3UI6
 
 | | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT | | 分子名称: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ... | | 著者 | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | | 登録日 | 2011-11-04 | | 公開日 | 2012-11-07 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (0.89 Å) | | 主引用文献 | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT
To be Published
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5ALM
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | (3R)-1-(cyclopropylmethyl)-3-methyl-3-(4-methylsulfanylphenoxy)pyrrolidine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-08 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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6FH6
 | | Crystal Structure of BAZ2B bromodomain in complex with 1-methylpyridinone compound 1 | | 分子名称: | Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-(2-azanylethyl)-1-methyl-6-oxidanylidene-pyridine-3-carboxamide | | 著者 | Dalle Vedove, A, Spiliotopoulos, D, Lolli, G, Caflisch, A. | | 登録日 | 2018-01-12 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.082 Å) | | 主引用文献 | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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3UWI
 | | Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | | 著者 | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | | 登録日 | 2011-12-02 | | 公開日 | 2012-12-05 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
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3V09
 | | Crystal structure of Rabbit Serum Albumin | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Majorek, K.A, Porebski, P.J, Chruszcz, M, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | 登録日 | 2011-12-07 | | 公開日 | 2012-01-18 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structural and immunologic characterization of bovine, horse, and rabbit serum albumins.
Mol.Immunol., 52, 2012
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6UFB
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5A6O
 | | Crystal structure of the apo form of the unphosphorylated human death associated protein kinase 3 (DAPK3) | | 分子名称: | DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, S-1,2-PROPANEDIOL | | 著者 | Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G. | | 登録日 | 2015-06-30 | | 公開日 | 2015-10-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | De Novo Fragment Design for Drug Discovery and Chemical Biology.
Angew.Chem.Int.Ed.Engl., 54, 2015
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2XVN
 | | A. fumigatus chitinase A1 phenyl-methylguanylurea complex | | 分子名称: | 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA, ASPERGILLUS FUMIGATUS CHITINASE A1, CHLORIDE ION | | 著者 | Rush, C.L, Schuttelkopf, A.W, Hurtado-Guerrero, R, Blair, D.E, Ibrahim, A.F.M, Desvergnes, S, Eggleston, I.M, van Aalten, D.M.F. | | 登録日 | 2010-10-26 | | 公開日 | 2010-11-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
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5ALD
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | 5-cyclohexyl-1,3-dihydroindol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-08 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5ALK
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | 5-butyl-8,8-dimethyl-3,6,8,9-tetrahydropyrazolo[3,4-b]thiopyrano[4,3-d]pyridin-1-amine, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-08 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5AKL
 | | ligand complex structure of soluble epoxide hydrolase | | 分子名称: | BIFUNCTIONAL EPOXIDE HYDROLASE 2, N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE, SULFATE ION | | 著者 | Oster, L, Tapani, S, Xue, Y, Kack, H. | | 登録日 | 2015-03-03 | | 公開日 | 2015-05-13 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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5HZL
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4RCL
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6FGH
 | | Crystal Structure of BAZ2A bromodomain in complex with 3-amino-2-methylpyridine derivative 1 | | 分子名称: | 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2A | | 著者 | Dalle Vedove, A, Marchand, J.-R, Lolli, G, Caflisch, A. | | 登録日 | 2018-01-10 | | 公開日 | 2018-05-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains.
ChemMedChem, 13, 2018
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7JXU
 | | Structure of monobody 32 human MLKL pseudokinase domain complex | | 分子名称: | 1,2-ETHANEDIOL, Mixed lineage kinase domain-like protein, Monobody 32 | | 著者 | Meng, Y, Garnish, S.E, Koide, A, Koide, S, Czabotar, P.E, Murphy, J.M. | | 登録日 | 2020-08-28 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Conformational interconversion of MLKL and disengagement from RIPK3 precede cell death by necroptosis.
