9BKO
 
 | | DHODH in complex with Ligand 26 | | 分子名称: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | Shaffer, P.L. | | 登録日 | 2024-04-29 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
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8YM7
 | | Crystal structure of Lysine Specific Demethylase 1 (LSD1) with JH-45 | | 分子名称: | 4-[5-(4-azanylpiperidin-1-yl)-8-(4-methylphenyl)pyrido[3,4-b]pyrazin-7-yl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1A, ... | | 著者 | Zhiyan, D, Danyan, C, Hong, J, Tongchao, L, Bing, X. | | 登録日 | 2024-03-08 | | 公開日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Discovery of Novel LSD1 Inhibitors for the Treatment of Autosomal Dominant Polycystic Kidney Disease
To Be Published
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9BKM
 | | DHODH in complex with Ligand 10 | | 分子名称: | (2M,6P)-2-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | 著者 | Shaffer, P.L. | | 登録日 | 2024-04-29 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.08 Å) | | 主引用文献 | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 67, 2024
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8GSQ
 | | Structure based studies reveal an atypical antipsychotic drug candidate - Paliperidone as a potent hSOD1 modulator with implications in ALS treatment. | | 分子名称: | (9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, GLYCEROL, Superoxide dismutase [Cu-Zn], ... | | 著者 | Aouti, S, Padmanabhan, B. | | 登録日 | 2022-09-06 | | 公開日 | 2023-06-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-based discovery of an antipsychotic drug, paliperidone, as a modulator of human superoxide dismutase 1: a potential therapeutic target in amyotrophic lateral sclerosis.
Acta Crystallogr D Struct Biol, 79, 2023
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8AXX
 | | Expanded Coxsackievirus A9 after treatment with endosomal ionic buffer | | 分子名称: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | | 著者 | Domanska, A, Plavec, Z, Ruokolainen, V, Loflund, B, Marjomaki, V.S, Butcher, S.J. | | 登録日 | 2022-09-01 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural Studies Reveal that Endosomal Cations Promote Formation of Infectious Coxsackievirus A9 A-Particles, Facilitating RNA and VP4 Release.
J.Virol., 96, 2022
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8AW6
 | | Expanded Coxsackievirus A9 after 0.01% faf-BSA treatment | | 分子名称: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3 | | 著者 | Domanska, A, Plavec, Z, Ruokolainen, V, Loflund, B, Marjomaki, V.S, Butcher, S.J. | | 登録日 | 2022-08-29 | | 公開日 | 2022-10-26 | | 最終更新日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structural Studies Reveal that Endosomal Cations Promote Formation of Infectious Coxsackievirus A9 A-Particles, Facilitating RNA and VP4 Release.
J.Virol., 96, 2022
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8JWE
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3F5P
 | | Complex Structure of Insulin-like Growth Factor Receptor and 3-Cyanoquinoline Inhibitor | | 分子名称: | 4-[[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-[3-(2-hydroxyethyl-methyl-amino)propoxy]-6-methoxy-quinoline-3-carbonitrile, Insulin-like growth factor 1 receptor | | 著者 | Xu, W, Miller, L.M, Mayer, S.C, Berger, D.M, Boschelli, D.H, Boschelli, F. | | 登録日 | 2008-11-04 | | 公開日 | 2008-12-30 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Lead identification to generate 3-cyanoquinoline inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment
Bioorg.Med.Chem.Lett., 19, 2009
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7FEF
 | | Crystal structure of AtMBD6 with DNA | | 分子名称: | DNA (5'-D(*GP*CP*CP*AP*AP*(5CM)P*GP*TP*TP*GP*GP*C)-3'), Methyl-CpG-binding domain-containing protein 6 | | 著者 | Wu, Z.B, Liu, K, Min, J.R. | | 登録日 | 2021-07-19 | | 公開日 | 2021-12-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs.
J.Mol.Biol., 434, 2022
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7FEO
 | | Crystal structure of AtMBD5 MBD domain | | 分子名称: | Methyl-CpG-binding domain-containing protein 5, SULFATE ION | | 著者 | Zhou, M.Q, Wu, Z.B, Liu, K, Min, J.R, Structural Genomics Consortium (SGC) | | 登録日 | 2021-07-21 | | 公開日 | 2021-12-29 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs.
J.Mol.Biol., 434, 2022
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1JS6
 | | Crystal Structure of DOPA decarboxylase | | 分子名称: | DOPA decarboxylase, PYRIDOXAL-5'-PHOSPHATE | | 著者 | Burkhard, P, Dominici, P, Borri-Voltattorni, C, Jansonius, J.N, Malashkevich, V.N. | | 登録日 | 2001-08-16 | | 公開日 | 2001-10-26 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural insight into Parkinson's disease treatment from drug-inhibited DOPA decarboxylase.
