PDB: 223790 resultsInfo pagesStatus searchChemie searchBIRD

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4DE2	CTX-M-9 class A beta-lactamase complexed with compound 12 Descriptor: 3-[(dimethylamino)methyl]-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase, DIMETHYL SULFOXIDE Authors: Nichols, D.A, Chen, Y. Deposit date: 2012-01-19 Release date: 2012-03-28 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Structure-Based Design of Potent and Ligand-Efficient Inhibitors of CTX-M Class A Beta-Lactamase J.Med.Chem., 55, 2012
2O2I	Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,3-propandiol Descriptor: 1,3-PROPANDIOL, BROMIDE ION, Haloalkane dehalogenase 3 Authors: Mazumdar, P.A, Hulecki, J, Cherney, M.M, Garen, C.R, James, M.N.G, TB Structural Genomics Consortium (TBSGC) Deposit date: 2006-11-29 Release date: 2007-11-13 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,3-propandiol To be Published
3SWK	Crystal structure of vimentin coil1B fragment Descriptor: Vimentin Authors: Chernyatina, A.A, Strelkov, S.V. Deposit date: 2011-07-14 Release date: 2012-08-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Atomic structure of the vimentin central alpha-helical domain and its implications for intermediate filament assembly. Proc.Natl.Acad.Sci.USA, 109, 2012
3GZ4	Crystal structure of putative short chain dehydrogenase FROM ESCHERICHIA COLI CFT073 complexed with NADPH Descriptor: Hypothetical oxidoreductase yciK, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Malashkevich, V.N, Toro, R, Morano, C, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) Deposit date: 2009-04-06 Release date: 2009-04-14 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal structure of putative short chain dehydrogenase FROM ESCHERICHIA COLI CFT073 complexed with NADPH To be Published
4DR5	Crystal structure of the Thermus thermophilus (HB8) 30S ribosomal subunit with codon, crystallographically disordered cognate transfer RNA anticodon stem-loop and streptomycin bound Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... Authors: Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. Deposit date: 2012-02-16 Release date: 2012-11-14 Last modified: 2013-01-30 Method: X-RAY DIFFRACTION (3.45 Å) Cite: A structural basis for streptomycin-induced misreading of the genetic code. Nat Commun, 4, 2013
4HR2	Structure of nucleoside diphosphate kinase (NDK) from Burkholderia thailandensis bound to ADP Descriptor: ADENOSINE-5'-DIPHOSPHATE, Nucleoside diphosphate kinase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-10-26 Release date: 2012-11-07 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Structure of nucleoside diphosphate kinase (NDK) from Burkholderia thailandensis bound to ADP To be Published
3GTY	Promiscuous Substrate Recognition in Folding and Assembly Activities of the Trigger Factor Chaperone Descriptor: 30S ribosomal protein S7, Trigger factor Authors: Martinez-Hackert, E, Hendrickson, W.A. Deposit date: 2009-03-28 Release date: 2009-12-22 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (3.4 Å) Cite: Promiscuous substrate recognition in folding and assembly activities of the trigger factor chaperone Cell(Cambridge,Mass.), 138, 2009
3SVG	Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand Descriptor: (1R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxyphenyl]ethanol, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 Authors: Filippakopoulos, P, Picaud, S, Felletar, I, Hewings, S.D, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Conway, S.J, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2011-07-12 Release date: 2011-08-10 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Crystal Structure of the first bromodomain of human BRD4 in complex with a 3,5-dimethylisoxazol ligand TO BE PUBLISHED
2O4L	Crystal Structure of HIV-1 Protease (Q7K, I50V) in Complex with Tipranavir Descriptor: CHLORIDE ION, GLYCEROL, N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6-PHENETHYL-6-PROPYL-5,6-DIHYDRO-2H-PYRAN-3-YL]PROPYL}PHENYL)-5-(TRIFLUOROMETHYL)-2-PYRIDINESULFONAMIDE, ... Authors: Armstrong, A.A, Muzammil, S, Jakalian, A, Bonneau, P.R, Schmelmer, V, Freire, E, Amzel, L.M. Deposit date: 2006-12-04 Release date: 2006-12-12 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.33 Å) Cite: Unique thermodynamic response of tipranavir to human immunodeficiency virus type 1 protease drug resistance mutations. J.Virol., 81, 2007
4DGC	TRIMCyp cyclophilin domain from Macaca mulatta: cyclosporin A complex Descriptor: TRIMCyp, cyclosporin A Authors: Caines, M.E.C, Bichel, K, Price, A.J, McEwan, W.A, James, L.C. Deposit date: 2012-01-25 Release date: 2012-02-08 Last modified: 2023-12-06 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Diverse HIV viruses are targeted by a conformationally dynamic antiviral. Nat.Struct.Mol.Biol., 19, 2012
3SVT	Structure of a short-chain type dehydrogenase/reductase from Mycobacterium ulcerans Descriptor: CHLORIDE ION, SODIUM ION, Short-chain type dehydrogenase/reductase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2011-07-12 Release date: 2011-07-20 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
2I51	CRYSTAL STRUCTURE OF a pyridoxamine 5'-phosphate oxidase-related, FMN binding protein (NPUN_F5749) FROM NOSTOC PUNCTIFORME PCC 73102 AT 1.40 A RESOLUTION Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2006-08-23 Release date: 2006-09-05 Last modified: 2017-10-25 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Crystal structure of Uncharacterized conserved protein of COG5135 (ZP_00109616.1) from Nostoc punctiforme PCC 73102 at 1.40 A resolution To be published