Nat Commun, 12, 2021
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5HMP
 | | Myosin Vc pre-powerstroke state | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, ... | | 著者 | Ropars, V, Pylypenko, O, Sweeney, H.L, Houdusse, A. | | 登録日 | 2016-01-16 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.397 Å) | | 主引用文献 | The myosin X motor is optimized for movement on actin bundles.
Nat Commun, 7, 2016
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3K6J
 | | Crystal structure of the dehydrogenase part of multifuctional enzyme 1 from C.elegans | | 分子名称: | PHOSPHATE ION, Protein F01G10.3, confirmed by transcript evidence, ... | | 著者 | Ouyang, Z, Zhang, K, Zhai, Y, Lu, J, Sun, F. | | 登録日 | 2009-10-09 | | 公開日 | 2010-10-13 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of the dehydrogenase part of multifuctional enzyme 1 from C.elegans
To be Published
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3UUO
 | | The discovery of potent, selectivity, and orally bioavailable pyrozoloquinolines as PDE10 inhibitors for the treatment of Schizophrenia | | 分子名称: | 6-methoxy-3,8-dimethyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-b]quinoline, MAGNESIUM ION, PHOSPHATE ION, ... | | 著者 | Ho, G.D, Yang, S, Smotryski, J, Bercovici, A, Nechuta, T, Smith, E.M, McElroy, W, Tan, Z, Tulshian, D, Mckittrick, B, Greenlee, W.J, Hruza, A, Xiao, L, Rindgen, D, Guzzi, M, Zhang, X, Bleickardt, C, Mullins, D, Hodgson, R. | | 登録日 | 2011-11-28 | | 公開日 | 2012-01-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | The discovery of potent, selective, and orally active pyrazoloquinolines as PDE10A inhibitors for the treatment of Schizophrenia.
Bioorg.Med.Chem.Lett., 22, 2012
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4ID2
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5HZ5
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1Q96
 | | Crystal structure of a mutant of the sarcin/ricin domain from rat 28S rRNA | | 分子名称: | SULFATE ION, sarcin/ricin 28S rRNA | | 著者 | Correll, C.C, Beneken, J, Plantinga, M.J, Lubbers, M, Chan, Y.L. | | 登録日 | 2003-08-22 | | 公開日 | 2003-11-25 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | The common and distinctive features of the bulged-G motif based on a 1.04 A resolution RNA structure
Nucleic Acids Res., 31, 2003
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5ADT
 | | Crystal structure of human tankyrase 2 in complex with OD73 | | 分子名称: | BICARBONATE ION, N-[3-chloranyl-4-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoyl]phenyl]-2-methyl-1,3-oxazole-5-carboxamide, SULFATE ION, ... | | 著者 | Haikarainen, T, Lehtio, L. | | 登録日 | 2015-08-24 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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7VZU
 | | The structure of GdmN Y82F mutant | | 分子名称: | 1,2-ETHANEDIOL, FE (III) ION, GdmN, ... | | 著者 | Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L. | | 登録日 | 2021-11-16 | | 公開日 | 2022-11-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
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3V3E
 | | Crystal Structure of the Human Nur77 Ligand-binding Domain | | 分子名称: | GLYCEROL, Nuclear receptor subfamily 4 group A member 1 | | 著者 | Zhang, Q, Shi, C, Yang, K, Chen, Y, Zhan, Y, Wu, Q, Lin, T. | | 登録日 | 2011-12-13 | | 公開日 | 2012-09-26 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | The orphan nuclear receptor Nur77 regulates LKB1 localization and activates AMPK
Nat.Chem.Biol., 8, 2012
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3UTO
 | | Twitchin kinase region from C.elegans (Fn31-NL-kin-CRD-Ig26) | | 分子名称: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Castelmur, E, Barbieri, S, Mayans, O. | | 登録日 | 2011-11-26 | | 公開日 | 2012-08-08 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Identification of an N-terminal inhibitory extension as the primary mechanosensory regulator of twitchin kinase.
Proc.Natl.Acad.Sci.USA, 109, 2012
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