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2E2Z
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BU of 2e2z by Molmil
Solution NMR structure of yeast Tim15, co-chaperone of mitochondrial Hsp70
分子名称: Tim15, ZINC ION
著者Momose, T, Ohshima, C, Maeda, M, Endo, T.
登録日2006-11-19
公開日2007-10-09
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural basis of functional cooperation of Tim15/Zim17 with yeast mitochondrial Hsp70
Embo Rep., 8, 2007
2RQ8
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BU of 2rq8 by Molmil
Solution NMR structure of titin I27 domain mutant
分子名称: Titin
著者Yagawa, K, Oguro, T, Momose, T, Kawano, S, Sato, T, Endo, T.
登録日2009-03-05
公開日2010-02-02
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Structural basis for unfolding pathway-dependent stability of proteins: Vectorial unfolding vs. global unfolding
Protein Sci., 2010
3A3C
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BU of 3a3c by Molmil
Crystal structure of TIM40/MIA40 fusing MBP, C296S and C298S mutant
分子名称: Maltose-binding periplasmic protein, LINKER, Mitochondrial intermembrane space import and assembly protein 40, ...
著者Kawano, S, Naoe, M, Momose, T, Watanabe, N, Endo, T.
登録日2009-06-11
公開日2009-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis of yeast Tim40/Mia40 as an oxidative translocator in the mitochondrial intermembrane space.
Proc.Natl.Acad.Sci.USA, 106, 2009
2ZXT
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BU of 2zxt by Molmil
Crystal structure of Tim40/MIA40, a disulfide relay system in mitochondria, solved as MBP fusion protein
分子名称: Maltose-binding periplasmic protein, LINKER, Mitochondrial intermembrane space import and assembly protein 40, ...
著者Kawano, S, Momose, T, Watanabe, N, Endo, T.
登録日2009-01-07
公開日2009-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of yeast Tim40/Mia40 as an oxidative translocator in the mitochondrial intermembrane space.
Proc.Natl.Acad.Sci.USA, 106, 2009
5H3Q
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BU of 5h3q by Molmil
Crystal Structure of TrkA kinase with ligand
分子名称: 1-[(3S,4R)-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, High affinity nerve growth factor receptor, ...
著者Noritaka, F.
登録日2016-10-26
公開日2017-02-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The juxtamembrane region of TrkA kinase is critical for inhibitor selectivity
Bioorg. Med. Chem. Lett., 27, 2017
6IQN
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BU of 6iqn by Molmil
Crystal structure of TrkA kinase with ligand
分子名称: 4-[[4-azanyl-3-(4-cyclohexylpiperazin-1-yl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid, High affinity nerve growth factor receptor
著者Noritaka, F.
登録日2018-11-08
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献An isoform-selective inhibitor of tropomyosin receptor kinase A behaves as molecular glue.
Bioorg.Med.Chem.Lett., 30, 2020
8WD4
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BU of 8wd4 by Molmil
EGFR(L858R/T790/C797S) in complex with compound 5j
分子名称: CHLORIDE ION, Epidermal growth factor receptor, ~{N}-[3,3-bis(fluoranyl)propyl]-4-[[(2~{S})-butan-2-yl]amino]-6-[[2-(1-cyclopropylsulfonylpyrazol-4-yl)pyrimidin-4-yl]amino]pyridine-3-carboxamide
著者Nishikawa, Y.
登録日2023-09-14
公開日2023-12-20
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Synthesis, activity, and their relationships of 2,4-diaminonicotinamide derivatives as EGFR inhibitors targeting C797S mutation.
Bioorg.Med.Chem.Lett., 98, 2023
7Y1G
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BU of 7y1g by Molmil
Crystal structure of human PRKACA complexed with DS01080522
分子名称: 1-chloranyl-~{N}-[(~{S})-(3-chloranyl-4-cyano-phenyl)-[(2~{R},4~{S})-4-oxidanylpyrrolidin-2-yl]methyl]-7-methoxy-isoquinoline-6-carboxamide, ZINC ION, cAMP-dependent protein kinase catalytic subunit alpha
著者Suzuki, M, Ubukata, O, Toyoda, A.
登録日2022-06-08
公開日2022-09-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Novel protein kinase cAMP-Activated Catalytic Subunit Alpha (PRKACA) inhibitor shows anti-tumor activity in a fibrolamellar hepatocellular carcinoma model.
Biochem.Biophys.Res.Commun., 621, 2022
7XVY
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BU of 7xvy by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN
分子名称: (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, Nuclear receptor coactivator 1
著者Furuya, N, Handa, C.
登録日2022-05-25
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.544 Å)
主引用文献Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XWR
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BU of 7xwr by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (S)-2-(2-chloro-4-hydroxyphenyl)-3-(4-hydroxyphenyl)propanenitrile
分子名称: (2~{S})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
著者Furuya, N, Handa, C.
登録日2022-05-27
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.164 Å)
主引用文献Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XWQ
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BU of 7xwq by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R)-2-(2-chloro-4-hydroxyphenyl)-3-(4-hydroxyphenyl)propanenitrile
分子名称: (2~{R})-2-(2-chloranyl-4-oxidanyl-phenyl)-3-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
著者Furuya, N, Handa, C.
登録日2022-05-27
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XWP
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BU of 7xwp by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (S)-3-(2-chloro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile
分子名称: (2~{S})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
著者Furuya, N, Handa, C.
登録日2022-05-27
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.919 Å)
主引用文献Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
7XVZ
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BU of 7xvz by Molmil
Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R)-3-(2-chloro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile
分子名称: (2~{R})-3-(2-chloranyl-4-oxidanyl-phenyl)-2-(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, SRC peptide
著者Furuya, N, Handa, C.
登録日2022-05-25
公開日2022-07-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
J.Steroid Biochem.Mol.Biol., 222, 2022
3A7E
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BU of 3a7e by Molmil
Crystal structure of human COMT complexed with SAM and 3,5-dinitrocatechol
分子名称: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
著者Tsuji, E.
登録日2009-09-26
公開日2010-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Hit to Lead: Comprehensive Strategy of de novo Scaffold Generation by FBDD. Part 1: In silico Fragments Linking and Verification of Spatial Proximity using Inter Ligand NOE Approachs
To be Published

222415

件を2024-07-10に公開中

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