3V01
 
 | | Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | 著者 | Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. | | 登録日 | 2011-12-07 | | 公開日 | 2012-05-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.705 Å) | | 主引用文献 | Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
J.Med.Chem., 55, 2012
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3I5Z
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1YKX
 | | Effect of alcohols on protein hydration | | 分子名称: | CHLORIDE ION, ETHANOL, Lysozyme C, ... | | 著者 | Deshpande, A, Nimsadkar, S, Mande, S.C. | | 登録日 | 2005-01-18 | | 公開日 | 2005-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Effect of alcohols on protein hydration: crystallographic analysis of hen egg-white lysozyme in the presence of alcohols.
Acta Crystallogr.,Sect.D, 61, 2005
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3UOJ
 | | Aurora A in complex with RPM1715 | | 分子名称: | 4-({4-[(2-cyanophenyl)amino]pyrimidin-2-yl}amino)benzoic acid, Aurora kinase A | | 著者 | Martin, M.P, Zhu, J.-Y, Schonbrunn, E. | | 登録日 | 2011-11-16 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.9003 Å) | | 主引用文献 | A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A.
Acs Chem.Biol., 7, 2012
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1YKY
 | | Effect of alcohols on protein hydration | | 分子名称: | 1-BUTANOL, CHLORIDE ION, Lysozyme C, ... | | 著者 | Deshpande, A, Nimsadkar, S, Mande, S.C. | | 登録日 | 2005-01-18 | | 公開日 | 2005-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Effect of alcohols on protein hydration: crystallographic analysis of hen egg-white lysozyme in the presence of alcohols.
Acta Crystallogr.,Sect.D, 61, 2005
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2CDT
 | | alpha-SPECTRIN SH3 DOMAIN A56S MUTANT | | 分子名称: | SPECTRIN ALPHA CHAIN | | 著者 | Casares, S, Camara-Artigas, A, Vega, M.C, Lopez-Mayorga, O, Conejero-Lara, F. | | 登録日 | 2006-01-27 | | 公開日 | 2007-02-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | | 主引用文献 | Cooperative Propagation of Local Stability Changes from Low-Stability and High-Stability Regions in a SH3 Domain.
Proteins: Struct., Funct., Bioinf., 67, 2007
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2CEM
 | | P1' Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold | | 分子名称: | POL PROTEIN, {(1S)-1-[N'-[(2S)-2-HYDROXY-2-((1S,2R)-2-HYDROXY-INDAN-1-YLCARBAMOYL)-3-PHENYL-PROPYL]-N'-[4-(PYRIDINE-2-YL)-BENZYL]-HYDRAZINOCARBONYL]-2,2-DIMETHYL-PROPYL}-CARBAMIC ACID METHYL ESTER | | 著者 | Ginman, N, Ekegren, J.K, Johansson, A, Wallberg, H, Larhed, M, Samuelsson, B, Hallberg, A, Unge, T. | | 登録日 | 2006-02-08 | | 公開日 | 2007-02-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Microwave-Accelerated Synthesis of P1'-Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold.
J.Med.Chem., 49, 2006
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1K85
 | | Solution structure of the fibronectin type III domain from Bacillus circulans WL-12 Chitinase A1. | | 分子名称: | CHITINASE A1 | | 著者 | Jee, J.G, Ikegami, T, Hashimoto, M, Kawabata, T, Ikeguchi, M, Watanabe, T, Shirakawa, M. | | 登録日 | 2001-10-23 | | 公開日 | 2002-12-18 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of the Fibronectin Type III Domain
from Bacillus circulans WL-12 Chitinase A1
J.Biol.Chem., 277, 2002
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1YKZ
 | | Effect of alcohols on protein hydration | | 分子名称: | CHLORIDE ION, Lysozyme C, PENTANAL, ... | | 著者 | Deshpande, A, Nimsadkar, S, Mande, S.C. | | 登録日 | 2005-01-18 | | 公開日 | 2005-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Effect of alcohols on protein hydration: crystallographic analysis of hen egg-white lysozyme in the presence of alcohols.
Acta Crystallogr.,Sect.D, 61, 2005
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1K9I
 | | Complex of DC-SIGN and GlcNAc2Man3 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, CALCIUM ION, mDC-SIGN1B type I isoform | | 著者 | Feinberg, H, Mitchell, D.A, Drickamer, K, Weis, W.I. | | 登録日 | 2001-10-29 | | 公開日 | 2001-12-21 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural basis for selective recognition of oligosaccharides by DC-SIGN and DC-SIGNR.
Science, 294, 2001
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1YJB
 | | SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) (MUTANT WITH MET 50 REPLACED BY PHE, ASN 76 REPLACED BY ASP, GLY 169 REPLACED BY ALA, GLN 206 REPLACED BY CYS, ASN 218 REPLACED BY SER AND LYS 256 REPLACED BY TYR) (M50F, N76D, G169A, Q206C, N218S, AND K256Y) IN 35% DIMETHYLFORMAMIDE | | 分子名称: | CALCIUM ION, SUBTILISIN 8397+1 | | 著者 | Kidd, R.D, Farber, G.K. | | 登録日 | 1996-01-16 | | 公開日 | 1996-07-11 | | 最終更新日 | 2021-11-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Breaking the low barrier hydrogen bond in a serine protease.
