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6YL8
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BU of 6yl8 by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_011
分子名称: (2~{R},5~{S})-2-(2-chlorophenyl)-5-methyl-morpholine, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-04-06
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
4ZZJ
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BU of 4zzj by Molmil
SIRT1/Activator/Substrate Complex
分子名称: (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, Ac-p53, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Dai, H.
登録日2015-05-22
公開日2015-07-15
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7403 Å)
主引用文献Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
4ZZI
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BU of 4zzi by Molmil
SIRT1/Activator/Inhibitor Complex
分子名称: (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, 4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ...
著者Dai, H.
登録日2015-05-22
公開日2015-07-15
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.7346 Å)
主引用文献Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
4ZZH
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BU of 4zzh by Molmil
SIRT1/Activator Complex
分子名称: (4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide, NAD-dependent protein deacetylase sirtuin-1, ZINC ION
著者Dai, H.
登録日2015-05-22
公開日2015-07-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.1001 Å)
主引用文献Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
3QUP
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BU of 3qup by Molmil
Inhibitor bound structure of the kinase domain of the murine receptor tyrosine kinase TYRO3 (Sky)
分子名称: (5-fluoro-1H-indol-2-yl)[(3R)-1'-[(3R)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2H)-yl]methanone, Tyrosine-protein kinase receptor TYRO3
著者Ohren, J.F.
登録日2011-02-24
公開日2011-12-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Novel and selective spiroindoline-based inhibitors of sky kinase.
Bioorg.Med.Chem.Lett., 22, 2012
4L3Q
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BU of 4l3q by Molmil
Crystal structure of glucokinase-activator complex
分子名称: 6-{3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}pyridin-2(1H)-one, Glucokinase, alpha-D-glucopyranose
著者Gajiwala, K.S, Filipski, K.J.
登録日2013-06-06
公開日2013-07-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Pyrimidone-based series of glucokinase activators with alternative donor-acceptor motif.
Bioorg.Med.Chem.Lett., 23, 2013
1LB0
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BU of 1lb0 by Molmil
NMR Structure of HIV-1 gp41 659-671 13-mer peptide
分子名称: GP41
著者Biron, Z.
登録日2002-04-01
公開日2002-12-04
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A Monomeric 3(10)-Helix Is Formed in Water by a 13-Residue Peptide Representing the Neutralizing Determinant of HIV-1 on gp41(,).
Biochemistry, 41, 2002
6FGP
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BU of 6fgp by Molmil
NMR solution structure of monomeric CCL5 in complex with a doubly-sulfated N-terminal segment of CCR5
分子名称: C-C chemokine receptor type 5, C-C motif chemokine 5
著者Anglister, J, Abayev, M.
登録日2018-01-11
公開日2018-04-18
最終更新日2022-03-30
実験手法SOLUTION NMR
主引用文献The solution structure of monomeric CCL5 in complex with a doubly sulfated N-terminal segment of CCR5.
FEBS J., 285, 2018
3S41
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BU of 3s41 by Molmil
Glucokinase in complex with activator and glucose
分子名称: Glucokinase, N,N-dimethyl-5-({2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl}oxy)pyrimidine-2-carboxamide, SODIUM ION, ...
著者Liu, S.
登録日2011-05-18
公開日2011-09-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus
MEDCHEMCOMM, 2, 2011
2MZX
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BU of 2mzx by Molmil
CCR5-ECL2 helical structure, residues Q186-T195
分子名称: C-C chemokine receptor type 5
著者Abayev, M, Anglister, J.
登録日2015-02-26
公開日2015-04-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献An extended CCR5 ECL2 peptide forms a helix that binds HIV-1 gp120 through non-specific hydrophobic interactions.
Febs J., 282, 2015
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