5OMF
 
 | | Closed, ternary structure of KOD DNA polymerase | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, DNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*CP*AP*C)-3'), ... | | Authors: | Kropp, H.M, Betz, K, Wirth, J, Diederichs, K, Marx, A. | | Deposit date: | 2017-07-31 | | Release date: | 2017-12-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.092 Å) | | Cite: | Crystal structures of ternary complexes of archaeal B-family DNA polymerases.
PLoS ONE, 12, 2017
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4D0R
 | | Mtb InhA complex with Pyradizinone compound 1 | | Descriptor: | 4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Lange, S. | | Deposit date: | 2014-04-29 | | Release date: | 2015-05-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Pyridazinones: A Novel Scaffold with Excellent Physicochemical Properties and Safety Profile for a Clinically Validated Target of Mycobacterium Tuberculosis
To be Published
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1PU8
 | | Crystal structure of H.pylori 3-methyladenine DNA glycosylase (MagIII) bound to 1,N6-ethenoadenine | | Descriptor: | 3-METHYLADENINE DNA GLYCOSYLASE, 3H-IMIDAZO[2,1-I]PURINE, BETA-MERCAPTOETHANOL | | Authors: | Eichman, B.F, O'Rourke, E.J, Radicella, J.P, Ellenberger, T. | | Deposit date: | 2003-06-24 | | Release date: | 2003-10-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystal structures of 3-methyladenine DNA glycosylase MagIII and the recognition of alkylated bases
Embo J., 22, 2003
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4QR6
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3TB2
 | | 1-Cys peroxidoxin from Plasmodium Yoelli | | Descriptor: | 1,2-ETHANEDIOL, 1-Cys peroxiredoxin, GLYCEROL, ... | | Authors: | Qiu, W, Artz, J.D, Vedadi, M, Sharma, S, Houston, S, Lew, J, Wasney, G, Amani, M, Xu, X, Bray, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Hui, R, Bochkarev, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-08-04 | | Release date: | 2011-10-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
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3TFN
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4J1N
 | | Crystal structures of FabI from F. tularensis in complex with novel inhibitors based on the benzimidazole scaffold | | Descriptor: | 1-(4-methoxy-3-methylbenzyl)-1,5,6,7-tetrahydroindeno[5,6-d]imidazole, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ... | | Authors: | Mehboob, S, Boci, T, Brubaker, L, Santarsiero, B.D, Johnson, M.E. | | Deposit date: | 2013-02-01 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural and biological evaluation of a novel series of benzimidazole inhibitors of Francisella tularensis enoyl-ACP reductase (FabI).
Bioorg.Med.Chem.Lett., 25, 2015
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5U3J
 | | Crystal Structure of DH511.1 Fab in Complex with HIV-1 gp41 MPER Peptide | | Descriptor: | DH511.1 Heavy Chain, DH511.1 Light Chain, gp41 MPER peptide | | Authors: | Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. | | Deposit date: | 2016-12-02 | | Release date: | 2017-02-15 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
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2WWC
 | | 3D-structure of the modular autolysin LytC from Streptococcus pneumoniae in complex with synthetic peptidoglycan ligand | | Descriptor: | 1,4-BETA-N-ACETYLMURAMIDASE, CHOLINE ION, GLYCEROL | | Authors: | Perez-Dorado, I, Sanles, R, Hermoso, J.A, Gonzalez, A, Garcia, A, Garcia, P, Garcia, J.L. | | Deposit date: | 2009-10-22 | | Release date: | 2010-04-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Insights Into Pneumococcal Fratricide from the Crystal Structures of the Modular Killing Factor Lytc.
Nat.Struct.Mol.Biol., 17, 2010
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4IUO
 | | 1.8 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) K170M Mutant in Complex with Quinate | | Descriptor: | (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid, 3-dehydroquinate dehydratase | | Authors: | Light, S.H, Minasov, G, Duban, M.-E, Shuvalova, L, Kwon, K, Lavie, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-01-21 | | Release date: | 2013-01-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of type I dehydroquinate dehydratase in complex with quinate and shikimate suggest a novel mechanism of schiff base formation.
Biochemistry, 53, 2014
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5AC1
 | | Sheep aldehyde dehydrogenase 1A1 with duocarmycin analog inhibitor | | Descriptor: | 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one, MAGNESIUM ION, RETINAL DEHYDROGENASE 1, ... | | Authors: | Koch, M.F, Harteis, S, Blank, I.D, Pestel, G, Tietze, L.F, Ochsenfeld, C, Schneider, S, Sieber, S.A. | | Deposit date: | 2015-08-11 | | Release date: | 2015-08-26 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues.
Angew.Chem.Int.Ed.Engl., 54, 2015
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3TPN
 | | Crystal structure of M-PMV dUTPASE complexed with dUPNPP, substrate | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | | Authors: | Nemeth, V, Barabas, O, Vertessy, G.B. | | Deposit date: | 2011-09-08 | | Release date: | 2011-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Snapshots of Enzyme-Catalysed Phosphate Ester Hydrolysis Directly Visualize In-line Attack and Inversion
To be Published
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3PLR
 | | Crystal structure of Klebsiella pneumoniae UDP-glucose 6-dehydrogenase complexed with NADH and UDP-glucose | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, UDP-glucose 6-dehydrogenase, URIDINE-5'-MONOPHOSPHATE | | Authors: | Chen, Y.-Y, Ko, T.-P, Lin, C.-H, Chen, W.-H, Wang, A.H.-J. | | Deposit date: | 2010-11-15 | | Release date: | 2011-09-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Conformational change upon product binding to Klebsiella pneumoniae UDP-glucose dehydrogenase: a possible inhibition mechanism for the key enzyme in polymyxin resistance.
