4CLI
 
 | | Structure of the Human Anaplastic Lymphoma Kinase in Complex with PF- 06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16, 17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile). | | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR | | Authors: | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | | Deposit date: | 2014-01-14 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
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4CVT
 | | Structure of Apobacterioferritin Y58F variant | | Descriptor: | BACTERIOFERRITIN, ZINC ION | | Authors: | Hingorani, K, Pace, R, Whitney, S, Murray, J.W, Wydrzynski, T, Cheah, M.H, Smith, P, Hillier, W. | | Deposit date: | 2014-03-29 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.794 Å) | | Cite: | Photo-Oxidation of Tyrosine in a Bio-Engineered Bacterioferritin 'Reaction Centre'-A Protein Model for Artificial Photosynthesis.
Biochim.Biophys.Acta, 1837, 2014
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4CMT
 | | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 3-((1R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)- 5-(3-(methylsulfonyl)phenyl)pyridin-2-amine | | Descriptor: | 3-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | | Authors: | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | | Deposit date: | 2014-01-17 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations.
J.Med.Chem., 57, 2014
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4CVP
 | | Structure of Apobacterioferritin | | Descriptor: | BACTERIOFERRITIN, FE (III) ION | | Authors: | Hingorani, K, Pace, R, Whitney, S, Murray, J.W, Wydrzynski, T, Cheah, M.H, Smith, P, Hillier, W. | | Deposit date: | 2014-03-28 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Photo-Oxidation of Tyrosine in a Bio-Engineered Bacterioferritin 'Reaction Centre'-A Protein Model for Artificial Photosynthesis.
Biochim.Biophys.Acta, 1837, 2014
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4CXY
 | | Crystal structure of human FTO in complex with acylhydrazine inhibitor 21 | | Descriptor: | (E)-4-(2-Nicotinoylhydrazinyl)-4-oxobut-2-enoic acid, ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASE FTO, NICKEL (II) ION | | Authors: | Toh, D.W, Sun, L, Tan, J, Chen, Y, Lau, L.Z.M, Hong, W, Woon, E.C.Y, Gao, Y.G. | | Deposit date: | 2014-04-09 | | Release date: | 2014-10-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | A strategy based on nucleotide specificity leads to a subfamily-selective and cell-active inhibitor ofN6-methyladenosine demethylase FTO.
Chem Sci, 6, 2015
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4CNE
 | | Crystal structure of E.coli TrmJ in complex with S-adenosyl-L- homocysteine | | Descriptor: | DI(HYDROXYETHYL)ETHER, S-ADENOSYL-L-HOMOCYSTEINE, TRNA (CYTIDINE/URIDINE-2'-O-)-METHYLTRANSFERASE TRMJ | | Authors: | Van Laer, B, Somme, J, Roovers, M, Steyaert, J, Droogmans, L, Versees, W. | | Deposit date: | 2014-01-22 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of Two Homologous 2'-O-Methyltransferases Showing Different Specificities for Their tRNA Substrates.
RNA, 20, 2014
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4BQJ
 | | structure of HSP90 with an inhibitor bound | | Descriptor: | 5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-ethyl-1,2-oxazole-3-carboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | | Authors: | Casale, E, Brasca, M.G, Mantegani, S, Amboldi, N, Bindi, S, Caronni, D, Ceccarelli, W, Colombo, N, DePonti, A, Donati, D, Ermoli, A, Fachin, G, Felder, E.R, Ferguson, R.D, Fiorelli, C, Guanci, M, Isacchi, A, Pesenti, E, Polucci, P, Riceputi, L, Sola, F, Visco, C, Zuccotto, F, Fogliatto, G. | | Deposit date: | 2013-05-30 | | Release date: | 2013-10-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Nms-E973 as Novel, Selective and Potent Inhibitor of Heat Shock Protein 90 (Hsp90).
