3OS1
| PFV target capture complex (TCC) at 2.97 A resolution | Descriptor: | DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*CP*CP*CP*GP*AP*GP*GP*CP*AP*CP*GP*TP*GP*CP*TP*AP*GP*CP*AP*CP*GP*TP*GP*CP*CP*TP*CP*GP*GP*G)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*(2DA))-3'), ... | Authors: | Maertens, G.N, Hare, S, Cherepanov, P. | Deposit date: | 2010-09-08 | Release date: | 2010-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | The mechanism of retroviral integration from X-ray structures of its key intermediates Nature, 468, 2010
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5QGI
| PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000710a | Descriptor: | 2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2018-05-15 | Release date: | 2019-03-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QGT
| PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000609a | Descriptor: | 1-(2-ethoxyphenyl)piperazine, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2018-05-15 | Release date: | 2019-03-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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4RRP
| Crystal Structure of the Fab complexed with antigen Asf1p, Northeast Structural Genomics Consortium (NESG) Target PdR16 | Descriptor: | Antigen Asf1p, DI(HYDROXYETHYL)ETHER, Fab antibody, ... | Authors: | Kuzin, A, Lew, S, Seetharaman, J, Mao, L, Xiao, R, Oconnell, P.T, Maglaqui, M, Bailey, L, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Chaperone-Enabled Studies of Epigenetic Regulation Enzymes (CEBS), Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2014-11-06 | Release date: | 2014-12-31 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Crystal Structure of the Fab complexed with antigen Asf1p, Northeast Structural Genomics Consortium (NESG) Target PdR16 To be Published
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5BQQ
| Human insulin with intra-chain chemical crosslink between modified B27 and B30 | Descriptor: | CHLORIDE ION, Insulin, PHENOL, ... | Authors: | Brzozowski, A.M, Turkenburg, J.P, Jiracek, J, Zakova, L. | Deposit date: | 2015-05-29 | Release date: | 2016-02-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Rational steering of insulin binding specificity by intra-chain chemical crosslinking. Sci Rep, 6, 2016
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4BDZ
| PFV intasome with inhibitor XZ-90 | Descriptor: | 17 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (TRANSFERRED STRAND), 19 NUCLEOTIDE PREPROCESSED PFV DONOR DNA (NON-TRANSFERRED STRAND), 2-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-6,7-bis(oxidanyl)isoindol-1-one, ... | Authors: | Hare, S, Cherepanov, P. | Deposit date: | 2012-10-08 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of HIV-1 Integrase. Acs Chem.Biol., 8, 2013
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5QH8
| PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with PCM-0102558 | Descriptor: | 1-[(2S)-2-(4-methoxyphenyl)-2,3,6,7-tetrahydro-1H-azepin-1-yl]ethan-1-one, ACETATE ION, Peroxisomal coenzyme A diphosphatase NUDT7 | Authors: | Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2018-05-15 | Release date: | 2019-03-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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2AME
| TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 N14Q | Descriptor: | PROTEIN (ANTIFREEZE PROTEIN TYPE III) | Authors: | Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z. | Deposit date: | 1999-01-18 | Release date: | 1999-04-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Quantitative and qualitative analysis of type III antifreeze protein structure and function. J.Biol.Chem., 274, 1999
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1N3U
| Crystal structure of human heme oxygenase 1 (HO-1) in complex with its substrate heme, crystal form B | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, heme oxygenase 1 | Authors: | Lad, L, Schuller, D.J, Friedman, J.P, Li, H, Ortiz de Montellano, P.R, Poulos, T.L. | Deposit date: | 2002-10-29 | Release date: | 2002-11-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Comparison of the heme-free and -bound crystal structures of human heme oxygenase-1 J.Biol.Chem., 278, 2003
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1XOM
| Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Cilomilast | Descriptor: | 1,2-ETHANEDIOL, CILOMILAST, MAGNESIUM ION, ... | Authors: | Card, G.L, England, B.P, Suzuki, Y, Fong, D, Powell, B, Lee, B, Luu, C, Tabrizizad, M, Gillette, S, Ibrahim, P.N, Artis, D.R, Bollag, G, Milburn, M.V, Kim, S.-H, Schlessinger, J, Zhang, K.Y.J. | Deposit date: | 2004-10-06 | Release date: | 2004-12-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. STRUCTURE, 12, 2004
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4RWQ
| Crystal structure of the apo-state of porcine OAS1 | Descriptor: | 2'-5'-oligoadenylate synthase 1 | Authors: | Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. | Deposit date: | 2014-12-05 | Release date: | 2015-05-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity. Structure, 23, 2015
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3OXA
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4A7G
| Structure of human I113T SOD1 mutant complexed with 4-methylpiperazin- 1-yl)quinazoline in the p21 space group. | Descriptor: | 4-(4-METHYLPIPERAZIN-1-YL)QUINAZOLINE, ACETATE ION, COPPER (II) ION, ... | Authors: | Wright, G.S.A, Kershaw, N.M, Sharma, R, Antonyuk, S.V, Strange, R.W, Berry, N.G, O'Neil, P.M, Hasnain, S.S. | Deposit date: | 2011-11-14 | Release date: | 2012-10-24 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | X-ray crystallography and computational docking for the detection and development of protein-ligand interactions. Curr.Med.Chem., 20, 2013
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2WII