3GVC	Crystal structure of probable short-chain dehydrogenase-reductase from Mycobacterium tuberculosis Descriptor: Probable short-chain type dehydrogenase/reductase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2009-03-30 Release date: 2009-04-07 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
3H1P	Mature Caspase-7 I213A with DEVD-CHO inhibitor bound to active site Descriptor: Caspase-7, N-ACETYL-L-ALPHA-ASPARTYL-L-ALPHA-GLUTAMYL-N-[(2S)-1-CARBOXY-3-HYDROXYPROPAN-2-YL]-L-VALINAMIDE Authors: Witkowski, W.A, Hardy, J.A. Deposit date: 2009-04-13 Release date: 2009-06-30 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (2.61 Å) Cite: L2' loop is critical for caspase-7 active site formation. Protein Sci., 18, 2009
4HTR	N149W variant of SiRHP bound to sulfite Descriptor: IRON/SULFUR CLUSTER, SIROHEME, SODIUM ION, ... Authors: Smith, K.W, Stroupe, M.E. Deposit date: 2012-11-01 Release date: 2013-01-16 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Mutational analysis of sulfite reductase hemoprotein reveals the mechanism for coordinated electron and proton transfer. Biochemistry, 51, 2012
4HU9	E. coli thioredoxin variant with (4S)-FluoroPro76 as single proline residue Descriptor: COPPER (II) ION, Thioredoxin-1 Authors: Scharer, M.A, Rubini, M, Capitani, G, Glockshuber, R. Deposit date: 2012-11-02 Release date: 2013-05-29 Last modified: 2017-09-20 Method: X-RAY DIFFRACTION (1.55 Å) Cite: (4R)- and (4S)-Fluoroproline in the Conserved cis-Prolyl Peptide Bond of the Thioredoxin Fold: Tertiary Structure Context Dictates Ring Puckering. Chembiochem, 14, 2013
4DJY	Structure of BACE Bound to (R)-5-cyclopropyl-2-imino-3-methyl-5-(3-(5-(prop-1-yn-1-yl)pyridin-3-yl)phenyl)imidazolidin-4-one Descriptor: (2E,5R)-5-cyclopropyl-2-imino-3-methyl-5-{3-[5-(prop-1-yn-1-yl)pyridin-3-yl]phenyl}imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID Authors: Strickland, C, Cumming, J. Deposit date: 2012-02-02 Release date: 2012-03-21 Last modified: 2012-04-04 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor. Bioorg.Med.Chem.Lett., 22, 2012
3H3S	Crystal structure of the CERT START domain in complex with HPA-15 Descriptor: Goodpasture antigen binding protein, N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]pentadecanamide Authors: Kudo, N, Wakatsuki, S, Kato, R. Deposit date: 2009-04-17 Release date: 2010-03-02 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.66 Å) Cite: Crystal structures of the CERT START domain with inhibitors provide insights into the mechanism of ceramide transfer. J.Mol.Biol., 396, 2010
3T3Y	Crystal structure of AlkB in complex with Fe(III) and 2-(3-hydroxypicolinomido)acetic acid Descriptor: Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, N-[(3-hydroxypyridin-2-yl)carbonyl]glycine Authors: Aik, W.S, McDonough, M.A, Schofield, C.J. Deposit date: 2011-07-25 Release date: 2012-03-07 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.001 Å) Cite: Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase. J.Med.Chem., 55, 2012
4HWG	Structure of UDP-N-acetylglucosamine 2-epimerase from Rickettsia bellii Descriptor: PHOSPHATE ION, UDP-N-acetylglucosamine 2-epimerase Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2012-11-07 Release date: 2012-11-28 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of UDP-N-acetylglucosamine 2-epimerase from Rickettsia bellii TO BE PUBLISHED
4DLZ	H-Ras Set 2 Ca(OAc)2/DTE, ordered off Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, CALCIUM ION, GTPase HRas, ... Authors: Holzapfel, G, Mattos, C. Deposit date: 2012-02-06 Release date: 2012-08-08 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.662 Å) Cite: Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition. Biochemistry, 51, 2012
3H5G	Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. Descriptor: ACETATE ION, COIL SER L16D-Pen, ZINC ION Authors: Peacock, A.F.A, Stuckey, J.A, Pecoraro, V.L. Deposit date: 2009-04-22 Release date: 2009-07-14 Last modified: 2023-11-22 Method: X-RAY DIFFRACTION (1.71 Å) Cite: Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. Angew.Chem.Int.Ed.Engl., 48, 2009
4HWP	Crystal structure of E. coli Threonyl-tRNA synthetase bound to a novel inhibitor Descriptor: N-{[3-(4-amino-2-methylquinazolin-7-yl)phenyl]sulfonyl}-L-threoninamide, Threonine--tRNA ligase, ZINC ION Authors: Hilgers, M.T. Deposit date: 2012-11-08 Release date: 2013-09-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.807 Å) Cite: Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design. J.Med.Chem., 56, 2013
3T46	Crystal structure of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.5 Angstrom Descriptor: SCIN-D, SODIUM ION Authors: Garcia, B.L, Geisbrecht, B.V, Summers, B.J. Deposit date: 2011-07-25 Release date: 2011-11-23 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family. J.Biol.Chem., 287, 2012
3T49	Crystal structure of truncated form of Staphylococcal Complement Inhibitor B (SCIN-B) at 1.5 Angstrom Descriptor: Fibrinogen-binding protein, GLYCEROL, SULFATE ION Authors: Garcia, B.L, Geisbrecht, B.V, Summers, B.J. Deposit date: 2011-07-25 Release date: 2011-11-23 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family. J.Biol.Chem., 287, 2012

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