4AHU
 
 | | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | | Descriptor: | 1,2-ETHANEDIOL, 1H-INDOLE-3-CARBOXYLIC ACID, ACETIC ACID, ... | | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | | Deposit date: | 2012-02-07 | | Release date: | 2012-12-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Parallel Screening of Low Molecular Weight Fragment Libraries: Do Differences in Methodology Affect Hit Identification?
J.Biomol.Screen, 18, 2013
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2XB4
 | | Crystal structures of zinc containing Adenylate kinase from Desulfovibrio gigas | | Descriptor: | ADENYLATE KINASE, S,R MESO-TARTARIC ACID, ZINC ION | | Authors: | Mukhopadhyay, A, Kladova, A.V, Gavel, O.Y, Calvete, J.J, Shnyrov, V.L, Moura, I, Moura, J.J.G, Bursakov, S.A, Romao, M.J, Trincao, J. | | Deposit date: | 2010-04-05 | | Release date: | 2010-09-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the Zinc-, Cobalt-, and Iron-Containing Adenylate Kinase from Desulfovibrio Gigas: A Novel Metal-Containing Adenylate Kinase from Gram-Negative Bacteria.
J.Biol.Inorg.Chem., 16, 2011
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1RHT
 | | 24-MER RNA HAIRPIN COAT PROTEIN BINDING SITE FOR BACTERIOPHAGE R17 (NMR, MINIMIZED AVERAGE STRUCTURE) | | Descriptor: | RNA (5'-R(P*GP*GP*GP*AP*CP*UP*GP*AP*CP*GP*AP*UP*CP*AP*CP*GP*CP*AP*GP*UP*CP*UP*AP*U)-3') | | Authors: | Borer, P.N, Lin, Y, Wang, S, Roggenbuck, M.W, Gott, J.M, Uhlenbeck, O.C, Pelczer, I. | | Deposit date: | 1995-03-03 | | Release date: | 1995-06-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Proton NMR and structural features of a 24-nucleotide RNA hairpin.
Biochemistry, 34, 1995
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3R60
 | | Structure of the MntR Fe2+ Complex | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FE (II) ION, S-1,2-PROPANEDIOL, ... | | Authors: | Glasfeld, A, Brophy, M.B, Kliegman, J.I, Griner, S.L, Nix, J.C. | | Deposit date: | 2011-03-20 | | Release date: | 2012-04-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Roles of the A and C Sites in the Manganese-Specific Activation of MntR.
Biochemistry, 52, 2013
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5OQK
 | | Solution NMR structure of truncated, human Hv1/VSOP (Voltage-gated proton channel) | | Descriptor: | Voltage-gated hydrogen channel 1 | | Authors: | Bayrhuber, M, Maslennikov, I, Kwiatowski, W, Sobol, A, Wierschem, C, Eichmann, C, Riek, R. | | Deposit date: | 2017-08-12 | | Release date: | 2019-04-03 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Nuclear Magnetic Resonance Solution Structure and Functional Behavior of the Human Proton Channel.
Biochemistry, 58, 2019
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6FT1
 | | Crystal structure of oxidised Flavodoxin 1 from Bacillus cereus (1.4 A resolution) | | Descriptor: | FLAVIN MONONUCLEOTIDE, Flavodoxin, SULFATE ION, ... | | Authors: | Gudim, I, Lofstad, M, Hersleth, H.-P. | | Deposit date: | 2018-02-20 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High-resolution crystal structures reveal a mixture of conformers of the Gly61-Asp62 peptide bond in an oxidized flavodoxin from Bacillus cereus.
