3OH0
| Protein structure of USP from L. major bound to URIDINE-5'-TRIPHOSPHATE | Descriptor: | GLYCEROL, UDP-sugar pyrophosphorylase, URIDINE 5'-TRIPHOSPHATE | Authors: | Dickmanns, A, Damerow, S, Neumann, P, Schulz, E.-C, Lamerz, A, Routier, F, Ficner, R. | Deposit date: | 2010-08-17 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural basis for the broad substrate range of the UDP-sugar pyrophosphorylase from Leishmania major. J.Mol.Biol., 405, 2011
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4M30
| Crystal structure of RNASE III complexed with double-stranded RNA AND AMP (TYPE II CLEAVAGE) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ... | Authors: | Gan, J, Liang, Y.-H, Shaw, G.X, Tropea, J.E, Waugh, D.S, Ji, X. | Deposit date: | 2013-08-05 | Release date: | 2013-12-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | RNase III: Genetics and Function; Structure and Mechanism. Annu. Rev. Genet., 47, 2013
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5RV0
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000039994 | Descriptor: | N-(1,3-thiazol-2-yl)benzamide, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 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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3OH1
| Protein structure of USP from L. major bound to URIDINE-5'-DIPHOSPHATE-Galacturonic acid | Descriptor: | (2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid, GLYCEROL, UDP-sugar pyrophosphorylase | Authors: | Dickmanns, A, Damerow, S, Neumann, P, Schulz, E.-C, Lamerz, A, Routier, F, Ficner, R. | Deposit date: | 2010-08-17 | Release date: | 2010-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural basis for the broad substrate range of the UDP-sugar pyrophosphorylase from Leishmania major. J.Mol.Biol., 405, 2011
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3OHF
| Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with bms-655295 aka n~3~-((1s,2r)-1- benzyl-2-hydroxy-3-((3-methoxybenzyl)amino)propyl)-n~1~, n~1~-dibutyl-1h-indole-1,3-dicarboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Muckelbauer, J.K. | Deposit date: | 2010-08-17 | Release date: | 2011-04-06 | Last modified: | 2017-03-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and SAR of indole-and 7-azaindole-1,3-dicarboxamide hydroxyethylamine inhibitors of BACE-1. Bioorg.Med.Chem.Lett., 21, 2011
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5RVG
| PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000400552187_N3 | Descriptor: | 3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine, Non-structural protein 3 | Authors: | Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. | Deposit date: | 2020-09-28 | Release date: | 2020-12-16 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 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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3H1V
| Human glucokinase in complex with a synthetic activator | Descriptor: | 1-({5-[4-(methylsulfonyl)phenoxy]-2-pyridin-2-yl-1H-benzimidazol-6-yl}methyl)pyrrolidine-2,5-dione, Glucokinase, SODIUM ION, ... | Authors: | Kamata, K, Takahashi, K. | Deposit date: | 2009-04-14 | Release date: | 2009-10-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | The design and optimization of a series of 2-(pyridin-2-yl)-1H-benzimidazole compounds as allosteric glucokinase activators. Bioorg.Med.Chem., 17, 2009
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4M5S
| Human alphaB crystallin core domain in complex with C-terminal peptide | Descriptor: | Alpha-crystallin B chain, SUCCINIC ACID | Authors: | Laganowsky, A, Cascio, D, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2013-08-08 | Release date: | 2014-04-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | The structured core domain of alpha B-crystallin can prevent amyloid fibrillation and associated toxicity. Proc.Natl.Acad.Sci.USA, 111, 2014
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3GXT
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3H1O
| The Structure of Fluorescent Protein FP480 | Descriptor: | Fluorescent protein FP480, GLYCEROL | Authors: | Pletnev, S, Morozova, K.S, Verkhusha, V.V, Dauter, Z. | Deposit date: | 2009-04-13 | Release date: | 2009-09-08 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Rotational order-disorder structure of fluorescent protein FP480 Acta Crystallogr.,Sect.D, 65, 2009
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4M2R
| Human Carbonic Anhydrase II in complex with Brinzolamide | Descriptor: | (+)-4-ETHYLAMINO-3,4-DIHYDRO-2-(METHOXY)PROPYL-2H-THIENO[3,2-E]-1,2-THIAZINE-6-SULFONAMIDE-1,1-DIOXIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R. | Deposit date: | 2013-08-05 | Release date: | 2013-11-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.993 Å) | Cite: | Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases. Bioorg.Med.Chem., 21, 2013
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3H20
| Crystal structure of primase RepB' | Descriptor: | DIPHOSPHATE, Replication protein B, SULFATE ION | Authors: | Geibel, S, Banchenko, S, Engel, M, Lanka, E, Saenger, W. | Deposit date: | 2009-04-14 | Release date: | 2009-04-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure and function of primase RepB' encoded by broad-host-range plasmid RSF1010 that replicates exclusively in leading-strand mode Proc.Natl.Acad.Sci.USA, 106, 2009
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4K3P
| E. coli sliding clamp in complex with AcQLALF | Descriptor: | (ACE)QLALF, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Yin, Z, Oakley, A.J. | Deposit date: | 2013-04-11 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural and Thermodynamic Dissection of Linear Motif Recognition by the E. coli Sliding Clamp J.Med.Chem., 56, 2013
