5CSY
| Disproportionating enzyme 1 from Arabidopsis - acarbose soak | Descriptor: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ... | Authors: | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | Deposit date: | 2015-07-23 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1). J.Biol.Chem., 290, 2015
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1JVL
| Azurin dimer, covalently crosslinked through bis-maleimidomethylether | Descriptor: | 1-[PYRROL-1-YL-2,5-DIONE-METHOXYMETHYL]-PYRROLE-2,5-DIONE, Azurin, COPPER (II) ION, ... | Authors: | van Amsterdam, I.M.C, Ubbink, M, Einsle, O, Messerschmidt, A, Merli, A, Cavazzini, D, Rossi, G.L, Canters, G.W. | Deposit date: | 2001-08-30 | Release date: | 2002-01-04 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dramatic modulation of electron transfer in protein complexes by crosslinking Nat.Struct.Biol., 9, 2002
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5CUW
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5CXV
| Structure of the human M1 muscarinic acetylcholine receptor bound to antagonist Tiotropium | Descriptor: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, 1,2-ETHANEDIOL, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Sun, B, Feng, D, Li, X, Kobilka, T.S, Kobilka, B.K. | Deposit date: | 2015-07-29 | Release date: | 2016-03-09 | Last modified: | 2016-03-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of the M1 and M4 muscarinic acetylcholine receptors. Nature, 531, 2016
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5DH7
| Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-G12A mutant in Mn2+ | Descriptor: | 5'-R(*GP*GP*GP*CP*GP*UP*DC*UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3', MANGANESE (II) ION, RNA (48-MER) | Authors: | Mir, A, Chen, J, Neau, D, Golden, B.L. | Deposit date: | 2015-08-29 | Release date: | 2015-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.064 Å) | Cite: | Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction. Biochemistry, 54, 2015
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5CYI
| CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300) | Descriptor: | 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Anscombe, E, Meschini, E, Vidal, R.M, Martin, M.P, Staunton, D, Geitmann, M, Danielson, U.H, Stanley, W.A, Wang, L.Z, Reuillon, T, Golding, B.T, Cano, C, Newell, D.R, Noble, M.E.M, Wedge, S.R, Endicott, J.A, Griffin, R.J. | Deposit date: | 2015-07-30 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and Characterization of an Irreversible Inhibitor of CDK2. Chem.Biol., 22, 2015
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3PNV
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5CPT
| Disproportionating enzyme 1 from Arabidopsis - beta cyclodextrin soak | Descriptor: | 1,2-ETHANEDIOL, 4-alpha-glucanotransferase DPE1, chloroplastic/amyloplastic, ... | Authors: | O'Neill, E.C, Stevenson, C.E.M, Tantanarat, K, Latousakis, D, Donaldson, M.I, Rejzek, M, Limpaseni, T, Smith, A.M, Field, R.A, Lawson, D.M. | Deposit date: | 2015-07-21 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Dissection of the Maltodextrin Disproportionation Cycle of the Arabidopsis Plastidial Disproportionating Enzyme 1 (DPE1). J.Biol.Chem., 290, 2015
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5D11
| Kinase domain of cSrc in complex with RL235 | Descriptor: | GLYCEROL, N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Becker, C, Gruetter, C, Engel, J, Rauh, D. | Deposit date: | 2015-08-03 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach. J.Med.Chem., 58, 2015
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1JDK
| solution structure of lactam analogue (EDap) of HIV gp41 600-612 loop. | Descriptor: | ACETYL GROUP | Authors: | Phan Chan Du, A, Limal, D, Semetey, V, Dali, H, Jolivet, M, Desgranges, C, Cung, M.T, Briand, J.P, Petit, M.C, Muller, S. | Deposit date: | 2001-06-14 | Release date: | 2003-07-01 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Structural and immunological characterisation of heteroclitic peptide analogues corresponding to the 600-612 region of the HIV envelope gp41 glycoprotein. J.Mol.Biol., 323, 2002
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1JMM
| Crystal structure of the V-region of Streptococcus mutans antigen I/II | Descriptor: | SODIUM ION, protein I/II V-region | Authors: | Troffer-Charlier, N, Ogier, J, Moras, D, Cavarelli, J. | Deposit date: | 2001-07-19 | Release date: | 2002-07-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the V-region of Streptococcus mutans Antigen I/II at 2.4 a Resolution Suggests a Sugar Preformed Binding Site J.Mol.Biol., 318, 2002
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1JQI
| Crystal Structure of Rat Short Chain Acyl-CoA Dehydrogenase Complexed With Acetoacetyl-CoA | Descriptor: | ACETOACETYL-COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, short chain acyl-CoA dehydrogenase | Authors: | Battaile, K.P, Molin-Case, J, Paschke, R, Wang, M, Bennett, D, Vockley, J, Kim, J.-J.P. | Deposit date: | 2001-08-07 | Release date: | 2002-02-13 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of rat short chain acyl-CoA dehydrogenase complexed with acetoacetyl-CoA: comparison with other acyl-CoA dehydrogenases. J.Biol.Chem., 277, 2002
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1JRE
| DNA PROTECTION AND BINDING BY E. COLI DPS PROTEIN | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, DNA PROTECTION DURING STARVATION PROTEIN | Authors: | Luo, J, Liu, D, White, M.A, Fox, R.O. | Deposit date: | 2001-08-13 | Release date: | 2003-06-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | DNA Protection and Binding by E. Coli Dps Protein To be Published