Bioorg.Med.Chem., 21, 2013
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4CA9
 | | Structure of the Nucleoplasmin-like N-terminal domain of Drosophila FKBP39 | | Descriptor: | 39 KDA FK506-BINDING NUCLEAR PROTEIN | | Authors: | Artero, J, Forsyth, T, Callow, P, Watson, A.A, Zhang, W, Laue, E.D, Edlich-Muth, C, Przewloka, M. | | Deposit date: | 2013-10-07 | | Release date: | 2014-10-29 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | The Pentameric Nucleoplasmin Fold is Present in Drosophila Fkbp39 and a Large Number of Chromatin-Related Proteins.
J.Mol.Biol., 427, 2015
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4BVD
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | Descriptor: | 5-chloro-2-fluoro-N-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide, APOLIPOPROTEIN(A), CHLORIDE ION | | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | Deposit date: | 2013-06-25 | | Release date: | 2014-07-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
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4BV7
 | | Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV. | | Descriptor: | 3-(4-piperidyl)propanoic acid, ACETATE ION, APOLIPOPROTEIN(A) | | Authors: | Sandmark, J, Althage, M, Andersson, G.M.K, Antonsson, T, Blaho, S, Bodin, C, Bostrom, J, Chen, Y, Dahlen, A, Eriksson, P.O, Evertsson, E, Fex, T, Fjellstrom, O, Gustafsson, D, Hallberg, C, Hicks, R, Jarkvist, E, Johansson, C, Kalies, I, Kang, D, Svalstedt Karlsson, B, Kartberg, F, Legnehed, A, Lindqvist, A.M, Martinsson, S.A, Moberg, A, Petersson, A.U, Ridderstrom, M, Thelin, A, Tigerstrom, A, Vinblad, J, Xu, B, Knecht, W. | | Deposit date: | 2013-06-25 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
To be Published
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7ZEI
 | | Thermostable GH159 glycoside hydrolase from Caldicellulosiruptor at 1.7 A | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | | Authors: | Baudrexl, M, Fida, T, Berk, B, Schwarz, W, Zverlov, V.V, Groll, M, Liebl, W. | | Deposit date: | 2022-03-31 | | Release date: | 2022-08-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biochemical and Structural Characterization of Thermostable GH159 Glycoside Hydrolases Exhibiting alpha-L-Arabinofuranosidase Activity.
Front Mol Biosci, 9, 2022
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4E9B
 | | Structure of Peptide Deformylase form Helicobacter Pylori in complex with actinonin | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACTINONIN, COBALT (II) ION, ... | | Authors: | Cui, K, Zhu, L, Lu, W, Huang, J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-04-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Identification of Novel Peptide Deformylase Inhibitors from Natural Products
To be Published
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4ECS
 | | Human DNA polymerase eta - DNA ternary complex: Reaction in the AT crystal at pH 7.0 for 80 sec | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | | Authors: | Nakamura, T, Zhao, Y, Yang, W. | | Deposit date: | 2012-03-26 | | Release date: | 2012-07-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.951 Å) | | Cite: | Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
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4ECX
 | | Human DNA polymerase eta - DNA ternary complex: Reaction in the AT crystal at pH 7.0 for 300 sec | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | | Authors: | Nakamura, T, Zhao, Y, Yang, W. | | Deposit date: | 2012-03-26 | | Release date: | 2012-07-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.744 Å) | | Cite: | Watching DNA polymerase eta make a phosphodiester bond
Nature, 487, 2012
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4EWI
 | | Crystal structure of the NLRP4 Pyrin domain | | Descriptor: | CHLORIDE ION, NACHT, LRR and PYD domains-containing protein 4, ... | | Authors: | Eibl, C, Hessenberger, M, Puehringer, S, Page, R, Diederichs, K, Peti, W. | | Deposit date: | 2012-04-27 | | Release date: | 2012-09-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural and Functional Analysis of the NLRP4 Pyrin Domain.