| Complement C3b in complex with factor H domains 1-4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COMPLEMENT C3 BETA CHAIN, ... | Authors: | Wu, J, Janssen, B.J.C, Gros, P. | Deposit date: | 2009-05-12 | Release date: | 2009-06-09 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of complement fragment C3b-factor H and implications for host protection by complement regulators. Nat. Immunol., 10, 2009
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4NAE
| PcrB from Geobacillus kaustophilus, with bound G1P | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Heptaprenylglyceryl phosphate synthase, SN-GLYCEROL-1-PHOSPHATE | Authors: | Peterhoff, D, Beer, B, Rajendran, C, Kumpula, E.P, Kapetaniou, E, Guldan, H, Wierenga, R.K, Sterner, R, Babinger, P. | Deposit date: | 2013-10-22 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A comprehensive analysis of the geranylgeranylglyceryl phosphate synthase enzyme family identifies novel members and reveals mechanisms of substrate specificity and quaternary structure organization. Mol.Microbiol., 92, 2014
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2X4N
| Crystal structure of MHC CLass I HLA-A2.1 bound to residual fragments of a photocleavable peptide that is cleaved upon UV-light treatment | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BETA-2-MICROGLOBULIN, GLYCEROL, ... | Authors: | Celie, P.H.N, Toebes, M, Rodenko, B, Ovaa, H, Perrakis, A, Schumacher, T.N.M. | Deposit date: | 2010-02-02 | Release date: | 2010-03-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Uv-Induced Ligand Exchange in Mhc Class I Protein Crystals. J.Am.Chem.Soc., 131, 2009
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1JZW
| Arsenate Reductase + Sodium Arsenate From E. coli | Descriptor: | ARSENATE REDUCTASE, CESIUM ION, SULFATE ION, ... | Authors: | Martin, P, DeMel, S, Shi, J, Gladysheva, T, Gatti, D.L, Rosen, B.P, Edwards, B.F. | Deposit date: | 2001-09-17 | Release date: | 2001-11-28 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Insights into the structure, solvation, and mechanism of ArsC arsenate reductase, a novel arsenic detoxification enzyme. Structure, 9, 2001
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3FWN
| Dimeric 6-phosphogluconate dehydrogenase complexed with 6-phosphogluconate and 2'-monophosphoadenosine-5'-diphosphate | Descriptor: | 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, 6-PHOSPHOGLUCONIC ACID, 6-phosphogluconate dehydrogenase, ... | Authors: | Chen, Y.-Y, Ko, T.-P, Lo, L.-P, Lin, C.-H, Wang, A.H.-J. | Deposit date: | 2009-01-19 | Release date: | 2009-09-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conformational changes associated with cofactor/substrate binding of 6-phosphogluconate dehydrogenase from Escherichia coli and Klebsiella pneumoniae: Implications for enzyme mechanism J.Struct.Biol., 169, 2010
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1TKL
| Yeast Oxygen-Dependent Coproporphyrinogen Oxidase | Descriptor: | Coproporphyrinogen III oxidase | Authors: | Phillips, J.D, Whitby, F.G, Warby, C.A, Labbe, P, Yang, C, Pflugrath, J.W, Ferrara, J.D, Robinson, H, Kushner, J.P, Hill, C.P. | Deposit date: | 2004-06-08 | Release date: | 2004-07-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Oxygen-dependant Coproporphyrinogen Oxidase (Hem13p) of Saccharomyces cerevisiae J.Biol.Chem., 279, 2004
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6RZA
| Cryo-EM structure of the human inner arm dynein DNAH7 microtubule binding domain bound to microtubules | Descriptor: | Cytoplasmic dynein 1 heavy chain 1,Dynein heavy chain 7, axonemal,Cytoplasmic dynein 1 heavy chain 1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Lacey, S.E, He, S, Scheres, S.H.W, Carter, A.P. | Deposit date: | 2019-06-13 | Release date: | 2019-07-10 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-EM of dynein microtubule-binding domains shows how an axonemal dynein distorts the microtubule. Elife, 8, 2019
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6S04
| Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with N-glycolylneuraminic acid | Descriptor: | ACETATE ION, GLYCEROL, N-glycolyl-beta-neuraminic acid, ... | Authors: | Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J. | Deposit date: | 2019-06-13 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action. Nat Commun, 10, 2019
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2X8S
| Crystal Structure of the Abn2 D171A mutant in complex with arabinotriose | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | deSanctis, D, Inacio, J.M, Lindley, P.F, de Sa-Nogueira, I, Bento, I. | Deposit date: | 2010-03-11 | Release date: | 2011-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | New Evidence for the Role of Calcium in the Glycosidase Reaction of Gh43 Arabinanases. FEBS J., 277, 2010
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2OTH
| Crystal structure of a ternary complex of phospholipase A2 with indomethacin and nimesulide at 2.9 A resolution | Descriptor: | 4-NITRO-2-PHENOXYMETHANESULFONANILIDE, ACETONITRILE, INDOMETHACIN, ... | Authors: | Kumar, S, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2007-02-08 | Release date: | 2007-02-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of a ternary complex of phospholipase A2 with indomethacin and nimesulide at 2.9 A resolution To be Published
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1XYZ
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3ZW7
| The 3-dimensional structure of MpgP from Thermus thermophilus HB27, in complex with the alpha-mannosylglycerate and metaphosphate. | Descriptor: | (2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Goncalves, S, Esteves, A.M, Santos, H, Borges, N, Matias, P.M. | Deposit date: | 2011-07-28 | Release date: | 2011-10-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | The Three-Dimensional Structure of Mannosyl-3-Phosphoglycerate Phosphatase from Thermus Thermophilus Hb27: A New Member of the Haloalkanoic Acid Dehalogenase Superfamily. Biochemistry, 50, 2011
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