1RE9
 
 | | CRYSTAL STRUCTURE OF CYTOCHROME P450-CAM WITH A FLUORESCENT PROBE D-8-AD (ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE) | | Descriptor: | 1,2-ETHANEDIOL, ADAMANTANE-1-CARBOXYLIC ACID-5-DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-OCTYL-AMIDE, Cytochrome P450-cam, ... | | Authors: | Hays, A.-M.A, Dunn, A.R, Gray, H.B, Stout, C.D, Goodin, D.B. | | Deposit date: | 2003-11-06 | | Release date: | 2004-11-16 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Conformational states of cytochrome P450cam revealed by trapping of synthetic molecular wires.
J.Mol.Biol., 344, 2004
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5WNZ
 | | DNA polymerase beta substrate complex with incoming 5-FodCTP | | Descriptor: | 2'-deoxy-5-formylcytidine 5'-(tetrahydrogen triphosphate), CALCIUM ION, CHLORIDE ION, ... | | Authors: | Schaich, M.A, Smith, M.R, Cloud, A.S, Holloran, S.M, Freudenthal, B.D. | | Deposit date: | 2017-08-01 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of a DNA Polymerase Inserting Therapeutic Nucleotide Analogues.
Chem. Res. Toxicol., 30, 2017
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2AHR
 | | Crystal Structures of 1-Pyrroline-5-Carboxylate Reductase from Human Pathogen Streptococcus pyogenes | | Descriptor: | FORMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SODIUM ION, ... | | Authors: | Nocek, B, Lezondra, L, Holzle, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-07-28 | | Release date: | 2005-09-13 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal Structures of Delta(1)-Pyrroline-5-carboxylate Reductase from Human Pathogens Neisseria meningitides and Streptococcus pyogenes
J.Mol.Biol., 354, 2005
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1RWK
 | | Crystal structure of human caspase-1 in complex with 3-(2-mercapto-acetylamino)-4-oxo-pentanoic acid | | Descriptor: | 3-(2-MERCAPTO-ACETYLAMINO)-4-OXO-PENTANOIC ACID, Interleukin-1 beta convertase | | Authors: | Romanowski, M.J, Lam, J.W, Fahr, B.T, O'Brien, T. | | Deposit date: | 2003-12-16 | | Release date: | 2004-12-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural analysis of caspase-1 inhibitors derived from Tethering.
Acta Crystallogr.,Sect.F, 61, 2005
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5L4U
 | | Crystal structure of FimH lectin domain in complex with 2-Fluoro-Heptylmannoside | | Descriptor: | Protein FimH, heptyl 2-fluoro-alpha-D-mannopyranoside | | Authors: | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | | Deposit date: | 2016-05-26 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
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5L4Y
 | | Crystal structure of FimH lectin domain in complex with 4-Fluoro-Heptylmannoside | | Descriptor: | Protein FimH, heptyl 4-deoxy-4-fluoro-alpha-D-mannopyranoside | | Authors: | Jakob, R.P, Zihlmann, P, Rabbani, S, Maier, T, Ernst, B. | | Deposit date: | 2016-05-26 | | Release date: | 2017-06-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | High-Affinity Carbohydrate-Lectin Interactions: How Nature Makes it Possible
To Be Published
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4ZS8
 | | Crystal structure of ligand-free, full length DasR | | Descriptor: | 1,2-ETHANEDIOL, HTH-type transcriptional repressor DasR | | Authors: | Fillenberg, S.B, Muller, Y.A. | | Deposit date: | 2015-05-13 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structures of the Global Regulator DasR from Streptomyces coelicolor: Implications for the Allosteric Regulation of GntR/HutC Repressors.
Plos One, 11, 2016
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4ZZX
 | | Structure of PARP2 catalytic domain bound to an isoindolinone inhibitor | | Descriptor: | 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, POLY [ADP-RIBOSE] POLYMERASE 2 | | Authors: | Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A. | | Deposit date: | 2015-04-15 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy.
J.Med.Chem., 58, 2015
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2YXH
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1R42
 | | Native Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ZINC ION, ... | | Authors: | Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W. | | Deposit date: | 2003-10-07 | | Release date: | 2004-02-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis.
J.Biol.Chem., 279, 2004
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4ZYK
 | | Crystal Structure of Quaternary-Specific RSV-Neutralizing Human Antibody AM14 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, AM14 Fab heavy chain, ... | | Authors: | Gilman, M.S.A, McLellan, J.S. | | Deposit date: | 2015-05-21 | | Release date: | 2015-07-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterization of a Prefusion-Specific Antibody That Recognizes a Quaternary, Cleavage-Dependent Epitope on the RSV Fusion Glycoprotein.
Plos Pathog., 11, 2015
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5WGP
 | | Human Carbonic Anhydrase IX-mimic complexed with AceK | | Descriptor: | Acesulfame, Carbonic anhydrase 2, ZINC ION | | Authors: | Murray, A.B, Lomelino, C.L, Supuran, C.T, McKenna, R. | | Deposit date: | 2017-07-14 | | Release date: | 2018-02-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | "Seriously Sweet": Acesulfame K Exhibits Selective Inhibition Using Alternative Binding Modes in Carbonic Anhydrase Isoforms.
