3MTS
 
 | | Chromo Domain of Human Histone-Lysine N-Methyltransferase SUV39H1 | | 分子名称: | Histone-lysine N-methyltransferase SUV39H1 | | 著者 | Lam, R, Li, Z, Wang, J, Crombet, L, Walker, J.R, Ouyang, H, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2010-04-30 | | 公開日 | 2010-06-30 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal Structure of the Human SUV39H1 Chromodomain and Its Recognition of Histone H3K9me2/3.
Plos One, 7, 2012
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5I29
 | | TAF1(2) bound to a pyrrolopyridone compound | | 分子名称: | CALCIUM ION, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1 | | 著者 | Tang, Y, Poy, F, Bellon, S.F. | | 登録日 | 2016-02-08 | | 公開日 | 2016-06-08 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
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5I80
 | | BRD4 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide) | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | | 著者 | Murray, J.M. | | 登録日 | 2016-02-18 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.4501 Å) | | 主引用文献 | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
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5I7Y
 | | BRD9 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide) | | 分子名称: | 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 9 | | 著者 | Murray, J.M. | | 登録日 | 2016-02-18 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.4514 Å) | | 主引用文献 | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
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5JRH
 | | Crystal structure of Salmonella enterica acetyl-CoA synthetase (Acs) in complex with cAMP and Coenzyme A | | 分子名称: | (R,R)-2,3-BUTANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Acetyl-coenzyme A synthetase, ... | | 著者 | Shen, L, Zhang, Y. | | 登録日 | 2016-05-06 | | 公開日 | 2016-12-21 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.644 Å) | | 主引用文献 | Cyclic AMP Inhibits the Activity and Promotes the Acetylation of Acetyl-CoA Synthetase through Competitive Binding to the ATP/AMP Pocket.
J. Biol. Chem., 292, 2017
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8VW5
 | | Crystal structure of Cbl-b TKB bound to compound 2 | | 分子名称: | CALCIUM ION, E3 ubiquitin-protein ligase CBL-B, MAGNESIUM ION, ... | | 著者 | Yu, C, Murray, J, Hsu, P.L. | | 登録日 | 2024-01-31 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding.
Acs Med.Chem.Lett., 15, 2024
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8VW4
 | | Crystal structure of Cbl-b TKB bound to compound 26 | | 分子名称: | (7-methoxy-2-{2-[(1S,3S,4S)-3-(3-methoxy-2-methyl-5-nitrophenyl)-1-methyl-5-oxo-1,5-dihydroimidazo[1,5-a]pyridin-2(3H)-yl]-2-oxoethoxy}quinolin-8-yl)acetic acid, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase CBL-B, ... | | 著者 | Yu, C, Murray, J, Hsu, P.L. | | 登録日 | 2024-01-31 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding.
Acs Med.Chem.Lett., 15, 2024
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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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5I88
 | | BRD4 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-N,N-dimethylbenzamide) | | 分子名称: | 1,2-ETHANEDIOL, 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide, Bromodomain-containing protein 4, ... | | 著者 | Murray, J.M. | | 登録日 | 2016-02-18 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
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5ISY
 | | Crystal structure of Nudix family protein with NAD | | 分子名称: | NADH pyrophosphatase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION | | 著者 | Zhang, D, Guan, Z, Zou, T, Yin, P. | | 登録日 | 2016-03-15 | | 公開日 | 2016-09-14 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.354 Å) | | 主引用文献 | Structural basis of prokaryotic NAD-RNA decapping by NudC
Cell Res., 26, 2016
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5I7X
 | | BRD9 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide) | | 分子名称: | Bromodomain-containing protein 9, N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide | | 著者 | Murray, J.M. | | 登録日 | 2016-02-18 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.1752 Å) | | 主引用文献 | Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
J.Med.Chem., 59, 2016
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2ERF
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2ES3
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4M59
 | | Crystal structure of the pentatricopeptide repeat protein PPR10 in complex with an 18-nt psaJ RNA element | | 分子名称: | Chloroplast pentatricopeptide repeat protein 10, PHOSPHATE ION, psaJ RNA | | 著者 | Yin, P, Li, Q, Yan, C, Liu, Y, Yan, N. | | 登録日 | 2013-08-08 | | 公開日 | 2013-10-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | Structural basis for the modular recognition of single-stranded RNA by PPR proteins.
Nature, 504, 2013
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3LAL
 | | Crystal structure of HIV-1 reverse transcriptase in complex with N1-ethyl pyrimidinedione non-nucleoside inhibitor | | 分子名称: | 3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile, HIV Reverse transcriptase, SULFATE ION | | 著者 | Lansdon, E.B, Mitchell, M.L. | | 登録日 | 2010-01-06 | | 公開日 | 2010-02-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
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3LAK
 | | Crystal structure of HIV-1 reverse transcriptase in complex with N1-heterocycle pyrimidinedione non-nucleoside inhibitor | | 分子名称: | 3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile, CHLORIDE ION, HIV Reverse transcriptase, ... | | 著者 | Lansdon, E.B, Mitchell, M.L. | | 登録日 | 2010-01-06 | | 公開日 | 2010-02-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | N1-Heterocyclic pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
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3LAM
 | | Crystal structure of HIV-1 reverse transcriptase in complex with N1-propyl pyrimidinedione non-nucleoside inhibitor | | 分子名称: | 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile, HIV Reverse transcriptase, SULFATE ION | | 著者 | Lansdon, E.B, Mitchell, M.L. | | 登録日 | 2010-01-06 | | 公開日 | 2010-02-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
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3LAN
 | | Crystal structure of HIV-1 reverse transcriptase in complex with N1-butyl pyrimidinedione non-nucleoside inhibitor | | 分子名称: | 3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile, HIV Reverse transcriptase, SULFATE ION | | 著者 | Lansdon, E.B, Mitchell, M.L. | | 登録日 | 2010-01-06 | | 公開日 | 2010-02-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010
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1YW7
 | | h-MetAP2 complexed with A444148 | | 分子名称: | 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | | 著者 | Park, C.H. | | 登録日 | 2005-02-17 | | 公開日 | 2006-02-21 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding.
J.Med.Chem., 49, 2006
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1YW9
 | | h-MetAP2 complexed with A849519 | | 分子名称: | 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | | 著者 | Park, C.H. | | 登録日 | 2005-02-17 | | 公開日 | 2006-02-21 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding.
J.Med.Chem., 49, 2006
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1YW8
 | | h-MetAP2 complexed with A751277 | | 分子名称: | 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8-TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID, MANGANESE (II) ION, Methionine aminopeptidase 2 | | 著者 | Park, C.H. | | 登録日 | 2005-02-17 | | 公開日 | 2006-02-21 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding.
J.Med.Chem., 49, 2006
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5ZUF
 | | Fit R10 Fab coordinates into the cryo-EM of EV71 in complex with A9 | | 分子名称: | Capsid protein VP1, R10 ANTIBODY HEAVY CHAIN, R10 ANTIBODY LIGHT CHAIN, ... | | 著者 | Wang, X, Zhu, L, Wang, N. | | 登録日 | 2018-05-07 | | 公開日 | 2019-12-25 | | 最終更新日 | 2024-09-25 | | 実験手法 | ELECTRON MICROSCOPY (6.8 Å) | | 主引用文献 | Neutralization Mechanisms of Two Highly Potent Antibodies against Human Enterovirus 71.
Mbio, 9, 2018
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