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1JTO
| Degenerate interfaces in antigen-antibody complexes | Descriptor: | Lysozyme, Vh Single-Domain Antibody | Authors: | Decanniere, K, Transue, T.R, Desmyter, A, Maes, D, Muyldermans, S, Wyns, L. | Deposit date: | 2001-08-21 | Release date: | 2001-10-31 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Degenerate interfaces in antigen-antibody complexes. J.Mol.Biol., 313, 2001
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5DFN
| Structure of Tetrahymena Telomerase P45 C-terminal domain | Descriptor: | Telomerase associated protein p45 | Authors: | Chan, H, Cascio, D, Sawaya, M.R, Feigon, J. | Deposit date: | 2015-08-27 | Release date: | 2015-10-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.382 Å) | Cite: | Structure of Tetrahymena telomerase reveals previously unknown subunits, functions, and interactions. Science, 350, 2015
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5F2Z
| Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P21 space group | Descriptor: | PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | Deposit date: | 2015-12-02 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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5F6X
| Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole from cocktail screen) | Descriptor: | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione, SUMO-conjugating enzyme UBC9 | Authors: | Lountos, G.T, Hewitt, W.M, Zlotkowski, K, Dahlhauser, S, Saunders, L.B, Needle, D, Tropea, J.E, Zhan, C, Wei, G, Ma, B, Nussinov, R, Schneekloth, J.S.Jr, Waugh, D.S. | Deposit date: | 2015-12-07 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Insights Into the Allosteric Inhibition of the SUMO E2 Enzyme Ubc9. Angew.Chem.Int.Ed.Engl., 55, 2016
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1L8N
| The 1.5A crystal structure of alpha-D-glucuronidase from Bacillus stearothermophilus T-1, complexed with 4-O-methyl-glucuronic acid and xylotriose | Descriptor: | 4-O-methyl-beta-D-glucopyranuronic acid, ALPHA-D-GLUCURONIDASE, GLYCEROL, ... | Authors: | Golan, G, Shallom, D, Teplitsky, A, Zaide, G, Shulami, S, Baasov, T, Stojanoff, V, Thompson, A, Shoham, Y, Shoham, G. | Deposit date: | 2002-03-21 | Release date: | 2003-03-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal Structures of Geobacillus stearothermophilus {alpha}-Glucuronidase Complexed with Its Substrate and Products: MECHANISTIC IMPLICATIONS. J.Biol.Chem., 279, 2004
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5F00
| CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-[3-[(3-chloro-8-quinolyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine | Descriptor: | (5~{R})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | Deposit date: | 2015-11-27 | Release date: | 2016-02-24 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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5F02
| CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide | Descriptor: | (2~{S},4~{R})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{N}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, Cathepsin L1, GLYCEROL | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | Deposit date: | 2015-11-27 | Release date: | 2016-02-24 | Last modified: | 2016-05-25 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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3Q6O
| Oxidoreductase Fragment of Human QSOX1 | Descriptor: | SULFATE ION, Sulfhydryl oxidase 1 | Authors: | Fass, D, Alon, A. | Deposit date: | 2011-01-03 | Release date: | 2012-05-30 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The dynamic disulphide relay of quiescin sulphydryl oxidase. Nature, 488, 2012
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5EXY
| Crystal structure of in cellulo recombinant CPV1 Polyhedra | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ... | Authors: | Boudes, M, Garriga, D, Coulibaly, F. | Deposit date: | 2015-11-24 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | A pipeline for structure determination of in vivo-grown crystals using in cellulo diffraction. Acta Crystallogr D Struct Biol, 72, 2016
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5F2T
| Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - C 2 space group | Descriptor: | MAGNESIUM ION, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | Deposit date: | 2015-12-02 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
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5EYO
| The crystal structure of the Max bHLH domain in complex with 5-carboxyl cytosine DNA | Descriptor: | DNA (5'-D(*AP*GP*TP*AP*GP*CP*AP*(1CC)P*GP*TP*GP*CP*TP*AP*CP*T)-3'), Protein max | Authors: | Wang, D, Hashimoto, H, Zhang, X, Cheng, X. | Deposit date: | 2015-11-25 | Release date: | 2016-12-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | MAX is an epigenetic sensor of 5-carboxylcytosine and is altered in multiple myeloma. Nucleic Acids Res., 45, 2017
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5EZX
| CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH {(1R,2R)-2-[(R)-2-Amino-4-(4-difluoromethoxy-phenyl)-4,5-dihydro-oxazol-4-yl]-cyclopropyl}-(5-chloro-pyridin-3-yl)-methanone | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ... | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | Deposit date: | 2015-11-27 | Release date: | 2016-02-24 | Last modified: | 2016-05-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
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