Nat.Struct.Biol., 8, 2001
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1GOS
 | | Human Monoamine Oxidase B | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, MONOAMINE OXIDASE, N-[(E)-METHYL](PHENYL)-N-[(E)-2-PROPENYLIDENE]METHANAMINIUM | | 著者 | Binda, C, Newton-Vinson, P, Hubalek, F, Edmondson, D.E, Mattevi, A. | | 登録日 | 2001-10-26 | | 公開日 | 2001-11-29 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structure of Human Monoamine Oxidase B, a Drug Target for the Treatment of Neurological Disorders
Nat.Struct.Biol., 9, 2001
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1GQR
 | | ACETYLCHOLINESTERASE (E.C. 3.1.1.7) COMPLEXED WITH RIVASTIGMINE | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOL, ACETYLCHOLINESTERASE, ... | | 著者 | Raves, M.L, Harel, M, Silman, I, Sussman, J.L. | | 登録日 | 2001-12-04 | | 公開日 | 2002-03-15 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Kinetic and Structural Studies on the Interaction of Cholinesterases with the Anti-Alzheimer Drug Rivastigmine
Biochemistry, 41, 2002
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1H00
 | | CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor | | 分子名称: | (2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Beattie, J.F, Breault, G.A, Ellston, R.P.A, Green, S, Jewsbury, P.J, Midgley, C.J, Naven, R.T, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | | 登録日 | 2002-06-10 | | 公開日 | 2003-07-11 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
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1H01
 | | CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | | 分子名称: | (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL, CYCLIN-DEPENDENT KINASE 2, ... | | 著者 | Breault, G.A, Ellston, R.P.A, Green, S, James, S.R, Jewsbury, P.J, Midgley, C.J, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | | 登録日 | 2002-06-10 | | 公開日 | 2003-07-11 | | 最終更新日 | 2011-10-19 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
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1H08
 | | CDK2 in complex with a disubstituted 2, 4-bis anilino pyrimidine CDK4 inhibitor | | 分子名称: | (2R)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, (2S)-1-{4-[(4-ANILINO-5-BROMOPYRIMIDIN-2-YL)AMINO]PHENOXY}-3-(DIMETHYLAMINO)PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2, ... | | 著者 | Breault, G.A, Ellston, R.P.A, Green, S, James, S.R, Jewsbury, P.J, Midgley, C.J, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | | 登録日 | 2002-06-11 | | 公開日 | 2003-07-11 | | 最終更新日 | 2011-10-12 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
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1PAH
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1H07
 | | CDK2 in complex with a disubstituted 4, 6-bis anilino pyrimidine CDK4 inhibitor | | 分子名称: | ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE, ((2-BROMO-4-METHYLPHENYL){6-[(4-{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)ACETONITRILE, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Beattie, J.F, Breault, G.A, Ellston, R.P.A, Green, S, Jewsbury, P.J, Midgley, C.J, Naven, R.T, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | | 登録日 | 2002-06-11 | | 公開日 | 2003-07-11 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
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1JS3
 | | Crystal structure of dopa decarboxylase in complex with the inhibitor carbidopa | | 分子名称: | CARBIDOPA, DOPA decarboxylase, PYRIDOXAL-5'-PHOSPHATE, ... | | 著者 | Burkhard, P, Dominici, P, Borri-Voltattorni, C, Jansonius, J.N, Malashkevich, V.N. | | 登録日 | 2001-08-16 | | 公開日 | 2001-10-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Structural insight into Parkinson's disease treatment from drug-inhibited DOPA decarboxylase.
Nat.Struct.Biol., 8, 2001
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1TFT
 | | NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3 domain of XIAP | | 分子名称: | 1-[3,3-DIMETHYL-2-(2-METHYLAMINO-PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE, Baculoviral IAP repeat-containing protein 4, ZINC ION | | 著者 | Oost, T.K, Sun, C, Armstrong, R.C, Al-Assaad, A.S, Betz, S.F, Deckwerth, T.L, Elmore, S.W, Meadows, R.P, Olejniczak, E.T, Oleksijew, A.K, Oltersdorf, T, Rosenberg, S.H, Shoemaker, A.R, Zou, H, Fesik, S.W. | | 登録日 | 2004-05-27 | | 公開日 | 2005-05-03 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Discovery of potent antagonists of the antiapoptotic protein XIAP for the treatment of cancer.
J.Med.Chem., 47, 2004
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1V1K
 | | CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR | | 分子名称: | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL, CELL DIVISION PROTEIN KINASE 2 | | 著者 | Beattie, J.F, Breault, G.A, Ellston, R.P.A, Green, S, Jewsbury, P.J, Midgley, C.J, Naven, R.T, Minshull, C.A, Pauptit, R.A, Tucker, J.A, Pease, J.E. | | 登録日 | 2004-04-16 | | 公開日 | 2004-05-04 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Cyclin-Dependent Kinase 4 Inhibitors as a Treatment for Cancer. Part 1: Identification and Optimisation of Substituted 4,6-Bis Anilino Pyrimidines
Bioorg.Med.Chem.Lett., 13, 2003
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7XBR
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6LYP
 | | Cryo-EM structure of AtMSL1 wild type | | 分子名称: | Mechanosensitive ion channel protein 1, mitochondrial | | 著者 | Sun, L. | | 登録日 | 2020-02-15 | | 公開日 | 2020-04-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural Insights into a Plant Mechanosensitive Ion Channel MSL1.
Cell Rep, 30, 2020
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1TFQ
 | | NMR Structure of an Antagonists of the XIAP-Caspase-9 Interaction Complexed to the BIR3 domain of XIAP | | 分子名称: | Baculoviral IAP repeat-containing protein 4, N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE, ZINC ION | | 著者 | Oost, T.K, Sun, C, Armstrong, R.C, Al-Assaad, A.S, Betz, S.F, Deckwerth, T.L, Elmore, S.W, Meadows, R.P, Olejniczak, E.T, Oleksijew, A, Oltersdorf, T, Rosenberg, S.H, Shoemaker, A.R, Zou, H, Fesik, S.W. | | 登録日 | 2004-05-27 | | 公開日 | 2004-09-07 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Discovery of Potent Antagonists of the Antiapoptotic Protein XIAP for the Treatment of Cancer.
J.Med.Chem., 47, 2004
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7NBJ
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