3V9G
 
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3VT7
 | | Crystal structures of rat VDR-LBD with W282R mutation | | Descriptor: | 5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL, COACTIVATOR PEPTIDE DRIP, Vitamin D3 receptor | | Authors: | Nakabayashi, M, Shimizu, M, Ikura, T, Ito, N. | | Deposit date: | 2012-05-19 | | Release date: | 2013-05-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structures of hereditary vitamin D-resistant rickets-associated vitamin D receptor mutants R270L and W282R bound to 1,25-dihydroxyvitamin D3 and synthetic ligands.
J.Med.Chem., 56, 2013
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2PG5
 | | Crystal Structure of Human Microsomal P450 2A6 N297Q | | Descriptor: | 1,2-ETHANEDIOL, Cytochrome P450 2A6, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sansen, S, Hsu, M.H, Stout, C.D, Johnson, E.F. | | Deposit date: | 2007-04-06 | | Release date: | 2007-07-24 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural insight into the altered substrate specificity of human cytochrome P450 2A6 mutants.
Arch.Biochem.Biophys., 464, 2007
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4LPC
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4GM7
 | | Structure of cinnamic acid bound bovine lactoperoxidase at 2.6A resolution. | | 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: | Pandey, N, Singh, A.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-08-15 | | Release date: | 2012-09-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of cinnamic acid bound bovine lactoperoxidase at 2.6A resolution
To be Published
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3S0Z
 | | Crystal structure of New Delhi Metallo-beta-lactamase (NDM-1) | | Descriptor: | Metallo-beta-lactamase, ZINC ION | | Authors: | Guo, Y, Wang, J, Niu, G.J, Shui, W.Q, Sun, Y.N, Lou, Z.Y, Rao, Z.H. | | Deposit date: | 2011-05-13 | | Release date: | 2011-06-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A structural view of the antibiotic degradation enzyme NDM-1 from a superbug.
Protein Cell, 2011
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7D3E
 | | Cryo-EM structure of human DUOX1-DUOXA1 in low-calcium state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dual oxidase 1, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Chen, L, Wu, J.X. | | Deposit date: | 2020-09-19 | | Release date: | 2020-12-09 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structures of human dual oxidase 1 complex in low-calcium and high-calcium states.
Nat Commun, 12, 2021
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1SY7
 | | Crystal structure of the catalase-1 from Neurospora crassa, native structure at 1.75A resolution. | | Descriptor: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase 1, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Diaz, A, Horjales, E, Rudino-Pinera, E, Arreola, R, Hansberg, W. | | Deposit date: | 2004-04-01 | | Release date: | 2004-10-12 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Unusual Cys-Tyr covalent bond in a large catalase
J.Mol.Biol., 342, 2004
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1XIV
 | | Plasmodium falciparum lactate dehydrogenase complexed with 2-({4-chloro-[hydroxy(methoxy)methyl]cyclohexyl}amino)ethane-1,1,2-triol | | Descriptor: | 2-({4-CHLORO-2-[HYDROXY(METHOXY)METHYL]CYCLOHEXYL}AMINO)ETHANE-1,1,2-TRIOL, GLYCEROL, L-lactate dehydrogenase | | Authors: | Conners, R, Cameron, A, Read, J.A, Schambach, F, Sessions, R.B, Brady, R.L. | | Deposit date: | 2004-09-22 | | Release date: | 2005-06-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mapping the binding site for gossypol-like inhibitors of Plasmodium
falciparum lactate dehydrogenase
MOL.BIOCHEM.PARASITOL., 142, 2005
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2MTM
 | | NMR structure of RCB-1 peptide | | Descriptor: | Putative uncharacterized protein | | Authors: | Boldbaatar, D, Elseedi, H.R. | | Deposit date: | 2014-08-21 | | Release date: | 2015-09-02 | | Last modified: | 2024-11-06 | | Method: | SOLUTION NMR | | Cite: | Synthesis, Structural Characterization, and Bioactivity of the Stable Peptide RCB-1 from Ricinus communis.
