4WMK
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4JU1
| Crystal structure of hcv ns5b polymerase in complex with compound 6 | Descriptor: | 6-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-(trifluoromethyl)phenoxy]-1-(2,4,6-trifluorobenzyl)quinazolin-4(1H)-one, GLYCEROL, Genome polyprotein, ... | Authors: | Coulombe, R. | Deposit date: | 2013-03-24 | Release date: | 2013-07-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular Dynamics Simulations and Structure-Based Rational Design Lead to Allosteric HCV NS5B Polymerase Thumb Pocket 2 Inhibitor with Picomolar Cellular Replicon Potency. J.Med.Chem., 57, 2014
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5XGL
| Co-crystal structure of Ac-AChBPP in complex with alpha-conotoxin LvIA | Descriptor: | Alpha-conotoxin LvIA, Soluble acetylcholine receptor | Authors: | Wang, X.Q, Xu, M.Y, Luo, S.L, Zhu, X.P. | Deposit date: | 2017-04-14 | Release date: | 2018-06-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.439 Å) | Cite: | The crystal structure of Ac-AChBP in complex with alpha-conotoxin LvIA reveals the mechanism of its selectivity towards different nAChR subtypes Protein Cell, 8, 2017
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1QR6
| HUMAN MITOCHONDRIAL NAD(P)-DEPENDENT MALIC ENZYME | Descriptor: | MALIC ENZYME 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Xu, Y, Bhargava, G, Wu, H, Loeber, G, Tong, L. | Deposit date: | 1999-06-18 | Release date: | 1999-07-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of human mitochondrial NAD(P)(+)-dependent malic enzyme: a new class of oxidative decarboxylases. Structure, 7, 1999
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8GSS
| Human glutathione S-transferase P1-1, complex with glutathione | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE, GLUTATHIONE S-TRANSFERASE P1-1, ... | Authors: | Oakley, A, Parker, M. | Deposit date: | 1997-08-14 | Release date: | 1998-09-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structures of human glutathione transferase P1-1 in complex with glutathione and various inhibitors at high resolution. J.Mol.Biol., 274, 1997
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3FXX
| Human EphA3 Kinase and Juxtamembrane Region Bound to Substrate KQWDNYE[pTyr]IW | Descriptor: | Ephrin type-A receptor 3, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Davis, T, Walker, J.R, Mackenzie, F, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-01-21 | Release date: | 2009-02-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural recognition of an optimized substrate for the ephrin family of receptor tyrosine kinases. Febs J., 276, 2009
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3GI6
| Crystal structure of protease inhibitor, AD78 in complex with wild type HIV-1 protease | Descriptor: | (5S)-N-[(1S,2R)-2-Hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-2-oxo-3-[3-(trif luoromethyl)phenyl]-5-oxazolidinecarboxamide, PHOSPHATE ION, Protease | Authors: | Nalam, M.N.L, Schiffer, C.A. | Deposit date: | 2009-03-05 | Release date: | 2010-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Evaluating the substrate-envelope hypothesis: structural analysis of novel HIV-1 protease inhibitors designed to be robust against drug resistance. J.Virol., 84, 2010
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5X7R
| Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with isomaltohexaose | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K. | Deposit date: | 2017-02-27 | Release date: | 2017-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch Biochem. J., 474, 2017
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8AGA
| Structure of p-hydroxy benzoic acid ligand bound HosA transcriptional regulator from enteropathogenic Escherichia coli O127:H6 (strain E2348/69) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, P-HYDROXYBENZOIC ACID, ... | Authors: | Goswami, A, Kannika, B.R, Madan Kumar, S. | Deposit date: | 2022-07-19 | Release date: | 2023-08-02 | Last modified: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Horizontally acquired HosA transcription factor bound with 4-hydroxy-benzoic acid exhibits unique tug-of-water dynamics Biorxiv, 2024
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5N6F
| Crystal structure of TGT in complex with guanine fragment | Descriptor: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GUANINE, ... | Authors: | Hassaan, E, Heine, A, Klebe, G. | Deposit date: | 2017-02-15 | Release date: | 2018-03-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.11909521 Å) | Cite: | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies. Chemmedchem, 15, 2020
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2VWQ
| Haloferax mediterranei glucose dehydrogenase in complex with NADP and Zn. | Descriptor: | GLUCOSE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION | Authors: | Baker, P.J, Britton, K.L, Fisher, M, Esclapez, J, Pire, C, Bonete, M.J, Ferrer, J, Rice, D.W. | Deposit date: | 2008-06-26 | Release date: | 2009-01-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Active site dynamics in the zinc-dependent medium chain alcohol dehydrogenase superfamily. Proc. Natl. Acad. Sci. U.S.A., 106, 2009
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1FS6
| GLUCOSAMINE-6-PHOSPHATE DEAMINASE FROM E.COLI, T CONFORMER, AT 2.2A RESOLUTION | Descriptor: | GLUCOSAMINE-6-PHOSPHATE DEAMINASE | Authors: | Rudino-Pinera, E, Morales-Arrieta, S, Rojas-Trejo, S.P, Horjales, E. | Deposit date: | 2000-09-08 | Release date: | 2002-01-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural flexibility, an essential component of the allosteric activation in Escherichia coli glucosamine-6-phosphate deaminase. Acta Crystallogr.,Sect.D, 58, 2002
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4K88
