PDB: 19952 resultsInfo pagesStatus searchChemie searchBIRD

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3UY6	BlaR1 sensor domain from Staphylococcus aureus with N439V mutation Descriptor: GLYCEROL, Regulatory protein BlaR1, SULFATE ION Authors: Baker, B.M, Borbulevych, O.Y. Deposit date: 2011-12-05 Release date: 2012-02-08 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.1 Å) Cite: An amino acid position at crossroads of evolution of protein function: antibiotic sensor domain of BlaR1 protein from Staphylococcus aureus versus clasS D beta-lactamases J.Biol.Chem., 287, 2012
3UJR	Asymmetric complex of human neuron specific enolase-5-PGA/PEP Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-PHOSPHOGLYCERIC ACID, Gamma-enolase, ... Authors: Qin, J, Chai, G, Brewer, J, Lovelace, L, Lebioda, L. Deposit date: 2011-11-08 Release date: 2012-08-22 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Structures of asymmetric complexes of human neuron specific enolase with resolved substrate and product and an analogous complex with two inhibitors indicate subunit interaction and inhibitor cooperativity. J.Inorg.Biochem., 111, 2012
3ULB	Crystal structure of the pleckstrin homology domain of Saccharomyces cerevisiae Avo1, a TORC2 subunit, in the P212121 crystal form Descriptor: Target of rapamycin complex 2 subunit AVO1 Authors: Pan, D, Matsuura, Y. Deposit date: 2011-11-10 Release date: 2012-04-11 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Structures of the pleckstrin homology domain of Saccharomyces cerevisiae Avo1 and its human orthologue Sin1, an essential subunit of TOR complex 2 Acta Crystallogr.,Sect.F, 68, 2012
3UMC	Crystal Structure of the L-2-Haloacid Dehalogenase PA0810 Descriptor: CHLORIDE ION, SODIUM ION, haloacid dehalogenase Authors: Petit, P, Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. Deposit date: 2011-11-13 Release date: 2012-11-14 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.15 Å) Cite: Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination To be Published
3V3J	Kinetic and structural studies of thermostabilized mutants of HCA II. Descriptor: Carbonic anhydrase 2, ZINC ION Authors: Boone, C.D, Fisher, S.Z, McKenna, R. Deposit date: 2011-12-13 Release date: 2012-06-20 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.63 Å) Cite: Kinetic and structural characterization of thermostabilized mutants of human carbonic anhydrase II. Protein Eng.Des.Sel., 25, 2012
3V4Z	D-alanine--D-alanine ligase from Yersinia pestis Descriptor: D-alanine--D-alanine ligase, DI(HYDROXYETHYL)ETHER, TRIETHYLENE GLYCOL Authors: Osipiuk, J, Nocek, B, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) Deposit date: 2011-12-15 Release date: 2011-12-28 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.69 Å) Cite: D-alanine--D-alanine ligase from Yersinia pestis. To be Published
3UPY	Crystal structure of the Brucella abortus enzyme catalyzing the first committed step of the methylerythritol 4-phosphate pathway. Descriptor: 3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID, MAGNESIUM ION, Oxidoreductase Authors: Calisto, B.M, Perez-Gil, J, Fita, I, Rodriguez-Concepcion, M. Deposit date: 2011-11-18 Release date: 2012-03-28 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of Brucella abortus deoxyxylulose-5-phosphate reductoisomerase-like (DRL) enzyme involved in isoprenoid biosynthesis. J.Biol.Chem., 287, 2012
3UQG	c-SRC kinase domain in complex with bumpless BKI analog UW1243 Descriptor: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src Authors: Merritt, E.A, Larson, E.T. Deposit date: 2011-11-20 Release date: 2012-03-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
3UQX	Crystal structure of BACE1 with its inhibitor Descriptor: Beta-secretase 1, CHLORIDE ION, N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-4-{4-[(1S)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl}-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide, ... Authors: Chen, T.T, Chen, W.Y, Xu, Y.C. Deposit date: 2011-11-21 Release date: 2012-11-21 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Flexibility of the Flap in the Active Site of BACE1 as Revealed by Crystal Structures and MD simulations to be published