J Nat Prod, 78, 2015
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4G28
 | | Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and EBIO-1 | | Descriptor: | 1-ethyl-1,3-dihydro-2H-benzimidazol-2-one, CALCIUM ION, Calmodulin, ... | | Authors: | Zhang, M, Pascal, J.M, Zhang, J.-F. | | Deposit date: | 2012-07-11 | | Release date: | 2012-09-12 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Identification of the functional binding pocket for compounds targeting small-conductance Ca(2+)-activated potassium channels.
Nat Commun, 3, 2012
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1YNU
 | | Crystal structure of apple ACC synthase in complex with L-vinylglycine | | Descriptor: | 1-aminocyclopropane-1-carboxylate synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[O-PHOSPHONOPYRIDOXYL]-AMINO- BUTYRIC ACID, ... | | Authors: | Capitani, G, Tschopp, M, Eliot, A.C, Kirsch, J.F, Grutter, M.G. | | Deposit date: | 2005-01-25 | | Release date: | 2005-05-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of ACC synthase inactivated by the mechanism-based inhibitor L-vinylglycine.
Febs Lett., 579, 2005
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4G8V
 | | Crystal structure of Ribonuclease A in complex with 5a | | Descriptor: | 1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine, Ribonuclease pancreatic | | Authors: | Chatzileontiadou, D.S.M, Kantsadi, A.L, Leonidas, D.D. | | Deposit date: | 2012-07-23 | | Release date: | 2012-11-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Triazole pyrimidine nucleosides as inhibitors of Ribonuclease A. Synthesis, biochemical, and structural evaluation.
Bioorg.Med.Chem., 20, 2012
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1C5I
 | | HYDROGEN BONDING AND CATALYSIS: AN UNEXPECTED EXPLANATION FOR HOW A SINGLE AMINO ACID SUBSTITUTION CAN CHANGE THE PH OPTIMUM OF A GLYCOSIDASE | | Descriptor: | ENDO-1,4-BETA-XYLANASE, beta-D-xylopyranose-(1-4)-1,5-anhydro-2-deoxy-2-fluoro-D-xylitol | | Authors: | Joshi, M.D, Sidhu, G, Pot, I, Brayer, G.D, Withers, S.G, Mcintosh, L.P. | | Deposit date: | 1999-11-24 | | Release date: | 2000-05-12 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Hydrogen bonding and catalysis: a novel explanation for how a single amino acid substitution can change the pH optimum of a glycosidase.
J.Mol.Biol., 299, 2000
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4IS0
 | | Structural Insights into Omega-Class Glutathione Transferases: A Snapshot of Enzyme Reduction and Identification of the Non-Catalytic Ligandin Site. | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Glutathione S-transferase omega-1, L-gamma-glutamyl-S-[2-(4-nitrophenyl)-2-oxoethyl]-L-cysteinylglycine, ... | | Authors: | Brock, J, Oakley, A.J. | | Deposit date: | 2013-01-15 | | Release date: | 2013-04-24 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.721 Å) | | Cite: | Structural insights into omega-class glutathione transferases: a snapshot of enzyme reduction and identification of a non-catalytic ligandin site.
Plos One, 8, 2013
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4L6V
 | | Crystal structure of a virus like photosystem I from the cyanobacterium Synechocystis PCC 6803 | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ... | | Authors: | Mazor, Y, Nataf, D, Toporik, H, Nelson, N. | | Deposit date: | 2013-06-13 | | Release date: | 2014-02-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Crystal structures of virus-like photosystem I complexes from the mesophilic cyanobacterium Synechocystis PCC 6803.