J.Struct.Biol., 175, 2011
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5EGH
 | | Structure of ENPP6, a choline-specific glycerophosphodiester-phosphodiesterase in complex with phosphocholine | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Morita, J, Kano, K, Kato, K, Takita, H, Ishitani, R, Nishimasu, H, Nureki, O, Aoki, J. | | Deposit date: | 2015-10-27 | | Release date: | 2016-03-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Structure and biological function of ENPP6, a choline-specific glycerophosphodiester-phosphodiesterase
Sci Rep, 6, 2016
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1KQF
 | | FORMATE DEHYDROGENASE N FROM E. COLI | | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, CARDIOLIPIN, FORMATE DEHYDROGENASE, ... | | Authors: | Jormakka, M, Tornroth, S, Byrne, B, Iwata, S. | | Deposit date: | 2002-01-05 | | Release date: | 2002-03-15 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Molecular basis of proton motive force generation: structure of formate dehydrogenase-N.
Science, 295, 2002
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4AJH
 | | rat LDHA in complex with N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido- propanamide and 2-(4-bromophenoxy)propanedioic acid | | Descriptor: | 2-(4-BROMANYLPHENOXY)PROPANEDIOIC ACID, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | | Authors: | Tucker, J.A, Brassington, C, Hassall, G, Watson, M, Ward, R, Tart, J, Davies, G, Greenwood, R, Pearson, S, Debreczeni, J. | | Deposit date: | 2012-02-16 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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4A16
 | | Structure of mouse Acetylcholinesterase complex with Huprine derivative | | Descriptor: | (1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, ... | | Authors: | Carletti, E, Colletier, J.P, Nachon, F, Weik, M, Ronco, C, Jean, L, Renard, P.Y. | | Deposit date: | 2011-09-14 | | Release date: | 2012-03-28 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Huprine Derivatives as Sub-Nanomolar Human Acetylcholinesterase Inhibitors: From Rational Design to Validation by X-Ray Crystallography.
Chemmedchem, 7, 2012
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2VNJ
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1YPF
 | | Crystal Structure of GuaC (BA5705) from Bacillus anthracis at 1.8 A Resolution | | Descriptor: | GMP reductase | | Authors: | Grenha, R, Levdikov, V.M, Blagova, E.V, Fogg, M.J, Brannigan, J.A, Wilkinson, A.J, Wilson, K.S, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2005-01-31 | | Release date: | 2006-02-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of GuaC (BA5705) from Bacillus anthracis at 1.8 A Resolution.
To be Published
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5OQF
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1HT8
 | | THE 2.7 ANGSTROM RESOLUTION MODEL OF OVINE COX-1 COMPLEXED WITH ALCLOFENAC | | Descriptor: | (3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, PROSTAGLANDIN H2 SYNTHASE-1, ... | | Authors: | Selinsky, B.S, Gupta, K, Sharkey, C.T, Loll, P.J. | | Deposit date: | 2000-12-29 | | Release date: | 2001-04-11 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations.
Biochemistry, 40, 2001
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3SR6
 | | Crystal Structure of Reduced Bovine Xanthine Oxidase in Complex with Arsenite | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHONIC ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER, ... | | Authors: | Cao, H, Hille, R. | | Deposit date: | 2011-07-07 | | Release date: | 2011-07-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-ray Crystal Structure of Arsenite-Inhibited Xanthine Oxidase: Mu-Sulfido,Mu-Oxo Double Bridge between Molybdenum and Arsenic in the Active Site.
J.Am.Chem.Soc., 133, 2011
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2J6L
 | | Structure of aminoadipate-semialdehyde dehydrogenase | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ALDEHYDE DEHYDROGENASE FAMILY 7 MEMBER A1, BROMIDE ION, ... | | Authors: | Bunkoczi, G, Guo, K, Debreczeni, J.E, Smee, C, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, von Delft, F, Oppermann, U. | | Deposit date: | 2006-09-29 | | Release date: | 2006-10-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Aldehyde Dehydrogenase 7A1 (Aldh7A1) is a Novel Enzyme Involved in Cellular Defense Against Hyperosmotic Stress.
J.Biol.Chem., 285, 2010
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7DR2
 | | Structure of GraFix PSI tetramer from Cyanophora paradoxa | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Kato, K, Nagao, R, Akita, F, Miyazaki, N, Shen, J.R. | | Deposit date: | 2020-12-25 | | Release date: | 2022-02-16 | | Last modified: | 2025-09-17 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural insights into an evolutionary turning-point of photosystem I from prokaryotes to eukaryotes
Biorxiv, 2022
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7DR0
 | | Structure of Wild-type PSI monomer1 from Cyanophora paradoxa | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Kato, K, Nagao, R, Akita, F, Miyazaki, N, Shen, J.R. | | Deposit date: | 2020-12-25 | | Release date: | 2022-02-16 | | Last modified: | 2025-09-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into an evolutionary turning-point of photosystem I from prokaryotes to eukaryotes
Biorxiv, 2022
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