3V58	Crystal Structure of the B-phycoerythrin from the red algae Porphyridium Cruentum at pH5 Descriptor: PHYCOERYTHROBILIN, Phycoerythrin alpha subunit, Phycoerythrin beta subunit, ... Authors: Camara-Artigas, A. Deposit date: 2011-12-16 Release date: 2012-10-03 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.85 Å) Cite: pH-dependent structural conformations of B-phycoerythrin from Porphyridium cruentum Febs J., 279, 2012
3V5L	Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 542 Descriptor: 3-[3-(4-methoxyphenyl)-2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK Authors: McLean, L.R, Zhang, Y. Deposit date: 2011-12-16 Release date: 2012-05-02 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.86 Å) Cite: X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase. Bioorg.Med.Chem.Lett., 22, 2012
3V5T	Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with inhibitor UW1299 Descriptor: 1-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(6-ethoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1 Authors: Merritt, E.A, Larson, E.T. Deposit date: 2011-12-16 Release date: 2012-03-14 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.13 Å) Cite: Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1. J.Med.Chem., 55, 2012
3V6D	Crystal structure of HIV-1 reverse transcriptase (RT) cross-linked with AZT-terminated DNA Descriptor: DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), HIV-1 REVERSE TRANSCRIPTASE P51 subunit, ... Authors: Das, K, Martinez, S.E, Arnold, E. Deposit date: 2011-12-19 Release date: 2012-01-18 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.7048 Å) Cite: HIV-1 reverse transcriptase complex with DNA and nevirapine reveals non-nucleoside inhibition mechanism. Nat.Struct.Mol.Biol., 19, 2012
3UTF	Crystal structure of Aspergillus fumigatus UDP galactopyranose mutase in reduced state Descriptor: DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION, UDP-galactopyranose mutase Authors: Dhatwalia, R, Singh, H, Tanner, J.J. Deposit date: 2011-11-25 Release date: 2012-02-08 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Crystal Structures and Small-angle X-ray Scattering Analysis of UDP-galactopyranose Mutase from the Pathogenic Fungus Aspergillus fumigatus. J.Biol.Chem., 287, 2012
3UU1	Anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis (complex with inhibitor ACS142) Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-amino-3,5-dimethylbenzoic acid, Anthranilate phosphoribosyltransferase, ... Authors: Castell, A, Short, F.L, Lott, J.S. Deposit date: 2011-11-27 Release date: 2012-12-12 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.82 Å) Cite: The Substrate Capture Mechanism of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Provides a Mode for Inhibition. Biochemistry, 52, 2013
3UJN	Formyl Glycinamide Ribonucleotide Amidotransferase from Salmonella Typhimurium : Role of the ATP complexation and glutaminase domain in catalytic coupling Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase, ... Authors: Anand, R, Morar, M, Tanwar, A.S, Panjikar, S. Deposit date: 2011-11-08 Release date: 2012-06-06 Last modified: 2013-09-11 Method: X-RAY DIFFRACTION (2.98 Å) Cite: Formylglycinamide ribonucleotide amidotransferase from Salmonella typhimurium: role of ATP complexation and the glutaminase domain in catalytic coupling Acta Crystallogr.,Sect.D, 68, 2012
3UKL	Crystal structure of UDP-galactopyranose mutase from Aspergillus fumigatus in complex with UDP Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, UDP-galactopyranose mutase, ... Authors: Van Straaten, K.E, Sanders, D.A.R. Deposit date: 2011-11-09 Release date: 2012-02-22 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.63 Å) Cite: Structural Insight into the Unique Substrate Binding Mechanism and Flavin Redox State of UDP-galactopyranose Mutase from Aspergillus fumigatus. J.Biol.Chem., 287, 2012