Protein Sci., 27, 2018
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3RQ6
 | | Crystal Structure of ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Bacillus subtilis soaked with ADP-ribose | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, ADP/ATP-dependent NAD(P)H-hydrate dehydratase, MAGNESIUM ION | | Authors: | Shumilin, I.A, Cymborowski, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2011-04-27 | | Release date: | 2011-07-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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6CED
 | | Crystal structure of fragment 3-(3-Methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | Descriptor: | 3-(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | Authors: | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-02-11 | | Release date: | 2018-02-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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5G6T
 | | Crystal structure of Zn-containing NagZ H174A mutant from Pseudomonas aeruginosa | | Descriptor: | BETA-HEXOSAMINIDASE, DI(HYDROXYETHYL)ETHER, ZINC ION | | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | | Deposit date: | 2016-07-15 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
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3RAD
 | | Quinolone(Clinafloxacin)-DNA cleavage complex of type IV topoisomerase from S. pneumoniae | | Descriptor: | 5'-D(*CP*AP*TP*GP*AP*AP*T)-3', 5'-D(*CP*GP*TP*GP*CP*AP*T)-3', 5'-D(P*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*G)-3', ... | | Authors: | Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2011-03-28 | | Release date: | 2012-04-25 | | Last modified: | 2018-10-03 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Exploring the active site of the Streptococcus pneumoniae topoisomerase IV-DNA cleavage complex with novel 7,8-bridged fluoroquinolones.
Open Biol, 6, 2016
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6CMH
 | | SYNTHETIC LINEAR MODIFIED ENDOTHELIN-1 AGONIST | | Descriptor: | PROTEIN (ENDOTHELIN-1) | | Authors: | Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H. | | Deposit date: | 1998-09-03 | | Release date: | 1999-09-29 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling.
J.Pept.Res., 53, 1999
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5G5U
 | | Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa | | Descriptor: | BETA-HEXOSAMINIDASE | | Authors: | Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A. | | Deposit date: | 2016-06-05 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
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3RTA
 | | Crystal structure of tm0922, a fusion of a domain of unknown function and ADP/ATP-dependent NAD(P)H-hydrate dehydratase from Thermotoga maritima soaked with Acetyl Coenzyme A | | Descriptor: | ACETYL COENZYME *A, POTASSIUM ION, Putative uncharacterized protein, ... | | Authors: | Shumilin, I.A, Cymborowski, M, Lesley, S.A, Minor, W. | | Deposit date: | 2011-05-03 | | Release date: | 2011-06-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification of unknown protein function using metabolite cocktail screening.
Structure, 20, 2012
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2O3V
 | | Crystal Structure of the Homo sapiens Cytoplasmic Ribosomal Decoding Site complexed with paromamine derivative NB33 | | Descriptor: | (2S,3R,4R,5S,6R)-3-AMINO-4-({[(2S,3R,4R,5S,6R)-3-AMINO-2-{[(1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYL]OXY}-5-HYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-4-YL]OXY}METHOXY)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2,5-DIOL, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*UP*CP*CP*GP*GP*AP*AP*AP*AP*GP*UP*CP*GP*C)-3') | | Authors: | Kondo, J, Hainrichson, M, Nudelman, I, Shallom-Shezifi, D, Baasov, T, Westhof, E. | | Deposit date: | 2006-12-02 | | Release date: | 2007-11-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Differential Selectivity of Natural and Synthetic Aminoglycosides towards the Eukaryotic and Prokaryotic Decoding A Sites.
Chembiochem, 8, 2007
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2O34
 | | Crystal structure of protein DVU1097 from Desulfovibrio vulgaris Hildenborough, Pfam DUF375 | | Descriptor: | Hypothetical protein, SODIUM ION | | Authors: | Malashkevich, V.N, Toro, R, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-11-30 | | Release date: | 2006-12-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of the Hypothetical Protein from Desulfovibrio vulgaris Hildenborough
To be Published
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1RBN
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6BK3
 | | Crystal structure of Os79 from O. sativa in complex with UDP and deoxynivalenol-3-glucoside (glucose moitey not resolved) | | Descriptor: | (3alpha,7alpha)-3,7,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one, UDP-glycosyltransferase 79, URIDINE-5'-DIPHOSPHATE | | Authors: | Wetterhorn, K, Gabardi, K, Rayment, I. | | Deposit date: | 2017-11-07 | | Release date: | 2017-11-29 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Determinants and Expansion of Specificity in a Trichothecene UDP-Glucosyltransferase from Oryza sativa.
