2OHT
 
 | | X-ray crystal structure of beta secretase complexed with compound 7 | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | | Authors: | Patel, S. | | Deposit date: | 2007-01-10 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.
J.Med.Chem., 50, 2007
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2HAH
 | | The structure of FIV 12S protease in complex with TL-3 | | Descriptor: | Protease, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | Authors: | Heaslet, H, Lin, Y.C, Elder, J.H, Stout, C.D. | | Deposit date: | 2006-06-12 | | Release date: | 2007-02-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of an FIV/HIV chimeric protease complexed with the broad-based inhibitor, TL-3.
Retrovirology, 4, 2007
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2OJI
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2OK1
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2HED
 | | CONTRIBUTION OF WATER MOLECULES IN THE INTERIOR OF A PROTEIN TO THE CONFORMATIONAL STABILITY | | Descriptor: | LYSOZYME, SODIUM ION | | Authors: | Takano, K, Funahashi, J, Yamagata, Y, Fujii, S, Yutani, K. | | Deposit date: | 1997-09-16 | | Release date: | 1998-01-14 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Contribution of water molecules in the interior of a protein to the conformational stability.
J.Mol.Biol., 274, 1997
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2OMG
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2H73
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2ONL
 | | Crystal Structure of the p38a-MAPKAP kinase 2 Heterodimer | | Descriptor: | MAP kinase-activated protein kinase 2, Mitogen-activated protein kinase 14 | | Authors: | Ter Haar, E. | | Deposit date: | 2007-01-24 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | Crystal structure of the P38alpha-MAPKAP kinase 2 heterodimer.
J.Biol.Chem., 282, 2007
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2GNL
 | | PKA threefold mutant model of Rho-kinase with inhibitor H-1152P | | Descriptor: | (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, cAMP-dependent protein kinase inhibitor alpha, cAMP-dependent protein kinase, ... | | Authors: | Bonn, S, Herrero, S, Breitenlechner, C.B, Engh, R.A, Gassel, M, Bossemeyer, D. | | Deposit date: | 2006-04-10 | | Release date: | 2006-05-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity
J.Biol.Chem., 281, 2006
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2OLG
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2OLI
 | | Crystal structure of the complex formed between a group II phospholipase A2 and an indole derivative at 2.2 A resolution | | Descriptor: | INDOLYLPROPIONIC ACID, Phospholipase A2 VRV-PL-VIIIa | | Authors: | Kumar, S, Singh, N, Sharma, S, Kaur, P, Singh, T.P. | | Deposit date: | 2007-01-19 | | Release date: | 2007-02-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of the complex formed between a group II phospholipase A2 and an indole derivative at 2.2 A resolution
To be Published
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7A4Q
 | | The Crystal structure of RO4613269 bound to CK2alpha | | Descriptor: | 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one, Casein kinase II subunit alpha | | Authors: | Brear, P, Hyvonen, M. | | Deposit date: | 2020-08-20 | | Release date: | 2022-06-08 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Chemical proteomics reveals the target landscape of 1,000 kinase inhibitors.
Nat.Chem.Biol., 2023
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2GQX
 | | Crystal structure of cytochrome p450cam mutant (f87w/y96f/l244a/v247l/c334a) with pentachlorobenzene | | Descriptor: | 1,2,3,4,5-PENTACHLOROBENZENE, Cytochrome P450-cam, POTASSIUM ION, ... | | Authors: | Rao, Z, Wong, L.L, Xu, F, Bell, S.G. | | Deposit date: | 2006-04-22 | | Release date: | 2007-04-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-activity correlations in pentachlorobenzene oxidation by engineered cytochrome P450cam
Protein Eng.Des.Sel., 20, 2007
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2OLZ
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2GWK
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2OQU
 | | High Pressure Cryocooling of Capillary Sample Cryoprotection and Diffraction Phasing at Long Wavelengths | | Descriptor: | CALCIUM ION, Elastase-1, SULFATE ION, ... | | Authors: | Kim, C.U, Hao, Q, Gruner, S.M. | | Deposit date: | 2007-02-01 | | Release date: | 2007-05-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-pressure cryocooling for capillary sample cryoprotection and diffraction phasing at long wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
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2GZY
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4J53
 | | Crystal structure of PLK1 in complex with TAK-960 | | Descriptor: | 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide, ACETATE ION, Serine/threonine-protein kinase PLK1, ... | | Authors: | Hosfield, D.J, Skene, R.J. | | Deposit date: | 2013-02-07 | | Release date: | 2013-05-29 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of TAK-960: An orally available small molecule inhibitor of polo-like kinase 1 (PLK1).
Bioorg.Med.Chem.Lett., 23, 2013
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2GV5
 | | crystal structure of Sfi1p/Cdc31p complex | | Descriptor: | Cell division control protein 31, Sfi1p | | Authors: | Li, S, Sandercock, A.M, Conduit, P.T, Robinson, C.V, Williams, R.L, Kilmartin, J.V. | | Deposit date: | 2006-05-02 | | Release date: | 2006-06-27 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural role of Sfi1p-centrin filaments in budding yeast spindle pole body duplication.
J.Cell Biol., 173, 2006
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2GWJ
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2OLP
 | | Structure and ligand selection of hemoglobin II from Lucina pectinata | | Descriptor: | Hemoglobin II, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Gavira, J.A, Camara-Artigas, A, de Jesus, W, Lopez-Garriga, J, Garcia-Ruiz, J.M. | | Deposit date: | 2007-01-19 | | Release date: | 2007-12-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.932 Å) | | Cite: | Structure and Ligand Selection of Hemoglobin II from Lucina pectinata
J.Biol.Chem., 283, 2008
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2OM0
 | | Structure of human insulin in presence of urea at pH 6.5 | | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | | Authors: | Norrman, M, Schluckebier, G. | | Deposit date: | 2007-01-20 | | Release date: | 2007-12-04 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystallographic characterization of two novel crystal forms of human insulin induced by chaotropic agents and a shift in pH.
Bmc Struct.Biol., 7, 2007
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2OMU
 | | Crystal structure of InlA G194S+S Y369S/hEC1 complex | | Descriptor: | CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ... | | Authors: | Wollert, T, Heinz, D.W, Schubert, W.D. | | Deposit date: | 2007-01-23 | | Release date: | 2007-08-28 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Thermodynamically reengineering the listerial invasion complex InlA/E-cadherin.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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4J8M
 | | Aurora A in complex with CD532 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea, Aurora kinase A, ... | | Authors: | Meyerowitz, J.G, Gustafson, W.C, Shokat, K.M, Weiss, W.A. | | Deposit date: | 2013-02-14 | | Release date: | 2014-09-10 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.853 Å) | | Cite: | Drugging MYCN through an Allosteric Transition in Aurora Kinase A.
Cancer Cell, 26, 2014
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2H6Z
 | | Crystal Structure of Thioredoxin Mutant E44D in Hexagonal (p61) Space Group | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Thioredoxin | | Authors: | Gavira, J.A, Godoy-Ruiz, R, Ibarra-Molero, B, Sanchez-Ruiz, J.M. | | Deposit date: | 2006-06-01 | | Release date: | 2007-05-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A stability pattern of protein hydrophobic mutations that reflects evolutionary structural optimization.
Biophys.J., 89, 2005
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