7NDV
| X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001888. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[4-(trifluoromethyl)phenoxy]piperidine, Acetylcholine-binding protein, ... | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | Deposit date: | 2021-02-02 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor RSC Advances, 11, 2021
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5NUK
| Engineered beta-lactoglobulin: variant I56F-L39A-M107F in complex with chlorpromazine (LG-FAF-CLP) | Descriptor: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, Beta-lactoglobulin, CHLORIDE ION, ... | Authors: | Loch, J.I, Bonarek, P, Tworzydlo, M, Lazinska, I, Szydlowska, J, Lewinski, K. | Deposit date: | 2017-04-30 | Release date: | 2018-04-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The engineered beta-lactoglobulin with complementarity to the chlorpromazine chiral conformers. Int. J. Biol. Macromol., 114, 2018
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6SC7
| dAb3/HOIP-RBR-Ligand3 | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase RNF31, SULFATE ION, ... | Authors: | Tsai, Y.-C.I, Johansson, H, House, D, Rittinger, K. | Deposit date: | 2019-07-23 | Release date: | 2019-11-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Single-Domain Antibodies as Crystallization Chaperones to Enable Structure-Based Inhibitor Development for RBR E3 Ubiquitin Ligases. Cell Chem Biol, 27, 2020
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7NDP
| X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001856. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-bromanylspiro[3~{H}-chromene-2,4'-piperidine]-4-one, ... | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | Deposit date: | 2021-02-02 | Release date: | 2021-04-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of fragments inducing conformational effects in dynamic proteins using a second-harmonic generation biosensor. Rsc Adv, 11, 2021
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4RI1
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1LLU
| THE TERNARY COMPLEX OF PSEUDOMONAS AERUGINOSA ALCOHOL DEHYDROGENASE WITH ITS COENZYME AND WEAK SUBSTRATE | Descriptor: | 1,2-ETHANEDIOL, Alcohol Dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Levin, I, Meiri, G, Peretz, M, Frolow, F, Burstein, Y. | Deposit date: | 2002-04-30 | Release date: | 2003-11-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The ternary complex of Pseudomonas aeruginosa alcohol dehydrogenase with NADH and ethylene glycol. Protein Sci., 13, 2004
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4RJL
| Gamma subunit of the translation initiation factor 2 from Sulfolobus solfataricus complexed with GDPCP | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Kravchenko, O.V, Nikonov, O.S, Arhipova, V.I, Stolboushkina, E.A, Gabdulkhakov, A.G, Nikulin, A.D, Garber, M.B, Nikonov, S.V. | Deposit date: | 2014-10-09 | Release date: | 2015-11-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6401 Å) | Cite: | Crystal structure of gamma subunit of the translation initiation factor 2 from Sulfolobus solfataricus in complex with GDPCP at 1.64A resolution To be Published
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3LPD
| Crystal structure of a subtilisin-like protease | Descriptor: | Acidic extracellular subtilisin-like protease AprV2, CALCIUM ION | Authors: | Porter, C.J, Wong, W, Whisstock, J.C, Rood, J.I, Kennan, R.M. | Deposit date: | 2010-02-05 | Release date: | 2010-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Subtilisin-Like Protease AprV2 Is Required for Virulence and Uses a Novel Disulphide-Tethered Exosite to Bind Substrates Plos Pathog., 6, 2010
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5KQV
| Insulin receptor ectodomain construct comprising domains L1,CR,L2, FnIII-1 and alphaCT peptide in complex with bovine insulin and FAB 83-14 (REVISED STRUCTURE) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin, Insulin receptor,Insulin receptor, ... | Authors: | Lawrence, M.C, Smith, B.J, Croll, T.I. | Deposit date: | 2016-07-06 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | How insulin engages its primary binding site on the insulin receptor. Nature, 493, 2013
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1DME
| THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF CALLINECTES SAPIDUS METALLOTHIONEIN-I DETERMINED BY HOMONUCLEAR AND HETERONUCLEAR MAGNETIC RESONANCE SPECTOSCOPY | Descriptor: | CADMIUM ION, CD6 METALLOTHIONEIN-1 | Authors: | Narula, S.S, Brouwer, M, Hua, Y, Armitage, I.M. | Deposit date: | 1994-11-22 | Release date: | 1995-02-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure of Callinectes sapidus metallothionein-1 determined by homonuclear and heteronuclear magnetic resonance spectroscopy. Biochemistry, 34, 1995
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7B73
| Insight into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2. | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Short-chain dehydrogenase/reductase SDR | Authors: | Wessel, J, Petrillo, G, Estevez, M, Bosh, S, Seeger, M, Dijkman, W.P, Hidalgo, A, Uson, I, Osuna, S, Schallmey, A. | Deposit date: | 2020-12-09 | Release date: | 2021-04-07 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Insights into the molecular determinants of thermal stability in halohydrin dehalogenase HheD2. Febs J., 288, 2021
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1DMD
| THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF CALLINECTES SAPIDUS METALLOTHIONEIN-I DETERMINED BY HOMONUCLEAR AND HETERONUCLEAR MAGNETIC RESONANCE SPECTOSCOPY | Descriptor: | CADMIUM ION, CD6 METALLOTHIONEIN-1 | Authors: | Narula, S.S, Brouwer, M, Hua, Y, Armitage, I.M. | Deposit date: | 1994-11-22 | Release date: | 1995-02-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure of Callinectes sapidus metallothionein-1 determined by homonuclear and heteronuclear magnetic resonance spectroscopy. Biochemistry, 34, 1995
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1DMC
| THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF CALLINECTES SAPIDUS METALLOTHIONEIN-I DETERMINED BY HOMONUCLEAR AND HETERONUCLEAR MAGNETIC RESONANCE SPECTROSCOPY | Descriptor: | CADMIUM ION, CD6 METALLOTHIONEIN-1 | Authors: | Narula, S.S, Brouwer, M, Hua, Y, Armitage, I.M. | Deposit date: | 1994-11-22 | Release date: | 1995-02-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure of Callinectes sapidus metallothionein-1 determined by homonuclear and heteronuclear magnetic resonance spectroscopy. Biochemistry, 34, 1995
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7KQP
| Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose (P43 crystal form) | Descriptor: | Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-11-17 | Release date: | 2020-12-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (0.88 Å) | Cite: | Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
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3LS8
| Crystal structure of human PIK3C3 in complex with 3-[4-(4-Morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-phenol | Descriptor: | 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, CHLORIDE ION, GLYCEROL, ... | Authors: | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Kraulis, P, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Van den Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | Deposit date: | 2010-02-12 | Release date: | 2010-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of human PIK3C3 in complex with 3-[4-(4-Morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-phenol To be Published
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3LX9
| Interconversion of Human Lysosomal Enzyme Specificities | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-galactosidase A, ... | Authors: | Tomasic, I.B, Metcalf, M.C, Guce, A.I, Clark, N.E, Garman, S.C. | Deposit date: | 2010-02-25 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Interconversion of the specificities of human lysosomal enzymes associated with Fabry and Schindler diseases. J.Biol.Chem., 285, 2010
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7AKJ
| Structure of the SARS-CoV spike glycoprotein in complex with the 47D11 neutralizing antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fedry, J, Hurdiss, D.L, Wang, C, Li, W, Obal, G, Drulyte, I, Howes, S.C, van Kuppeveld, F.J.M, Foerster, F, Bosch, B.J. | Deposit date: | 2020-10-01 | Release date: | 2021-05-19 | Last modified: | 2021-06-16 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural insights into the cross-neutralization of SARS-CoV and SARS-CoV-2 by the human monoclonal antibody 47D11. Sci Adv, 7, 2021
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5JEF
| Fragment of nitrate/nitrite sensor histidine kinase NarQ (WT) in asymmetric holo state | Descriptor: | EICOSANE, NITRATE ION, Nitrate/nitrite sensor protein NarQ | Authors: | Gushchin, I, Melnikov, I, Polovinkin, V, Ishchenko, A, Popov, A, Gordeliy, V. | Deposit date: | 2016-04-18 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Mechanism of transmembrane signaling by sensor histidine kinases. Science, 356, 2017
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1LIJ
| STRUCTURE OF T. GONDII ADENOSINE KINASE BOUND TO PRODRUG 2 7-IODOTUBERCIDIN AND AMP-PCP | Descriptor: | 2-RIBOFURANOSYL-3-IODO-2,3-DIHYDRO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Schumacher, M.A, Scott, D.M, Mathews, I.I, Ealick, S.E, Roos, D.S, Ullman, B, Brennan, R.G. | Deposit date: | 2002-04-17 | Release date: | 2002-05-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal structures of Toxoplasma gondii adenosine kinase reveal a novel catalytic mechanism and prodrug binding. J.Mol.Biol., 298, 2000
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7AIP
| Structure of Human Potassium Chloride Transporter KCC1 in NaCl (Reference Map) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ebenhoch, R, Chi, G, Man, H, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Bohstedt, T, Liko, I, Tehan, B.G, Almeida, F.G, Elkins, J, Singh, N.K, Abrusci, P, Arrowsmith, C.H, Tang, H, Robinson, C.V, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L, Structural Genomics Consortium (SGC) | Deposit date: | 2020-09-28 | Release date: | 2021-06-02 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.12 Å) | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters. Embo J., 40, 2021
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5FPY
| Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 5-bromo-1-methyl-1H-indole-2-carboxylic acid (AT21457) in an alternate binding site. | Descriptor: | 5-bromo-1-methyl-1H-indole-2-carboxylic acid, SERINE PROTEASE NS3 | Authors: | Davies, T.G, Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M. | Deposit date: | 2015-12-03 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening. Proc.Natl.Acad.Sci.USA, 112, 2015
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5J1Q
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7AQM
| ADP-ribosylserine hydrolase ARH3 of Latimeria chalumnae in complex with alpha-1''-O-methyl-ADP-ribose (meADPr) | Descriptor: | ADP-ribosylhydrolase like 2, Adenosine 5'-diphosphoric acid beta-[(3beta,4beta-dihydroxy-5beta-methoxytetrahydrofuran-2alpha-yl)methyl] estere, MAGNESIUM ION | Authors: | Rack, J.G.M, Zorzini, V, Ahel, I. | Deposit date: | 2020-10-22 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanistic insights into the three steps of poly(ADP-ribosylation) reversal. Nat Commun, 12, 2021
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8EAP
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7ARW
| Structure of human ARH3 E41A bound to alpha-NAD+ and magnesium | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADP-ribose glycohydrolase ARH3, ... | Authors: | Rack, J.G.M, Zorzini, V, Ahel, I. | Deposit date: | 2020-10-26 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Mechanistic insights into the three steps of poly(ADP-ribosylation) reversal. Nat Commun, 12, 2021
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