8AAT
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2YQ1
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3QFD
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3N4L
| BACE-1 in complex with ELN380842 | Descriptor: | Beta-secretase 1, N-[(1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-3-({1-[3-(1H-pyrazol-1-yl)phenyl]cyclohexyl}amino)propyl]acetamide | Authors: | Yao, N.H. | Deposit date: | 2010-05-21 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. Bioorg.Med.Chem.Lett., 20, 2010
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5BPC
| DNA polymerase beta ternary complex with a templating 5ClC and incoming dATP analog | Descriptor: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]adenosine, DNA (5'-D(*CP*CP*GP*AP*CP*(CDO)P*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3'), ... | Authors: | Freudenthal, B.D, Wilson, S.H. | Deposit date: | 2015-05-28 | Release date: | 2015-08-19 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Intrinsic mutagenic properties of 5-chlorocytosine: A mechanistic connection between chronic inflammation and cancer. Proc.Natl.Acad.Sci.USA, 112, 2015
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2MSB
| STRUCTURE OF A C-TYPE MANNOSE-BINDING PROTEIN COMPLEXED WITH AN OLIGOSACCHARIDE | Descriptor: | CALCIUM ION, MANNOSE-BINDING PROTEIN-A, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Weis, W.I, Drickamer, K, Hendrickson, W.A. | Deposit date: | 1992-07-28 | Release date: | 1993-10-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of a C-type mannose-binding protein complexed with an oligosaccharide. Nature, 360, 1992
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3IK1
| Lactobacillus casei Thymidylate Synthase in Ternary Complex with dUMP and the Phtalimidic Derivative 20C | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-hydroxy-4-(4-methyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, Thymidylate synthase | Authors: | Pozzi, C, Cancian, L, Leone, R, Luciani, R, Ferrari, S, Mangani, S, Costi, M.P. | Deposit date: | 2009-08-05 | Release date: | 2010-08-11 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening J.Med.Chem., 54, 2011
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2WJO
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2WO0
| EDTA treated E. coli copper amine oxidase | Descriptor: | COPPER (II) ION, PRIMARY AMINE OXIDASE, SODIUM ION | Authors: | Smith, M.A, Pirrat, P, Pearson, A.R, Knowles, P.F, Phillips, S.E.V, McPherson, M.J. | Deposit date: | 2009-07-21 | Release date: | 2010-05-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Exploring the Roles of the Metal Ions in Escherichia Coli Copper Amine Oxidase. Biochemistry, 49, 2010
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4XE1
| Human carbonic anhydrase II in complex with 6-SULFAMOYL-SACCHARIN | Descriptor: | 3-oxo-2,3-dihydro-1,2-benzothiazole-6-sulfonamide 1,1-dioxide, 4-(HYDROXYMERCURY)BENZOIC ACID, Carbonic anhydrase 2, ... | Authors: | Alterio, V, De Simone, G. | Deposit date: | 2014-12-21 | Release date: | 2015-03-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-ray crystallographic and kinetic investigations of 6-sulfamoyl-saccharin as a carbonic anhydrase inhibitor. Org.Biomol.Chem., 13, 2015
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7QQ6
| GCN2 (EIF2ALPHA KINASE 4, E2AK4) IN COMPLEX WITH COMPOUND 1 (dovitinib) | Descriptor: | 4-amino-5-fluoro-3-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one, eIF-2-alpha kinase GCN2 | Authors: | Maia de Oliveira, T. | Deposit date: | 2022-01-06 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The structure of human GCN2 reveals a parallel, back-to-back kinase dimer with a plastic DFG activation loop motif. Biochem.J., 477, 2020
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3IMG
| Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.8 Ang resolution in a ternary complex with fragment compounds 5-methoxyindole and 1-benzofuran-2-carboxylic acid | Descriptor: | 1-benzofuran-2-carboxylic acid, 5-methoxy-1H-indole, ETHANOL, ... | Authors: | Ciulli, A, Hung, A.W, Silvestre, H.L, Wen, S, Blundell, T.L, Abell, C. | Deposit date: | 2009-08-10 | Release date: | 2009-10-13 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Application of fragment growing and fragment linking to the discovery of inhibitors of Mycobacterium tuberculosis pantothenate synthetase. Angew.Chem.Int.Ed.Engl., 48, 2009
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5AR7
| RIP2 Kinase Catalytic Domain (1 - 310) complex with Biaryl Urea | Descriptor: | 1-(5-TERT-BUTYL-1,2-OXAZOL-3-YL)-3-(4-PYRIDIN-4-YLOXYPHENYL)UREA, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | Deposit date: | 2015-09-24 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity. Bioorg.Med.Chem., 23, 2015
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6IYU
| Crystal Structure Analysis of an Eukaryotic Membrane Protein | Descriptor: | CALCIUM ION, CHLORIDE ION, Trimeric intracellular cation channel type A | Authors: | Wang, X.H, Zeng, Y, Su, M, Gao, F, Chen, Y.H. | Deposit date: | 2018-12-17 | Release date: | 2019-05-01 | Last modified: | 2019-11-06 | Method: | X-RAY DIFFRACTION (2.199 Å) | Cite: | Structural basis for activity of TRIC counter-ion channels in calcium release. Proc.Natl.Acad.Sci.USA, 116, 2019
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6IZ1
| Crystal Structure Analysis of a Eukaryotic Membrane Protein | Descriptor: | CALCIUM ION, CHLORIDE ION, Trimeric intracellular cation channel type A | Authors: | Wang, X.H, Zeng, Y, Gao, F, Su, M, Chen, Y.H. | Deposit date: | 2018-12-18 | Release date: | 2019-05-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Structural basis for activity of TRIC counter-ion channels in calcium release. Proc.Natl.Acad.Sci.USA, 116, 2019
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1PVD
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3IN5
| Structure of human DNA polymerase kappa inserting dATP opposite an 8-oxoG DNA lesion | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*C*CP*TP*AP*(8OG)P*GP*AP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), DNA (5'-D(*GP*G*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*(DOC))-3'), ... | Authors: | Silverstein, T.D, Vasquez-Del Carpio, R, Aggarwal, A.K. | Deposit date: | 2009-08-11 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of human DNA polymerase kappa inserting dATP opposite an 8-oxoG DNA lesion PLOS ONE, 4, 2009
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7OBH
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7OBX
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7OBY
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7OBG
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7OBD
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7OBS
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7OB8
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7OBT
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