Protein Sci., 8, 1999
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2CIB
 | | High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors | | 分子名称: | (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE, CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Podust, L.M, Kim, Y, Yermalitskaya, L.V, Von Kries, J.P, Waterman, M.R. | | 登録日 | 2006-03-17 | | 公開日 | 2007-07-03 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography
Antimicrob.Agents Chemother., 51, 2007
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1KDM
 | | THE CRYSTAL STRUCTURE OF THE HUMAN SEX HORMONE-BINDING GLOBULIN (TETRAGONAL CRYSTAL FORM) | | 分子名称: | 5-ALPHA-DIHYDROTESTOSTERONE, CALCIUM ION, sex hormone-binding globulin | | 著者 | Grishkovskaya, I, Avvakumov, G.V, Hammond, G.L, Muller, Y.A. | | 登録日 | 2001-11-13 | | 公開日 | 2002-05-15 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Resolution of a disordered region at the entrance of the human sex hormone-binding globulin steroid-binding site.
J.Mol.Biol., 318, 2002
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2VTS
 | | Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design. | | 分子名称: | 5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J. | | 登録日 | 2008-05-15 | | 公開日 | 2008-08-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
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1YL0
 | | Effect of alcohols on protein hydration | | 分子名称: | CHLORIDE ION, ISOPROPYL ALCOHOL, Lysozyme C, ... | | 著者 | Deshpande, A, Nimsadkar, S, Mande, S.C. | | 登録日 | 2005-01-18 | | 公開日 | 2005-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Effect of alcohols on protein hydration: crystallographic analysis of hen egg-white lysozyme in the presence of alcohols.
Acta Crystallogr.,Sect.D, 61, 2005
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2C6M
 | | Crystal structure of the human CDK2 complexed with the triazolopyrimidine inhibitor | | 分子名称: | 4-{[5-(CYCLOHEXYLOXY)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-YL]AMINO}BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Richardson, C.M, Dokurno, P, Murray, J.B, Surgenor, A.E. | | 登録日 | 2005-11-10 | | 公開日 | 2005-12-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Triazolo[1,5-A]Pyrimidines as Novel Cdk2 Inhibitors: Protein Structure-Guided Design and Sar.
Bioorg.Med.Chem.Lett., 16, 2006
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3UIU
 | | Crystal structure of Apo-PKR kinase domain | | 分子名称: | Interferon-induced, double-stranded RNA-activated protein kinase | | 著者 | Li, F, Li, S, Yang, X, Shen, Y, Zhang, T. | | 登録日 | 2011-11-06 | | 公開日 | 2012-11-07 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.903 Å) | | 主引用文献 | Crystal structure of Apo-PKR kinase domain
TO BE PUBLISHED
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2CBZ
 | | Structure of the human Multidrug Resistance Protein 1 Nucleotide Binding Domain 1 | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MULTIDRUG RESISTANCE-ASSOCIATED PROTEIN 1 | | 著者 | Ramaen, O, Leulliot, N, Sizun, C, Ulryck, N, Pamlard, O, Lallemand, J.-Y, van Tilbeurgh, H, Jacquet, E. | | 登録日 | 2006-01-10 | | 公開日 | 2006-05-17 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure of the Human Multidrug Resistance Protein 1 Nucleotide Binding Domain 1 Bound to Mg(2+)/ATP Reveals a Non-Productive Catalytic Site.
J.Mol.Biol., 359, 2006
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1JVV
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1YL1
 | | Effect of alcohols on protein hydration | | 分子名称: | Lysozyme C, SODIUM ION, TRIFLUOROETHANOL | | 著者 | Deshpande, A.A, Nimsadkar, S, Mande, S.C. | | 登録日 | 2005-01-18 | | 公開日 | 2005-07-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Effect of alcohols on protein hydration: crystallographic analysis of hen egg-white lysozyme in the presence of alcohols.
Acta Crystallogr.,Sect.D, 61, 2005
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2VWI
 | | Structure of the OSR1 kinase, a hypertension drug target | | 分子名称: | GOLD ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Villa, F, Deak, M, Alessi, D.R, vanAalten, D.M.F. | | 登録日 | 2008-06-25 | | 公開日 | 2008-07-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structure of the Osr1 Kinase, a Hypertension Drug Target.
Proteins, 73, 2008
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1JMT
 | | X-ray Structure of a Core U2AF65/U2AF35 Heterodimer | | 分子名称: | HEXANE-1,6-DIOL, SPLICING FACTOR U2AF 35 KDA SUBUNIT, SPLICING FACTOR U2AF 65 KDA SUBUNIT | | 著者 | Kielkopf, C.L, Rodionova, N.A, Green, M.R, Burley, S.K. | | 登録日 | 2001-07-19 | | 公開日 | 2001-09-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A novel peptide recognition mode revealed by the X-ray structure of a core U2AF35/U2AF65 heterodimer.
Cell(Cambridge,Mass.), 106, 2001
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1JXB
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2CEJ
 | | P1' Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold | | 分子名称: | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE, POL PROTEIN | | 著者 | Ginman, N, Ekegren, J.K, Johansson, A, Wallberg, H, Larhed, M, Samuelsson, B, Hallberg, A, Unge, T. | | 登録日 | 2006-02-07 | | 公開日 | 2007-02-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Microwave-Accelerated Synthesis of P1'-Extended HIV-1 Protease Inhibitors Encompassing a Tertiary Alcohol in the Transition-State Mimicking Scaffold
J.Med.Chem., 49, 2006
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1JZM
 | | Crystal Structure of Scapharca inaequivalvis HbI, I114M Mutant in the Absence of ligand. | | 分子名称: | GLOBIN I - ARK SHELL, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E. | | 登録日 | 2001-09-16 | | 公開日 | 2001-12-19 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Restricting the Ligand-Linked Heme Movement in Scapharca Dimeric Hemoglobin Reveals Tight Coupling between Distal and Proximal
Contributions to Cooperativity.
Biochemistry, 40, 2001
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