Biochemistry, 51, 2012
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4FLJ
 | | Human MetAP1 with bengamide analog Y08, in Mn form | | Descriptor: | (E,2R,3R,4S,5R)-N-[[(3S)-1-cyclopropylcarbonylpiperidin-3-yl]methyl]-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide, MANGANESE (II) ION, Methionine aminopeptidase 1, ... | | Authors: | Ye, Q.Z, Xu, W. | | Deposit date: | 2012-06-14 | | Release date: | 2012-09-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases.
J.Med.Chem., 55, 2012
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4FQA
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4FYG
 | | Structural basis for substrate recognition by a novel Legionella phosphoinositide phosphatase | | Descriptor: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate, SidF, inhibitor of growth family, ... | | Authors: | Hsu, F.S, Zhu, W, Brennan, L, Tao, L, Luo, Z.Q, Mao, Y. | | Deposit date: | 2012-07-04 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.822 Å) | | Cite: | Structural basis for substrate recognition by a unique Legionella phosphoinositide phosphatase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4G1E
 | | Crystal structure of integrin alpha V beta 3 with coil-coiled tag. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Dong, X, Mi, L, Zhu, J, Wang, W, Luo, B, Springer, T.A. | | Deposit date: | 2012-07-10 | | Release date: | 2012-12-12 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | AlphaV Beta3 Integrin Crystal Structures and their Functional Implications
Biochemistry, 51, 2012
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4GBX
 | | Crystal structure of an immune complex at pH 6.5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DM alpha chain, ... | | Authors: | Sethi, D.K, Pos, W, Wucherpfennig, K.W. | | Deposit date: | 2012-07-28 | | Release date: | 2013-01-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of the HLA-DM-HLA-DR1 Complex Defines Mechanisms for Rapid Peptide Selection.
Cell(Cambridge,Mass.), 151, 2012
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4FVD
 | | Crystal structure of EV71 2A proteinase C110A mutant in complex with substrate | | Descriptor: | 10-mer peptide from 2A proteinase, 2A proteinase, ZINC ION | | Authors: | Cai, Q, Muhammad, Y, Liu, W, Gao, Z, Peng, X, Cai, Y, Wu, C, Zheng, Q, Li, J, Lin, T. | | Deposit date: | 2012-06-29 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Conformational Plasticity of 2A Proteinase from Enterovirus 71
J.Virol., 87, 2013
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4FVB
 | | Crystal structure of EV71 2A proteinase C110A mutant | | Descriptor: | 2A proteinase, ZINC ION | | Authors: | Cai, Q, Muhammad, Y, Liu, W, Gao, Z, Peng, X, Cai, Y, Wu, C, Zheng, Q, Li, J, Lin, T. | | Deposit date: | 2012-06-29 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conformational Plasticity of 2A Proteinase from Enterovirus 71
J.Virol., 87, 2013
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4FYP
 | | Crystal Structure of Plant Vegetative Storage Protein | | Descriptor: | MAGNESIUM ION, Vegetative storage protein 1 | | Authors: | Chen, Y, Wei, J, Wang, M, Gong, W, Zhang, M. | | Deposit date: | 2012-07-05 | | Release date: | 2013-06-26 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of Arabidopsis VSP1 reveals the plant class C-like phosphatase structure of the DDDD superfamily of phosphohydrolases
Plos One, 7, 2012
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4G6H
 | | Crystal structure of NDH with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ... | | Authors: | Li, W, Feng, Y, Ge, J, Yang, M. | | Deposit date: | 2012-07-19 | | Release date: | 2012-10-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.262 Å) | | Cite: | Structural insight into the type-II mitochondrial NADH dehydrogenases.
Nature, 491, 2012
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4GF6
 | | crystal structure of GFP with cuprum bound at the Incorporated metal Chelating Amino Acid PYZ151 | | Descriptor: | CALCIUM ION, COPPER (II) ION, green fluorescent protein | | Authors: | Dong, J, Liu, X, Li, J, Wang, J, Gong, W. | | Deposit date: | 2012-08-03 | | Release date: | 2012-08-29 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Genetic incorporation of a metal-chelating amino Acid as a probe for protein electron transfer.
Angew.Chem.Int.Ed.Engl., 51, 2012
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