6VEI
 
 | | Crystal Structure of Human Cytosolic Isocitrate Dehydrogenase (IDH1) R132H Mutant in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor | | 分子名称: | 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, ACETATE ION, ... | | 著者 | Padyana, A, Jin, L. | | 登録日 | 2020-01-02 | | 公開日 | 2020-02-05 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.
Acs Med.Chem.Lett., 11, 2020
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4DXB
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6WN2
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6A3N
 | | Crystal structure of the PDE9 catalytic domain in complex with inhibitor 2 | | 分子名称: | 1-cyclopentyl-6-({(2R)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxopropan-2-yl}amino)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... | | 著者 | Wu, Y.N, Zhou, Q, Chen, Y.P, Luo, H.B. | | 登録日 | 2018-06-15 | | 公開日 | 2019-04-10 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors against Phosphodiesterase-9, a Novel Target for the Treatment of Vascular Dementia.
J. Med. Chem., 62, 2019
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8HW4
 | | Cryo-EM structure of dehydroepiandrosterone sulfate-bound human ABC transporter ABCC3 in nanodiscs | | 分子名称: | 17-oxoandrost-5-en-3beta-yl hydrogen sulfate, ATP-binding cassette sub-family C member 3 | | 著者 | Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z. | | 登録日 | 2022-12-28 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | | 主引用文献 | Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023
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8HW2
 | | Cryo-EM structure of beta-estradiol 17-(beta-D-glucuronide)-bound human ABC transporter ABCC3 in nanodiscs | | 分子名称: | ATP-binding cassette sub-family C member 3, Estradiol-17beta-glucuronide | | 著者 | Wang, J, Wang, F.F, Chen, Y.X, Zhou, C.Z. | | 登録日 | 2022-12-28 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | ELECTRON MICROSCOPY (3.65 Å) | | 主引用文献 | Placing steroid hormones within the human ABCC3 transporter reveals a compatible amphiphilic substrate-binding pocket.
Embo J., 42, 2023
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8HVH
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7E9B
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4PP9
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2M75
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2M7H
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4QD6
 | | ITK kinase domain in complex with inhibitor compound | | 分子名称: | Tyrosine-protein kinase ITK/TSK, trans-4-({6-[(5-phenyl-1H-pyrazol-3-yl)amino]-4-(phenylsulfonyl)pyridin-2-yl}amino)cyclohexanol | | 著者 | McEwan, P.A, Barker, J.J, Eigenbrot, C. | | 登録日 | 2014-05-13 | | 公開日 | 2015-01-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Design, synthesis and structure-activity relationships of a novel class of sulfonylpyridine inhibitors of Interleukin-2 inducible T-cell kinase (ITK).
Bioorg.Med.Chem.Lett., 24, 2014
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2M7F
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5LUH
 | | AadA E87Q in complex with ATP, calcium and streptomycin | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | 著者 | Stern, A.L, Van der Verren, S.E, Selmer, M. | | 登録日 | 2016-09-08 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
J.Biol.Chem., 293, 2018
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5LPA
 | | AadA E87Q in complex with ATP, calcium and dihydrostreptomycin | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | 著者 | Stern, A.L, Van der Verren, S.E, Selmer, M. | | 登録日 | 2016-08-12 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
J.Biol.Chem., 293, 2018
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5T1S
 | | Irak4 kinase - compound 1 co-structure | | 分子名称: | 5-[3-(3,5-dimethylphenyl)-4-[4-(methylamino)butyl]quinolin-6-yl]pyridin-3-ol, Interleukin-1 receptor-associated kinase 4 | | 著者 | Fischmann, T.O. | | 登録日 | 2016-08-22 | | 公開日 | 2017-05-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
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5T1T
 | | Irak4 kinase - compound 1 co-structure | | 分子名称: | Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(6-nitroquinazolin-4-yl)oxy-cyclohexan-1-amine | | 著者 | Fischmann, T.O. | | 登録日 | 2016-08-22 | | 公開日 | 2017-05-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation.
Bioorg. Med. Chem. Lett., 27, 2017
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3DPK
 | | cFMS tyrosine kinase in complex with a pyridopyrimidinone inhibitor | | 分子名称: | 8-cyclohexyl-N-methoxy-5-oxo-2-{[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, Macrophage colony-stimulating factor 1 receptor, Fibroblast growth factor receptor 1, ... | | 著者 | Schubert, C. | | 登録日 | 2008-07-08 | | 公開日 | 2009-02-17 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Pyrido[2,3-d]pyrimidin-5-ones: a novel class of antiinflammatory macrophage colony-stimulating factor-1 receptor inhibitors
J.Med.Chem., 52, 2009
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5EGM
 | | Development of a novel tricyclic class of potent and selective FIXa inhibitors | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | | 著者 | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | | 登録日 | 2015-10-27 | | 公開日 | 2015-11-18 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.841 Å) | | 主引用文献 | Development of a novel tricyclic class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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5V89
 | | Structure of DCN4 PONY domain bound to CUL1 WHB | | 分子名称: | Cullin-1, DCN1-like protein 4 | | 著者 | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | | 登録日 | 2017-03-21 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase.
Nat. Chem. Biol., 13, 2017
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5V83
 | | Structure of DCN1 bound to NAcM-HIT | | 分子名称: | Lysozyme,DCN1-like protein 1 chimera, N-(1-benzylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea | | 著者 | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | | 登録日 | 2017-03-21 | | 公開日 | 2017-05-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.002 Å) | | 主引用文献 | Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase.
Nat. Chem. Biol., 13, 2017
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4PPB
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4PPC
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4PPA
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5V86
 | | Structure of DCN1 bound to NAcM-OPT | | 分子名称: | Lysozyme,DCN1-like protein 1, N-benzyl-N-(1-butylpiperidin-4-yl)-N'-(3,4-dichlorophenyl)urea | | 著者 | Guy, R.K, Schulman, B.A, Scott, D.C, Hammill, J.T. | | 登録日 | 2017-03-21 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.374 Å) | | 主引用文献 | Blocking an N-terminal acetylation-dependent protein interaction inhibits an E3 ligase.
Nat. Chem. Biol., 13, 2017
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