5FM2
 
 | | Crystal structure of hyper-phosphorylated RET kinase domain with (proximal) juxtamembrane segment | | 分子名称: | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | | 著者 | Plaza-Menacho, I, Barnouin, K, Barry, R, Borg, A, Orme, M, Mouilleron, S, Martinez-Torres, R.J, Meier, P, McDonald, N.Q. | | 登録日 | 2015-10-30 | | 公開日 | 2016-12-28 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | RET Functions as a Dual-Specificity Kinase that Requires Allosteric Inputs from Juxtamembrane Elements.
Cell Rep, 17, 2016
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5FM3
 | | Crystal structure of hyper-phosphorylated RET kinase domain with (proximal) juxtamembrane segment | | 分子名称: | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | | 著者 | Plaza-Menacho, I, Barnouin, K, Barry, R, Borg, A, Orme, M, Mouilleron, S, Martinez-Torres, R.J, Meier, P, McDonald, N.Q. | | 登録日 | 2015-10-30 | | 公開日 | 2016-12-28 | | 最終更新日 | 2019-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | | 主引用文献 | RET Functions as a Dual-Specificity Kinase that Requires Allosteric Inputs from Juxtamembrane Elements.
Cell Rep, 17, 2016
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8PS0
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8PVR
 | | Cryo-EM structure of horse Nhe9 bound to PI(3,5)P2 | | 分子名称: | (2R)-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,4,6-trihydroxy-3,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate, Sodium/hydrogen exchanger 9 | | 著者 | Kokane, S, Meier, P, Gulati, A, Delemotte, L, Drew, D. | | 登録日 | 2023-07-18 | | 公開日 | 2024-07-24 | | 実験手法 | ELECTRON MICROSCOPY (3.06 Å) | | 主引用文献 | PIP2 mediated oligomerization of the endosomal sodium/proton exchanger NHE9
To Be Published
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8PXB
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4QYY
 | | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase State | | 分子名称: | (3R)-1-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-N-(3-chloro-4-hydroxyphenyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Deng, Y, Shipps, G.W, Cooper, A, English, J.M, Annis, D.A, Carr, D, Nan, Y, Wang, T, Zhu, Y.H, Chuang, C, Dayananth, P, Hruza, A.W, Xiao, L, Jin, W, Kirschmeier, P, Windsor, W.T, Samatar, A.A. | | 登録日 | 2014-07-26 | | 公開日 | 2014-11-12 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Discovery of Novel, Dual Mechanism ERK Inhibitors by Affinity Selection Screening of an Inactive Kinase.
J.Med.Chem., 57, 2014
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6DCG
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | 分子名称: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | 登録日 | 2018-05-06 | | 公開日 | 2018-08-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
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3KSQ
 | | Discovery of C-Imidazole Azaheptapyridine FPT Inhibitors | | 分子名称: | FARNESYL DIPHOSPHATE, Farnesyltransferase, CAAX box, ... | | 著者 | Zhu, H.Y, Cooper, A.B, Njoroge, G, Kirschmeier, P, Strickland, C, Hruza, A, Girijavallabhan, V.M. | | 登録日 | 2009-11-23 | | 公開日 | 2010-01-26 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Discovery of C-imidazole azaheptapyridine FPT inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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6Z3Z
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8TSM
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8RYS
 | | Human IL-1beta, unliganded | | 分子名称: | Interleukin-1 beta, SULFATE ION | | 著者 | Rondeau, J.-M, Lehmann, S. | | 登録日 | 2024-02-09 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
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8RYK
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8RZB
 | | IL-1beta in complex with covalent DEL hit | | 分子名称: | 8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid, Interleukin-1 beta | | 著者 | Rondeau, J.-M, Lehmann, S. | | 登録日 | 2024-02-12 | | 公開日 | 2024-05-22 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.836 Å) | | 主引用文献 | Ligandability Assessment of IL-1 beta by Integrated Hit Identification Approaches.
J.Med.Chem., 67, 2024
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2J23
 | | Cross-reactivity and crystal structure of Malassezia sympodialis Thioredoxin (Mala s 13), a member of a new pan-allergen family | | 分子名称: | THIOREDOXIN | | 著者 | Limacher, A, Glaser, A.G, Meier, C, Scapozza, L, Crameri, R. | | 登録日 | 2006-08-16 | | 公開日 | 2006-11-22 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Cross-reactivity and 1.4-A crystal structure of Malassezia sympodialis thioredoxin (Mala s 13), a member of a new pan-allergen family.
J Immunol., 178, 2007
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6Z3Y
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6OB0
 | | Compound 2 bound structure of WT Lipoprotein Lipase in Complex with GPIHBP1 Mutant N78D N82D produced in HEK293-F cells | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Arora, R, Horton, P.A, Benson, T.E, Romanowski, M.J. | | 登録日 | 2019-03-19 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | Structure of lipoprotein lipase in complex with GPIHBP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6OAU
 | | Apo Structure of WT Lipoprotein Lipase in Complex with GPIHBP1 Mutant N78D N82D produced in GnTI-deficient HEK293-F cells | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glycosylphosphatidylinositol-anchored high density lipoprotein-binding protein 1, ... | | 著者 | Arora, R, Horton, P.A, Benson, T.E, Romanowski, M.J. | | 登録日 | 2019-03-18 | | 公開日 | 2019-05-08 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Structure of lipoprotein lipase in complex with GPIHBP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6OAZ
 | | Apo Structure of WT Lipoprotein Lipase in Complex with GPIHBP1 Mutant N78D N82D produced in HEK293-F cells | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Arora, R, Horton, P.A, Benson, T.E, Romanowski, M.J. | | 登録日 | 2019-03-19 | | 公開日 | 2019-05-08 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.04 Å) | | 主引用文献 | Structure of lipoprotein lipase in complex with GPIHBP1.
Proc.Natl.Acad.Sci.USA, 116, 2019
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2L9M
 | | Structure of cIAP1 CARD | | 分子名称: | Baculoviral IAP repeat-containing protein 2 | | 著者 | Day, C.L, Rautureau, G.J.P, Hinds, M.G. | | 登録日 | 2011-02-21 | | 公開日 | 2011-08-17 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | CARD-mediated autoinhibition of cIAP1's E3 ligase activity suppresses cell proliferation and migration.
Mol.Cell, 42, 2011
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6CPW
 | | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology | | 分子名称: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Hruza, A, Hruza, A. | | 登録日 | 2018-03-14 | | 公開日 | 2018-05-23 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
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4NJ3
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7G1I
 | | Crystal Structure of human FABP4 in complex with 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid | | 分子名称: | 5-(4-chlorophenyl)-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid, Fatty acid-binding protein, adipocyte, ... | | 著者 | Ehler, A, Benz, J, Obst, U, Waldmeier, P, Rudolph, M.G. | | 登録日 | 2023-04-27 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Crystal Structure of a human FABP4 complex
To be published
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