2E2Z
 
 | | Solution NMR structure of yeast Tim15, co-chaperone of mitochondrial Hsp70 | | Descriptor: | Tim15, ZINC ION | | Authors: | Momose, T, Ohshima, C, Maeda, M, Endo, T. | | Deposit date: | 2006-11-19 | | Release date: | 2007-10-09 | | Last modified: | 2022-03-09 | | Method: | SOLUTION NMR | | Cite: | Structural basis of functional cooperation of Tim15/Zim17 with yeast mitochondrial Hsp70
Embo Rep., 8, 2007
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2RQ8
 | | Solution NMR structure of titin I27 domain mutant | | Descriptor: | Titin | | Authors: | Yagawa, K, Oguro, T, Momose, T, Kawano, S, Sato, T, Endo, T. | | Deposit date: | 2009-03-05 | | Release date: | 2010-02-02 | | Last modified: | 2021-11-10 | | Method: | SOLUTION NMR | | Cite: | Structural basis for unfolding pathway-dependent stability of proteins: Vectorial unfolding vs. global unfolding
Protein Sci., 2010
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3A3C
 | | Crystal structure of TIM40/MIA40 fusing MBP, C296S and C298S mutant | | Descriptor: | Maltose-binding periplasmic protein, LINKER, Mitochondrial intermembrane space import and assembly protein 40, ... | | Authors: | Kawano, S, Naoe, M, Momose, T, Watanabe, N, Endo, T. | | Deposit date: | 2009-06-11 | | Release date: | 2009-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of yeast Tim40/Mia40 as an oxidative translocator in the mitochondrial intermembrane space.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2ZXT
 | | Crystal structure of Tim40/MIA40, a disulfide relay system in mitochondria, solved as MBP fusion protein | | Descriptor: | Maltose-binding periplasmic protein, LINKER, Mitochondrial intermembrane space import and assembly protein 40, ... | | Authors: | Kawano, S, Momose, T, Watanabe, N, Endo, T. | | Deposit date: | 2009-01-07 | | Release date: | 2009-08-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural basis of yeast Tim40/Mia40 as an oxidative translocator in the mitochondrial intermembrane space.
Proc.Natl.Acad.Sci.USA, 106, 2009
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8WD4
 | | EGFR(L858R/T790/C797S) in complex with compound 5j | | Descriptor: | 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 | | Authors: | Nishikawa, Y. | | Deposit date: | 2023-09-14 | | Release date: | 2023-12-20 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Synthesis, activity, and their relationships of 2,4-diaminonicotinamide derivatives as EGFR inhibitors targeting C797S mutation.
Bioorg.Med.Chem.Lett., 98, 2023
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5H3Q
 | | Crystal Structure of TrkA kinase with ligand | | Descriptor: | 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, ... | | Authors: | Noritaka, F. | | Deposit date: | 2016-10-26 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The juxtamembrane region of TrkA kinase is critical for inhibitor selectivity
Bioorg. Med. Chem. Lett., 27, 2017
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6IQN
 | | Crystal structure of TrkA kinase with ligand | | Descriptor: | 4-[[4-azanyl-3-(4-cyclohexylpiperazin-1-yl)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid, High affinity nerve growth factor receptor | | Authors: | Noritaka, F. | | Deposit date: | 2018-11-08 | | Release date: | 2020-01-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | An isoform-selective inhibitor of tropomyosin receptor kinase A behaves as molecular glue.
Bioorg.Med.Chem.Lett., 30, 2020
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7Y1G
 | | Crystal structure of human PRKACA complexed with DS01080522 | | Descriptor: | 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 | | Authors: | Suzuki, M, Ubukata, O, Toyoda, A. | | Deposit date: | 2022-06-08 | | Release date: | 2022-09-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
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3A7E
 | | Crystal structure of human COMT complexed with SAM and 3,5-dinitrocatechol | | Descriptor: | 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ... | | Authors: | Tsuji, E. | | Deposit date: | 2009-09-26 | | Release date: | 2010-09-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 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
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7XWP
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7XVZ
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7XWR
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7XWQ
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7XVY
 | | Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN | | Descriptor: | (2~{S})-2,3-bis(4-hydroxyphenyl)propanenitrile, Estrogen receptor beta, Nuclear receptor coactivator 1 | | Authors: | Furuya, N, Handa, C. | | Deposit date: | 2022-05-25 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.544 Å) | | Cite: | 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
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