3EKR
 
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5CNK
 | | mglur3 with glutamate | | 分子名称: | GLUTAMIC ACID, IODIDE ION, Metabotropic glutamate receptor 3 | | 著者 | Monn, J.A, Clawson, D.K. | | 登録日 | 2015-07-17 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-02-15 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
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5CNJ
 | | mGlur2 with glutamate analog | | 分子名称: | (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Metabotropic glutamate receptor 2 | | 著者 | Monn, J.A, Clawson, D.K. | | 登録日 | 2015-07-17 | | 公開日 | 2015-09-09 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
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5CNI
 | | mGlu2 with Glutamate | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ... | | 著者 | Clawson, D.K, Atwell, S, Monn, J.A. | | 登録日 | 2015-07-17 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-02-15 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
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5CNM
 | | mGluR3 complexed with glutamate analog | | 分子名称: | (1R,2S,4R,5R,6R)-2-amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Monn, J.A, Clawson, D.K, McKinzie, D. | | 登録日 | 2015-07-17 | | 公開日 | 2015-09-09 | | 最終更新日 | 2015-10-07 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Synthesis and Pharmacological Characterization of C4-(Thiotriazolyl)-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1R,2S,4R,5R,6R)-2-Amino-4-(1H-1,2,4-triazol-3-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2812223), a Highly Potent, Functionally Selective mGlu2 Receptor Agonist.
J.Med.Chem., 58, 2015
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1T96
 | | r106g kdo8ps with pep | | 分子名称: | 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION, ... | | 著者 | Gatti, D.L. | | 登録日 | 2004-05-14 | | 公開日 | 2005-06-14 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
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8IM7
 | | Human gamma-secretase treated with ganglioside GM1 | | 分子名称: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zhou, R, Yang, G, Shi, Y. | | 登録日 | 2023-03-06 | | 公開日 | 2024-01-17 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Preferential Regulation of Gamma-Secretase-Mediated Cleavage of APP by Ganglioside GM1 Reveals a Potential Therapeutic Target for Alzheimer's Disease.
Adv Sci, 10, 2023
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1T99
 | | r106g kdo8ps without substrates | | 分子名称: | 2-dehydro-3-deoxyphosphooctonate aldolase, CADMIUM ION, PHOSPHATE ION | | 著者 | Gatti, D.L. | | 登録日 | 2004-05-16 | | 公開日 | 2005-06-14 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Effects of the Arg106==>Gly mutation on the catalytic and conformational cycle of Aquifex aeolicus KDO8P synthase.
To be Published
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8WB2
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8VF6
 | | Crystal structure of Serine/threonine-protein kinase 33 (STK33) Kinase Domain in complex with inhibitor CDD-2211 | | 分子名称: | Serine/threonine-protein kinase 33, {3-[([1,1'-biphenyl]-2-yl)ethynyl]-1H-indazol-5-yl}[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone | | 著者 | Ta, H.M, Kim, C, Ku, K.A, Matzuk, M.M. | | 登録日 | 2023-12-21 | | 公開日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Reversible male contraception by targeted inhibition of serine/threonine kinase 33.
Science, 384, 2024
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6IIM
 | | USP14 catalytic domain with IU1-206 | | 分子名称: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | | 著者 | Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W. | | 登録日 | 2018-10-07 | | 公開日 | 2018-12-12 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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6IIN
 | | USP14 catalytic domain with IU1-248 | | 分子名称: | 4-{3-[(4-hydroxypiperidin-1-yl)acetyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzonitrile, Ubiquitin carboxyl-terminal hydrolase 14 | | 著者 | Mei, Z.Q, Wang, J.W, Wang, F, Wang, Y.W. | | 登録日 | 2018-10-07 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.53 Å) | | 主引用文献 | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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6IIL
 | | USP14 catalytic domain bind to IU1-47 | | 分子名称: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14 | | 著者 | Mei, Z.Q, Wang, Y.W, Wang, F, Wang, J.W, He, W, Ding, S, Li, J.W. | | 登録日 | 2018-10-07 | | 公開日 | 2018-12-12 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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8HVU
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8HVV
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8HVX
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8HVZ
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8HVW
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2I0X
 | | Hypothetical protein PF1117 from Pyrococcus furiosus | | 分子名称: | Hypothetical protein PF1117 | | 著者 | Chen, L.Q, Fu, Z.-Q, Liu, Z.-J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2006-08-11 | | 公開日 | 2006-10-10 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Crystal Structure of Hypothetical Protein Pf1117 from Pyrococcus furiosus
To be Published
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4QQC
 | | Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain in Complex with FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations | | 分子名称: | Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, SULFATE ION | | 著者 | Huang, Z, Mohammadi, M. | | 登録日 | 2014-06-27 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4R6V
 | | Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations | | 分子名称: | Fibroblast growth factor receptor 4, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide, SULFATE ION | | 著者 | Huang, Z, Mohammadi, M. | | 登録日 | 2014-08-26 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.353 Å) | | 主引用文献 | Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4RA4
 | | Crystal Structure of Human Protein Kinase C Alpha in Complex with Compound 28 ((R)-6-((3S,4S)-1,3-Dimethyl-piperidin-4-yl)-7-(2-fluoro-phenyl)-4-methyl-2,10-dihydro-9-oxa-1,2,4a-triaza-phenanthren-3-one) | | 分子名称: | (1R)-9-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-8-(2-fluorophenyl)-1-methyl-3,5-dihydro[1,2,4]triazino[3,4-c][1,4]benzoxazin-2(1H)-one, Protein kinase C | | 著者 | Argiriadi, M.A, George, D.M. | | 登録日 | 2014-09-09 | | 公開日 | 2014-10-08 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | Optimized Protein Kinase C theta (PKC theta ) Inhibitors Reveal Only Modest Anti-inflammatory Efficacy in a Rodent Model of Arthritis.
J.Med.Chem., 58, 2015
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6J04
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6J1L
 | | Crystal Structure Analysis of the ROR gamma(C455E) | | 分子名称: | 2-[4-(ethylsulfonyl)phenyl]-N-[2'-fluoro-4'-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)[1,1'-biphenyl]-4-yl]acetamide, Nuclear receptor ROR-gamma | | 著者 | zhang, Y, Li, C.C, wu, X.S. | | 登録日 | 2018-12-28 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable ROR gamma Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer.
J.Med.Chem., 62, 2019
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4YTF
 | | Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor for the Treatment of Autoimmune Diseases | | 分子名称: | N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide, Tyrosine-protein kinase JAK2 | | 著者 | Farmer, L, Ledeboer, M.W, Zuccola, H.J. | | 登録日 | 2015-03-17 | | 公開日 | 2015-08-12 | | 最終更新日 | 2015-10-07 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Discovery of VX-509 (Decernotinib): A Potent and Selective Janus Kinase 3 Inhibitor for the Treatment of Autoimmune Diseases.
J.Med.Chem., 58, 2015
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