Elife, 3, 2014
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2BEL
 | | Structure of human 11-beta-hydroxysteroid dehydrogenase in complex with NADP and carbenoxolone | | Descriptor: | CARBENOXOLONE, CHLORIDE ION, CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1, ... | | Authors: | Kavanagh, K, Wu, X, Svensson, S, Elleby, B, von Delft, F, Debreczeni, J.E, Sharma, S, Bray, J, Edwards, A, Arrowsmith, C, Sundstrom, M, Abrahmsen, L, Oppermann, U. | | Deposit date: | 2004-11-25 | | Release date: | 2004-12-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The High Resolution Structures of Human, Murine and Guinea Pig 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Reveal Critical Differences in Active Site Architecture
To be Published
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2C2S
 | | Human Dihydrofolate Reductase Complexed With NADPH and 2,4-Diamino-5-(1-o-carboranylmethyl)-6-methylpyrimidine, A novel boron containing, nonclassical Antifolate | | Descriptor: | 2,4-DIAMINO-5-(1-O-CARBORANYLMETHYL)-6-METHYLPYRIMIDINE, DIHYDROFOLATE REDUCTASE, GLYCEROL, ... | | Authors: | Leung, A.K.W, Reynolds, R.C, Riordan, J.M, Borhani, D.W. | | Deposit date: | 2005-09-29 | | Release date: | 2007-04-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Novel Boron-Containing, Nonclassical Antifolates: Synthesis and Preliminary Biological and Structural Evaluation.
J.Med.Chem., 50, 2007
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3PDJ
 | | Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase 1 (11b-HSD1) in Complex with 4,4-Disubstituted Cyclohexylbenzamide Inhibitor | | Descriptor: | Corticosteroid 11-beta-dehydrogenase isozyme 1, N-[trans-4-(3-amino-3-oxopropyl)-4-phenylcyclohexyl]-N-cyclopropyl-4-[(1S)-2,2,2-trifluoro-1-hydroxy-1-methylethyl]benzamide, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Wang, Z, Sudom, A, Walker, N.P. | | Deposit date: | 2010-10-22 | | Release date: | 2011-10-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and Optimization of Novel 4,4-Disubstituted Cyclohexylbenzamide Derivatives as Potent 11beta-HSD1 Inhibitors
Bioorg.Med.Chem.Lett., 21, 2011
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2DUX
 | | Crystal structure of human Aldose Reductase complexed with zopolrestat after 3 days soaking (3days_soaked_1) | | Descriptor: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Steuber, H, Heine, A, Klebe, G. | | Deposit date: | 2006-07-27 | | Release date: | 2006-10-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Expect the Unexpected or Caveat for Drug Designers: Multiple Structure Determinations Using Aldose Reductase Crystals Treated under Varying Soaking and Co-crystallisation Conditions
J.Mol.Biol., 363, 2006
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4DZ5
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2ALX
 | | Ribonucleotide Reductase R2 from Escherichia coli in space group P6(1)22 | | Descriptor: | MANGANESE (II) ION, MERCURY (II) ION, Ribonucleoside-diphosphate reductase 1 | | Authors: | Sommerhalter, M, Saleh, L, Bollinger Jr, J.M, Rosenzweig, A.C. | | Deposit date: | 2005-08-08 | | Release date: | 2005-11-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of Escherichia coli ribonucleotide reductase R2 in space group P6122.
Acta Crystallogr.,Sect.D, 61, 2005
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4BO6
 | | Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2,3-dihydroindol-1-yl-(2- thiophen-3-yl-1,3-thiazol-4-yl)methanone at 2.8A resolution | | Descriptor: | 2,3-dihydroindol-1-yl-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG | | Authors: | Cukier, C.D, Schnell, R, Lindqvist, Y, Schneider, G. | | Deposit date: | 2013-05-18 | | Release date: | 2013-09-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of an Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase from Pseudomonas Aeruginosa
Acs Chem.Biol., 8, 2013
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2G7C
 | | Clostridium difficile Toxin A Fragment Bound to aGal(1,3)bGal(1,4)bGlcNAc | | Descriptor: | GLYCEROL, Toxin A, alpha-D-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Greco, A, Ho, J.G.S, Lin, S.J, Palcic, M.M, Rupnik, M, Ng, K.K.S. | | Deposit date: | 2006-02-28 | | Release date: | 2006-04-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Carbohydrate recognition by Clostridium difficile toxin A.
Nat.Struct.Mol.Biol., 13, 2006
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1GHR
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