Biochemistry, 56, 2017
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5G1L
 | | A double mutant of DsbG engineered for denitrosylation | | Descriptor: | SULFATE ION, THIOL DISULFIDE INTERCHANGE PROTEIN DSBG | | Authors: | Tamu Dufe, V, Van Molle, I, Lafaye, C, Wahni, K, Boudier, A, Leroy, P, Collet, J.F, Messens, J. | | Deposit date: | 2016-03-28 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Sulfur Denitrosylation by an Engineered Trx-Like Dsbg Enzyme Identifies Nucleophilic Cysteine Hydrogen Bonds as Key Functional Determinant.
J.Biol.Chem., 291, 2016
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5PEP
 | | X-RAY ANALYSES OF ASPARTIC PROTEASES. II. THREE-DIMENSIONAL STRUCTURE OF THE HEXAGONAL CRYSTAL FORM OF PORCINE PEPSIN AT 2.3 ANGSTROMS RESOLUTION | | Descriptor: | PEPSIN | | Authors: | Cooper, J.B, Khan, G, Taylor, G, Tickle, I.J, Blundell, T.L. | | Deposit date: | 1990-05-30 | | Release date: | 1990-07-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | X-ray analyses of aspartic proteinases. II. Three-dimensional structure of the hexagonal crystal form of porcine pepsin at 2.3 A resolution.
J.Mol.Biol., 214, 1990
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1V6Y
 | | Crystal Structure Of chimeric Xylanase between Streptomyces Olivaceoviridis E-86 FXYN and Cellulomonas fimi Cex | | Descriptor: | Beta-xylanase,Exoglucanase/xylanase | | Authors: | Kaneko, S, Ichinose, H, Fujimoto, Z, Kuno, A, Yura, K, Go, M, Mizuno, H, Kusakabe, I, Kobayashi, H. | | Deposit date: | 2003-12-04 | | Release date: | 2004-09-07 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and function of a family 10 beta-xylanase chimera of Streptomyces olivaceoviridis E-86 FXYN and Cellulomonas fimi Cex
J.Biol.Chem., 279, 2004
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1V75
 | | Crystal structure of hemoglobin D from the Aldabra giant tortoise (Geochelone gigantea) at 2.0 A resolution | | Descriptor: | Hemoglobin A and D beta chain, Hemoglobin D alpha chain, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kuwada, T, Hasegawa, T, Satoh, I, Ishikawa, K, Shishikura, F. | | Deposit date: | 2003-12-12 | | Release date: | 2003-12-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Crystallization and preliminary X-ray diffraction study of hemoglobin D from the Aldabra giant tortoise, Geochelone gigantea.
Protein Pept.Lett., 10, 2003
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6BK1
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1VAZ
 | | Solution structures of the p47 SEP domain | | Descriptor: | NSFL1 cofactor p47 | | Authors: | Yuan, X, Simpson, P, Mckeown, C, Kondo, H, Uchiyama, K, Wallis, R, Dreveny, I, Keetch, C, Zhang, X, Robinson, C, Freemont, P, Matthews, S. | | Deposit date: | 2004-02-20 | | Release date: | 2004-04-06 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structure, dynamics and interactions of p47, a major adaptor of the AAA ATPase, p97.
Embo J., 23, 2004
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4RMG
 | | Human Sirt2 in complex with SirReal2 and NAD+ | | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | Deposit date: | 2014-10-21 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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2PGL
 | | Catalysis associated conformational changes revealed by human CD38 complexed with a non-hydrolyzable substrate analog | | Descriptor: | ADP-ribosyl cyclase 1, N1-CYCLIC INOSINE 5'-DIPHOSPHORIBOSE | | Authors: | Liu, Q, Kriksunov, I.A, Moreau, C, Graeff, R, Potter, B.V.L, Lee, H.C, Hao, Q. | | Deposit date: | 2007-04-09 | | Release date: | 2007-04-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Catalysis-associated Conformational Changes Revealed by Human CD38 Complexed with a Non-hydrolyzable Substrate Analog
J.Biol.Chem., 282, 2007
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