8VLS
 
 | | Structure of VCP in complex with an ATPase activator (D2 domains only, dodecameric form) | | 分子名称: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, Transitional endoplasmic reticulum ATPase | | 著者 | Jones, N.H, Urnivicius, L, Kapoor, T.M. | | 登録日 | 2024-01-12 | | 公開日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VOV
 | | Structure of VCP in complex with an ATPase activator and ADP (D2 domains only, hexameric form) | | 分子名称: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | 著者 | Jones, N.H, Urnivicius, L, Kapoor, T.M. | | 登録日 | 2024-01-16 | | 公開日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8VKU
 | | Structure of VCP in complex with an ATPase activator (D2 domains only, hexameric form) | | 分子名称: | (3R)-N-[2-(ethylsulfanyl)phenyl]-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)butanamide, Transitional endoplasmic reticulum ATPase | | 著者 | Jones, N.H, Urnivicius, L, Kapoor, T.M. | | 登録日 | 2024-01-09 | | 公開日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Allosteric activation of VCP, an AAA unfoldase, by small molecule mimicry.
Proc.Natl.Acad.Sci.USA, 121, 2024
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2DMP
 | | Solution structure of the third homeobox domain of Zinc fingers and homeoboxes protein 2 | | 分子名称: | Zinc fingers and homeoboxes protein 2 | | 著者 | Ohnishi, S, Sasagawa, A, Saito, K, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | 登録日 | 2006-04-24 | | 公開日 | 2006-10-24 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of the third homeobox domain of Zinc fingers and homeoboxes protein 2
To be Published
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6Q7K
 | | ERK2 mini-fragment binding | | 分子名称: | 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-13 | | 公開日 | 2019-03-27 | | 最終更新日 | 2019-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QA3
 | | ERK2 mini-fragment binding | | 分子名称: | Mitogen-activated protein kinase 1, PYRAZOLE, SULFATE ION | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-18 | | 公開日 | 2019-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QA1
 | | ERK2 mini-fragment binding | | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION, pyridin-2-amine | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-18 | | 公開日 | 2019-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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2C3K
 | | Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification | | 分子名称: | 4-[3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOL-6-YL]-2-METHOXYPHENOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | | 著者 | Foloppe, N, Fisher, L.M, Francis, G, Howes, R, Kierstan, P, Potter, A. | | 登録日 | 2005-10-10 | | 公開日 | 2005-11-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Identification of a Buried Pocket for Potent and Selective Inhibition of Chk1: Prediction and Verification.
Bioorg.Med.Chem., 14, 2006
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6QAG
 | | ERK2 mini-fragment binding | | 分子名称: | 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-19 | | 公開日 | 2019-03-27 | | 最終更新日 | 2019-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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2C3J
 | | Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification | | 分子名称: | DEBROMOHYMENIALDISINE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFITE ION | | 著者 | Foloppe, N, Fisher, L.M, Francis, G, Howes, R, Kierstan, P, Potter, A. | | 登録日 | 2005-10-10 | | 公開日 | 2005-11-23 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Identification of a Buried Pocket for Potent and Selective Inhibition of Chk1: Prediction and Verification.
Bioorg.Med.Chem., 14, 2006
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8P6Y
 | | Cryo-EM structure of CAK in complex with nucleotide analogue ATPgS | | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | 登録日 | 2023-05-30 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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8P6V
 | | Cryo-EM structure of CAK in complex with inhibitor ICEC0942 | | 分子名称: | (3R,4R)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... | | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | 登録日 | 2023-05-30 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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6QA4
 | | ERK2 mini-fragment binding | | 分子名称: | 1~{H}-pyridin-2-one, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-18 | | 公開日 | 2019-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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8ORM
 | | Cryo-EM structure of CAK-THZ1 | | 分子名称: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | 著者 | Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. | | 登録日 | 2023-04-14 | | 公開日 | 2023-08-30 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (1.9 Å) | | 主引用文献 | High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design.
Nat Commun, 15, 2024
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6QAL
 | | ERK2 mini-fragment binding | | 分子名称: | 1,1-bis(oxidanylidene)thietan-3-ol, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-19 | | 公開日 | 2019-03-27 | | 最終更新日 | 2019-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QAW
 | | ERK2 mini-fragment binding | | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION, [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-19 | | 公開日 | 2019-03-27 | | 最終更新日 | 2019-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QAQ
 | | ERK2 mini-fragment binding | | 分子名称: | Mitogen-activated protein kinase 1, SULFATE ION, thiophen-3-ylmethylazanium | | 著者 | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | 登録日 | 2018-12-19 | | 公開日 | 2019-03-27 | | 最終更新日 | 2019-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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7AXU
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6VRD
 | | Crystal structure of RNase H/RNA/PS-ASO complex at an atomic level | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, RNA (5'-R(*(OMC)P*(N7X)P*(T39)P*(C5L)P*(A2M))-D(P*(SC)P*(PST)P*(SC)P*(AS)P*(SC)P*(SC)P*(SC)P*(AS)P*(SC)P*(PST))-R(P*(6OO)P*(RFJ)P*(6OO)P*(6OO)P*(6NW))-3'), ... | | 著者 | Cho, Y.-J, Butler, D. | | 登録日 | 2020-02-07 | | 公開日 | 2021-02-10 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.299 Å) | | 主引用文献 | Crystal structure of RNase H/RNA/PS-ASO complex at an atomic level
To Be Published
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7AXQ
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7AXX
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7AXP
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7AXS
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2VSR
 | | hPPARgamma Ligand binding domain in complex with 9-(S)-HODE | | 分子名称: | (9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA | | 著者 | Itoh, T, Fairall, L, Schwabe, J.W.R. | | 登録日 | 2008-04-29 | | 公開日 | 2008-08-19 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural Basis for the Activation of Pparg by Oxidised Fatty Acids
Nat.Struct.Mol.Biol., 15, 2008
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7ZJX
 | | Rabbit 80S ribosome programmed with SECIS and SBP2 | | 分子名称: | 18S rRNA, 28S rRNA, 40S Ribosomal protein eS19, ... | | 著者 | Hilal, T, Simonovic, M, Spahn, C.M.T. | | 登録日 | 2022-04-12 | | 公開日 | 2022-09-07 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structure of the mammalian ribosome as it decodes the selenocysteine UGA codon.
Science, 376, 2022
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