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4KC1
| Structure of the blood group glycosyltransferase AAglyB in complex with a pyridine inhibitor as a neutral pyrophosphate surrogate | Descriptor: | 6-(1-beta-D-Glucopyranosyloxymethyl)-N-(5'-deoxyluridine-5'-yl)picolinamide, Fucosylglycoprotein alpha-N-acetylgalactosaminyltransferase, MANGANESE (II) ION, ... | Authors: | Cuesta-Seijo, J.A, Wang, S, Lafont, D, Vidal, S, Palcic, M.M. | Deposit date: | 2013-04-24 | Release date: | 2013-09-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Design of glycosyltransferase inhibitors: pyridine as a pyrophosphate surrogate. Chemistry, 19, 2013
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3OKU
| Human Carbonic Anhydrase II in complex with 2-Ethylestrone-3-O-sulfamate | Descriptor: | (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | Deposit date: | 2010-08-25 | Release date: | 2011-07-06 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
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4K57
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3OIT
| Crystal structure of curcuminoid synthase CUS from Oryza sativa | Descriptor: | Os07g0271500 protein | Authors: | Miyazono, K, Um, J, Imai, F.L, Katsuyama, Y, Ohnishi, Y, Horinouchi, S, Tanokura, M. | Deposit date: | 2010-08-19 | Release date: | 2010-10-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of curcuminoid synthase CUS from Oryza sativa Proteins, 79, 2011
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3H57
| Myoglobin Cavity Mutant H64LV68N Deoxy form | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Soman, J, Olson, J.S. | Deposit date: | 2009-04-21 | Release date: | 2009-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Optical detection of disordered water within a protein cavity. J.Am.Chem.Soc., 131, 2009
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4MB5
| Crystal structure of E153Q mutant of cold-adapted chitinase from Moritella complex with Nag5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase 60, DI(HYDROXYETHYL)ETHER, ... | Authors: | Malecki, P.H, Vorgias, C.E, Rypniewski, W. | Deposit date: | 2013-08-19 | Release date: | 2014-03-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.639 Å) | Cite: | Crystal structures of substrate-bound chitinase from the psychrophilic bacterium Moritella marina and its structure in solution Acta Crystallogr.,Sect.D, 70, 2014
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4M7C
| Crystal structure of the TRF2-binding motif of SLX4 in complex with the TRFH domain of TRF2 | Descriptor: | Peptide from Structure-specific endonuclease subunit SLX4, Telomeric repeat-binding factor 2 | Authors: | Wan, B, Chen, Y, Wu, J, Liu, Y, Lei, M. | Deposit date: | 2013-08-12 | Release date: | 2013-09-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | SLX4 Assembles a Telomere Maintenance Toolkit by Bridging Multiple Endonucleases with Telomeres Cell Rep, 4, 2013
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4KGZ
| The R state structure of E. coli ATCase with UTP and Magnesium bound | Descriptor: | Aspartate carbamoyltransferase, Aspartate carbamoyltransferase regulatory chain, MAGNESIUM ION, ... | Authors: | Cockrell, G.M, Zheng, Y, Guo, W, Peterson, A.W, Kantrowitz, E.R. | Deposit date: | 2013-04-29 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | New Paradigm for Allosteric Regulation of Escherichia coli Aspartate Transcarbamoylase. Biochemistry, 52, 2013
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4O7P
| Crystal structure of Mycobacterium tuberculosis maltose kinase MaK complexed with maltose | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Maltokinase, SULFATE ION, ... | Authors: | Li, J, Guan, X.T, Rao, Z.H. | Deposit date: | 2013-12-26 | Release date: | 2014-10-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Homotypic dimerization of a maltose kinase for molecular scaffolding. Sci Rep, 4, 2014
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4ODE
| Co-Crystal Structure of MDM2 with Inhibitor Compound 4 | Descriptor: | (2-{[(3R,5R,6S)-1-[(1S)-2-(tert-butylsulfonyl)-1-cyclopropylethyl]-6-(4-chloro-3-fluorophenyl)-5-(3-chlorophenyl)-3-methyl-2-oxopiperidin-3-yl]methyl}-1,3-thiazol-5-yl)acetic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION | Authors: | Shaffer, P.L, Huang, X, Yakowec, P, Long, A.M. | Deposit date: | 2014-01-10 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel Inhibitors of the MDM2-p53 Interaction Featuring Hydrogen Bond Acceptors as Carboxylic Acid Isosteres. J.Med.Chem., 57, 2014
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3OMI
| Catalytic core subunits (I and II) of cytochrome C oxidase from Rhodobacter sphaeroides with D132A mutation | Descriptor: | (2S,3R)-heptane-1,2,3-triol, CADMIUM ION, CALCIUM ION, ... | Authors: | Liu, J, Qin, L, Ferguson-Miller, S. | Deposit date: | 2010-08-27 | Release date: | 2011-02-02 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystallographic and online spectral evidence for role of conformational change and conserved water in cytochrome oxidase proton pump. Proc.Natl.Acad.Sci.USA, 108, 2011
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4OE2
| 2.00 Angstroms X-ray crystal structure of E268A 2-aminomuconate 6-semialdehyde dehydrogenase from Pseudomonas fluorescens | Descriptor: | 2-aminomuconate 6-semialdehyde dehydrogenase, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Huo, L, Davis, I, Liu, F, Esaki, S, Iwaki, H, Hasegawa, Y, Liu, A. | Deposit date: | 2014-01-11 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic and spectroscopic snapshots reveal a dehydrogenase in action. Nat Commun, 6, 2015
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