM ION | | Authors: | Lecker, L, Baum, B, Zoltner, M, Hunter, W.N. | | Deposit date: | 2012-08-22 | | Release date: | 2013-09-04 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structures of Pseudomonas Aeruginosa Beta-Keto-Acyl-(Acyl-Carrier-Protein) Synthase II (Fabf) and a C164Q Mutant Provide Templates for Antibacterial Drug Discovery and Identify a Buried Potassium Ion and a Ligand-Binding Site that is an Artefact of the Crystal Form
Acta Crystallogr.,Sect.F, 71, 2015
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3KM3
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3KM8
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6V23
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4AWQ
 | | Complex of HSP90 ATPase domain with tropane derived inhibitors | | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide | | Authors: | Lougheed, J.C, Stout, T.J. | | Deposit date: | 2012-06-05 | | Release date: | 2012-08-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90.
Bioorg.Med.Chem.Lett., 22, 2012
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4BBF
 | | Aminoalkylpyrimidine Inhibitor Complexes with JAK2 | | Descriptor: | (2R)-N-[4-[2-[(4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide, TYROSINE-PROTEIN KINASE JAK2 | | Authors: | Li, J. | | Deposit date: | 2012-09-21 | | Release date: | 2012-11-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Sar and in Vivo Evaluation of 4-Aryl-2-Aminoalkylpyrimidines as Potent and Selective Janus Kinase 2 (Jak2) Inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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6PT6
 | | Crystal structure of PsS1_NC C84S in complex with i-neocarratetraose | | Descriptor: | 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, exo-2S-iota carrageenan S1 sulfatase | | Authors: | Hettle, A.G, Boraston, A.B. | | Deposit date: | 2019-07-15 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
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4K3Q
 | | E. coli sliding clamp in complex with AcQLDAF | | Descriptor: | (ACE)QLDAF, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Yin, Z, Oakley, A.J. | | Deposit date: | 2013-04-11 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp
J.Med.Chem., 56, 2013
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6V28
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3I46
 | | Crystal structure of beta toxin from Staphylococcus aureus F277A, P278A mutant with bound calcium ions | | Descriptor: | Beta-hemolysin, CALCIUM ION, CHLORIDE ION | | Authors: | Huseby, M, Shi, K, Kruse, A.C, Ohlendorf, D.H. | | Deposit date: | 2009-07-01 | | Release date: | 2010-07-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure and biological functions of beta toxin from Staphylococcus aureus: Role of the hydrophobic beta hairpin in virulence
To be Published
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4K8W
 | | An arm-swapped dimer of the S. pyogenes pilin specific assembly factor SipA | | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, LepA | | Authors: | Young, P.G, Kang, H.J, Baker, E.N. | | Deposit date: | 2013-04-19 | | Release date: | 2013-06-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | An arm-swapped dimer of the Streptococcus pyogenes pilin specific assembly factor SipA.
J.Struct.Biol., 183, 2013
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4KDV
 | | Crystal structure of a bacterial immunoglobulin-like domain from the M. primoryensis ice-binding adhesin | | Descriptor: | Antifreeze protein, CALCIUM ION | | Authors: | Guo, S, Garnham, C.P, Karunan, S.P, Campbell, R.L, Allingham, J.S, Davies, P.L. | | Deposit date: | 2013-04-25 | | Release date: | 2013-10-02 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Role of Ca(2+) in folding the tandem beta-sandwich extender domains of a bacterial ice-binding adhesin.
Febs J., 280, 2013
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4A41
 | | CpGH89CBM32-5, from Clostridium perfringens, in complex with galactose | | Descriptor: | ALPHA-N-ACETYLGLUCOSAMINIDASE FAMILY PROTEIN, CALCIUM ION, SODIUM ION, ... | | Authors: | Ficko-Blean, E, Stuart, C.P, Suits, M.D, Cid, M, Tessier, M, Woods, R.J, Boraston, A.B. | | Deposit date: | 2011-10-06 | | Release date: | 2012-04-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Carbohydrate Recognition by an Architecturally Complex Alpha-N-Acetylglucosaminidase from Clostridium Perfringens.
Plos One, 7, 2012
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4KM3
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3I0E
 | | Crystal structure of GTB C80S/C196S + H-antigen | | Descriptor: | ABO glycosyltransferase, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside | | Authors: | Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V. | | Deposit date: | 2009-06-25 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
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3I0L
 | | Crystal structure of GTB C80S/C196S/C209S + DA + UDP-Gal | | Descriptor: | ABO glycosyltransferase, URIDINE-5'-DIPHOSPHATE, alpha-L-fucopyranose-(1-2)-hexyl beta-D-galactopyranoside, ... | | Authors: | Schuman, B, Persson, M, Landry, R.C, Polakowski, R, Weadge, J.T, Seto, N.O.L, Borisova, S, Palcic, M.M, Evans, S.V. | | Deposit date: | 2009-06-25 | | Release date: | 2010-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cysteine-to-serine mutants dramatically reorder the active site of human ABO(H) blood group B glycosyltransferase without affecting activity: structural insights into cooperative substrate binding
J.Mol.Biol., 402, 2010
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3HOJ
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6S39
 | | Fragment AZ-018 binding at the p53pT387/14-3-3 sigma interface | | Descriptor: | 14-3-3 protein sigma, 5-(3-azanylpropyl)-4-phenyl-thiophene-2-carboximidamide, CALCIUM ION, ... | | Authors: | Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C. | | Deposit date: | 2019-06-24 | | Release date: | 2020-06-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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3I69
 | | Apo Glutathione Transferase A1-1 GIMF-helix mutant | | Descriptor: | GLUTATHIONE, Glutathione S-transferase A1 | | Authors: | Balogh, L.M, Le Trong, I, Stenkamp, R.E, Atkins, W.M. | | Deposit date: | 2009-07-06 | | Release date: | 2009-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural analysis of a glutathione transferase A1-1 mutant tailored for high catalytic efficiency with toxic alkenals.
Biochemistry, 48, 2009
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6V2A
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