3UMM	Formylglycinamide ribonucleotide amidotransferase from Salmonella typhimurium: Role of the ATP complexation and glutaminase domain in catalytic coupling Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... Authors: Anand, R, Morar, M, Tanwar, A.S, Panjikar, S. Deposit date: 2011-11-14 Release date: 2012-06-06 Last modified: 2013-09-11 Method: X-RAY DIFFRACTION (3.2 Å) Cite: Formylglycinamide ribonucleotide amidotransferase from Salmonella typhimurium: role of ATP complexation and the glutaminase domain in catalytic coupling Acta Crystallogr.,Sect.D, 68, 2012
3UXE	Design, Synthesis and Biological Evaluation of Potent Quinoline and Pyrroloquinoline Ammosamide Analogues as Inhibitors for Quinone Reductase 2 Descriptor: 8-amino-7-chloro-1-methyl-6-(methylideneamino)-2-oxo-1,2-dihydropyrrolo[4,3,2-de]quinoline-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... Authors: Reddy, N.P, Jensen, K.C, Mesecar, A.D, Fanwick, P.E, Cushman, M. Deposit date: 2011-12-05 Release date: 2012-01-18 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Design, synthesis, and biological evaluation of potent quinoline and pyrroloquinoline ammosamide analogues as inhibitors of quinone reductase 2. J.Med.Chem., 55, 2012
3UZV	Crystal structure of the dengue virus serotype 2 envelope protein domain III in complex with the variable domains of Mab 4E11 Descriptor: ETHANOL, anti-dengue Mab 4E11, envelope protein Authors: Cockburn, J.J.B, Navarro Sanchez, M.E, Fretes, N, Urvoas, A, Staropoli, I, Kikuti, C.M, Coffey, L.L, Arenzana Seisdedos, F, Bedouelle, H, Rey, F.A. Deposit date: 2011-12-07 Release date: 2012-02-22 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Mechanism of dengue virus broad cross-neutralization by a monoclonal antibody. Structure, 20, 2012
3UOG	Crystal structure of putative Alcohol dehydrogenase from Sinorhizobium meliloti 1021 Descriptor: Alcohol dehydrogenase, SULFATE ION Authors: Malashkevich, V.N, Bhosle, R, Toro, R, Seidel, R, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) Deposit date: 2011-11-16 Release date: 2011-12-07 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Crystal structure of putative Alcohol dehydrogenase from Sinorhizobium meliloti 1021 To be Published
3UOY	Crystal Structure of OTEMO complex with FAD and NADP (form 1) Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OTEMO, ... Authors: Shi, R, Matte, A, Cygler, M, Lau, P. Deposit date: 2011-11-17 Release date: 2012-02-01 Last modified: 2024-10-09 Method: X-RAY DIFFRACTION (2 Å) Cite: Cloning, Baeyer-Villiger biooxidations, and structures of the camphor pathway 2-oxo-{Delta}(3)-4,5,5-trimethylcyclopentenylacetyl-coenzyme A monooxygenase of Pseudomonas putida ATCC 17453. Appl.Environ.Microbiol., 78, 2012
3UPT	Crystal structure of a transketolase from Burkholderia pseudomallei bound to TPP, calcium and ribose-5-phosphate Descriptor: 5-O-phosphono-beta-D-ribofuranose, BROMIDE ION, CALCIUM ION, ... Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2011-11-18 Release date: 2011-12-14 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Combining functional and structural genomics to sample the essential Burkholderia structome. Plos One, 8, 2013
3UJK	Crystal structure of protein phosphatase ABI2 Descriptor: MAGNESIUM ION, Protein phosphatase 2C 77 Authors: Zhou, X.E, Soon, F.-F, Ng, L.-M, Kovach, A, Tan, M.H.E, Suino-Powell, K.M, He, Y, Xu, Y, Brunzelle, J.S, Li, J, Melcher, K, Xu, H.E. Deposit date: 2011-11-07 Release date: 2012-02-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Molecular mimicry regulates ABA signaling by SnRK2 kinases and PP2C phosphatases. Science, 335, 2012
3UMB	Crystal Structure of the L-2-Haloacid Dehalogenase RSc1362 Descriptor: CHLORIDE ION, MAGNESIUM ION, POTASSIUM ION, ... Authors: Petit, P, Chan, P.W.Y, Savchenko, A, Yakunin, A.F, Edwards, E.A, Pai, E.F. Deposit date: 2011-11-12 Release date: 2012-11-14 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Structural adaptations of L-2-haloacid dehalogenases that enable hydrolytic defluorination To be Published

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