J. Med. Chem., 61, 2018
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8SDF
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4WE3
 | | STRUCTURE OF THE BINARY COMPLEX OF A ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE IN COMPLEX WITH NADP MONOCLINIC CRYSTAL FORM | | Descriptor: | Double Bond Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Collery, J, Langlois d'Estaintot, B, Buratto, J, Granier, T, Gallois, B, Willis, M.A, Sang, Y, Flores-Sanchez, I.J, Gang, D.R. | | Deposit date: | 2014-09-09 | | Release date: | 2015-09-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | STRUCTURE OF ZINGIBER OFFICINALE DOUBLE BOND REDUCTASE
to be published
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2AHG
 | | Unsaturated glucuronyl hydrolase mutant D88N with dGlcA-GalNAc | | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, unsaturated glucuronyl hydrolase | | Authors: | Itoh, T, Hashimoto, W, Mikami, B, Murata, K. | | Deposit date: | 2005-07-28 | | Release date: | 2006-08-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of Unsaturated Glucuronyl Hydrolase Complexed with Substrate: MOLECULAR INSIGHTS INTO ITS CATALYTIC REACTION MECHANISM
J.Biol.Chem., 281, 2006
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2ATW
 | | Structure of a Mycobacterium tuberculosis NusA-RNA complex | | Descriptor: | Transcription elongation protein nusA, ribosomal RNA (5'- AGAACUCAAUAG -3') | | Authors: | Beuth, B, Pennell, S, Arnvig, K.B, Martin, S.R, Taylor, I.A. | | Deposit date: | 2005-08-26 | | Release date: | 2005-10-11 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of a Mycobacterium tuberculosis NusA-RNA complex.
Embo J., 24, 2005
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5A56
 | | The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with 1-O-methyl-T-antigen | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ... | | Authors: | Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2015-06-16 | | Release date: | 2015-09-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights into Its Mechanism.
J.Biol.Chem., 290, 2015
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5WA5
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor XMD11-50 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Bromodomain-containing protein 4 | | Authors: | Xu, X, Blacklow, S.C. | | Deposit date: | 2017-06-24 | | Release date: | 2018-07-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.172 Å) | | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains.
ACS Chem. Biol., 13, 2018
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1R4L
 | | Inhibitor Bound Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2) | | Descriptor: | (S,S)-2-{1-CARBOXY-2-[3-(3,5-DICHLORO-BENZYL)-3H-IMIDAZOL-4-YL]-ETHYLAMINO}-4-METHYL-PENTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W. | | Deposit date: | 2003-10-07 | | Release date: | 2004-02-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis.
J.Biol.Chem., 279, 2004
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6D79
 | | Structure of CysZ, a sulfate permease from Pseudomonas Fragi | | Descriptor: | Sulfate transporter CysZ | | Authors: | Sanghai, Z.A, Liu, Q, Clarke, O.B, Banerjee, S, Rajashankar, K.R, Hendrickson, W.A, Mancia, F. | | Deposit date: | 2018-04-24 | | Release date: | 2018-05-16 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (3.501 Å) | | Cite: | Structure-based analysis of CysZ-mediated cellular uptake of sulfate.
Elife, 7, 2018
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4B8P
 | | rImp_alpha_A89NLS | | Descriptor: | A89NLS, IMPORTIN SUBUNIT ALPHA-1A | | Authors: | Chang, C.-W, Counago, R.L.M, Williams, S.J, Boden, M, Kobe, B. | | Deposit date: | 2012-08-29 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of Rice Importin-Alpha and Structural Basis of its Interaction with Plant-Specific Nuclear Localization Signals.
Plant Cell, 24, 2012
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6DRZ
 | | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ... | | Authors: | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | | Deposit date: | 2018-06-13 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.102 Å) | | Cite: | Structural determinants of 5-HT2Breceptor activation and biased agonism.
Nat. Struct. Mol. Biol., 25, 2018
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4URF
 | | Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase from Aromatoleum aromaticum EbN1 | | Descriptor: | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ACETATE ION, BICARBONATE ION, ... | | Authors: | Buesing, I, Hoeffken, H.W, Breuer, M, Woehlbrand, L, Hauer, B, Rabus, R. | | Deposit date: | 2014-06-28 | | Release date: | 2015-07-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase from 'Aromatoleum Aromaticum' Ebn1.
J.Mol.Microbiol.Biotechnol., 25, 2015
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2AHA
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6QWX
 | | HEWL lysozyme, crystallized from NiCl2 solution | | Descriptor: | CHLORIDE ION, Lysozyme C, NICKEL (II) ION | | Authors: | Boikova, A.S, Dorovatovskii, P.V, Dyakova, Y.A, Ilina, K.B, Kuranova, I.P, Lazarenko, V.A, Marchenkova, M.A, Pisarevsky, Y.V, Timofeev, V.I, Kovalchuk, M.V. | | Deposit date: | 2019-03-06 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | HEWL lysozyme, crystallized from different chlorides
To Be Published
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