| Crystal structure of human prolyl-tRNA synthetase (halofuginone bound form) | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, Proline--tRNA ligase, ZINC ION | Authors: | Hwang, K.Y, Son, J.H, Lee, E.H. | Deposit date: | 2013-04-18 | Release date: | 2013-10-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.619 Å) | Cite: | Conformational changes in human prolyl-tRNA synthetase upon binding of the substrates proline and ATP and the inhibitor halofuginone. Acta Crystallogr.,Sect.D, 69, 2013
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3HPT
| Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine | Descriptor: | 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | Authors: | Klei, H.E, Ghosh, K, Rushith, A, Kish, K. | Deposit date: | 2009-06-04 | Release date: | 2009-11-17 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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7AQ1
| Crystal structure of human mature meprin beta in complex with the specific inhibitor MWT-S-270 | 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: | Linnert, M, Parthier, C, Fritz, C. | Deposit date: | 2020-10-20 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.413 Å) | Cite: | Structure and Dynamics of Meprin beta in Complex with a Hydroxamate-Based Inhibitor. Int J Mol Sci, 22, 2021
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1R5Y
| Crystal Structure of TGT in complex with 2,6-Diamino-3H-Quinazolin-4-one Crystallized at PH 5.5 | Descriptor: | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE, Queuine tRNA-ribosyltransferase, ZINC ION | Authors: | Brenk, R, Meyer, E, Reuter, K, Garcia, G.A, Stubbs, M.T, Klebe, G. | Deposit date: | 2003-10-13 | Release date: | 2004-04-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystallographic Study of Inhibitors of tRNA-guanine Transglycosylase Suggests a New Structure-based Pharmacophore for Virtual Screening. J.Mol.Biol., 338, 2004
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2P72
| crystal structure of a glycosyltransferase involved in the glycosylation of the major capsid of PBCV-1 | Descriptor: | MANGANESE (II) ION, Putative glycosyltransferase (Mannosyltransferase) involved in glycosylating the PBCV-1 major capsid protein, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Zhang, Y, Xiang, Y, Van Etten, J.L, Rossmann, M.G. | Deposit date: | 2007-03-19 | Release date: | 2007-08-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and function of a chlorella virus-encoded glycosyltransferase. Structure, 15, 2007
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2P8M
| Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELLELDKWASLWN in new crystal form | Descriptor: | gp41 peptide, nmAb 2F5, heavy chain, ... | Authors: | Julien, J.P, Bryson, S, Pai, E.F. | Deposit date: | 2007-03-22 | Release date: | 2007-05-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site. J.Mol.Biol., 384, 2008
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5X7P
| Crystal structure of Paenibacillus sp. 598K alpha-1,6-glucosyltransferase complexed with acarbose | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Fujimoto, Z, Kishine, N, Suzuki, N, Momma, M, Ichinose, H, Kimura, A, Funane, K. | Deposit date: | 2017-02-27 | Release date: | 2017-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Carbohydrate-binding architecture of the multi-modular alpha-1,6-glucosyltransferase from Paenibacillus sp. 598K, which produces alpha-1,6-glucosyl-alpha-glucosaccharides from starch Biochem. J., 474, 2017
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4YTR
| Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with 1-deoxy L-tagatose | Descriptor: | 1-deoxy-L-tagatose, 1-deoxy-beta-L-tagatopyranose, D-tagatose 3-epimerase, ... | Authors: | Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S. | Deposit date: | 2015-03-18 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates Appl. Microbiol. Biotechnol., 100, 2016
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8DZN
| Crystal structure of human Sar1a in complex with GDP | Descriptor: | GTP-binding protein SAR1a, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION | Authors: | Huang, Q. | Deposit date: | 2022-08-08 | Release date: | 2023-08-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.107 Å) | Cite: | The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1. Proteins, 91, 2023
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1L1F
| Structure of human glutamate dehydrogenase-apo form | Descriptor: | Glutamate Dehydrogenase 1 | Authors: | Smith, T.J, Schmidt, T, Fang, J, Wu, J, Siuzdak, G, Stanley, C.A. | Deposit date: | 2002-02-15 | Release date: | 2002-03-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The structure of apo human glutamate dehydrogenase details subunit communication and allostery. J.Mol.Biol., 318, 2002
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7NBW
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4YTQ
| Crystal structure of D-tagatose 3-epimerase C66S from Pseudomonas cichorii in complex with 1-deoxy D-tagatose | Descriptor: | 1-deoxy-D-tagatose, 1-deoxy-alpha-D-tagatopyranose, D-tagatose 3-epimerase, ... | Authors: | Yoshida, H, Yoshihara, A, Ishii, T, Izumori, K, Kamitori, S. | Deposit date: | 2015-03-18 | Release date: | 2016-03-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates Appl. Microbiol. Biotechnol., 100, 2016
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4YW5
| Crystal Structure of Streptococcus pneumoniae NanC, complex with oseltamivir carboxylate | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 1,2-ETHANEDIOL, GLYCEROL, ... | Authors: | Owen, C.D, Lukacik, P, Potter, J.A, Walsh, M, Taylor, G.L. | Deposit date: | 2015-03-20 | Release date: | 2015-09-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR. J.Biol.Chem., 290, 2015
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