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7V9F
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BU of 7v9f by Molmil
Selenomethionine mutant (L740Sem) of BEN4 domain of protein Bend3 with DNA
分子名称: BEN domain-containing protein 3, CITRIC ACID, DNA (5'-D(*GP*CP*AP*CP*CP*GP*CP*GP*TP*GP*GP*GP*GP*CP*CP*A)-3'), ...
著者Zhang, J, Zhang, Y, You, Q, Huang, C, Zhang, T, Wang, M, Zhang, T, Yang, X, Xiong, J, Li, Y, Liu, C.P, Zhang, Z, Xu, R.M, Zhu, B.
登録日2021-08-25
公開日2022-02-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Highly enriched BEND3 prevents the premature activation of bivalent genes during differentiation.
Science, 375, 2022
2JQU
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BU of 2jqu by Molmil
Conformation of DIP-AST8 from 2D NMR data
分子名称: Allatostatins
著者Meyerowitz, E, Huang, C, Mohanty, S.
登録日2007-06-07
公開日2007-06-26
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Probing the conformation and dynamics of allatostatin neuropeptides: a structural model for functional differences.
Peptides, 29, 2008
2JQS
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BU of 2jqs by Molmil
Conformation of DIP-AST5 from 2D NMR data
分子名称: Allatostatins
著者Meyerowitz, E, Huang, C, Mohanty, S.
登録日2007-06-07
公開日2007-06-26
最終更新日2024-10-30
実験手法SOLUTION NMR
主引用文献Probing the conformation and dynamics of allatostatin neuropeptides: a structural model for functional differences.
Peptides, 29, 2008
5X72
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BU of 5x72 by Molmil
The crystal Structure PDE delta in complex with (rac)-p9
分子名称: (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, (2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
登録日2017-02-23
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
5X74
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BU of 5x74 by Molmil
The crystal Structure PDE delta in complex with compound (R, R)-1g
分子名称: (2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
登録日2017-02-23
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
5X73
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BU of 5x73 by Molmil
The crystal Structure PDE delta in complex with R-p9
分子名称: (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
著者Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C.
登録日2017-02-23
公開日2017-10-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors
J. Med. Chem., 60, 2017
7F09
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BU of 7f09 by Molmil
Crystal structure of the HLH-Lz domain of human TFE3
分子名称: 1,2-ETHANEDIOL, Transcription factor E3, ZINC ION
著者Yang, G, Li, P, Liu, Z, Wu, S, Zhuang, C, Qiao, H, Fang, P, Wang, J.
登録日2021-06-03
公開日2021-07-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the dimerization mechanism of human transcription factor E3.
Biochem.Biophys.Res.Commun., 569, 2021
5MRW
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BU of 5mrw by Molmil
Structure of the KdpFABC complex
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, POTASSIUM ION, Potassium-transporting ATPase ATP-binding subunit, ...
著者Huang, C, Pedersen, B.P, Stokes, D.L.
登録日2016-12-27
公開日2017-06-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of the potassium-importing KdpFABC membrane complex.
Nature, 546, 2017
2B4C
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BU of 2b4c by Molmil
Crystal structure of HIV-1 JR-FL gp120 core protein containing the third variable region (V3) complexed with CD4 and the X5 antibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SULFATE ION, T-cell surface glycoprotein CD4, ...
著者Huang, C, Tang, M, Zhang, M.Y, Majeed, S, Montabana, E, Stanfield, R.L, Dimitrov, D.S, Korber, B, Sodroski, J, Wilson, I.A, Wyatt, R, Kwong, P.D.
登録日2005-09-23
公開日2005-11-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structure of a V3-containing HIV-1 gp120 core.
Science, 310, 2005
2RD0
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BU of 2rd0 by Molmil
Structure of a human p110alpha/p85alpha complex
分子名称: Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
著者Huang, C, Gabelli, S.B, Amzel, L.M.
登録日2007-09-20
公開日2007-12-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献The structure of a human p110alpha/p85alpha complex elucidates the effects of oncogenic PI3Kalpha mutations.
Science, 318, 2007
7BZH
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BU of 7bzh by Molmil
Solution structure of a DNA binding protein from Sulfolobus islandicus
分子名称: Sul7s
著者Zhang, Z, Liu, X.
登録日2020-04-28
公開日2021-04-28
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A Novel Family of Winged-Helix Single-Stranded DNA-Binding Proteins from Archaea.
Int J Mol Sci, 23, 2022
5YJO
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BU of 5yjo by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 4
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Anna E, J.
登録日2017-10-11
公開日2018-10-17
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.135 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
6IJL
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BU of 6ijl by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 5
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Joy, J.
登録日2018-10-10
公開日2019-08-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
1L3M
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BU of 1l3m by Molmil
The Solution Structure of [d(CGC)r(amamam)d(TTTGCG)]2
分子名称: 5'-D(*CP*GP*C)-R(P*(A39)P*(A39)P*(A39))-D(P*TP*TP*TP*GP*CP*G)-3'
著者Tsao, Y.P, Wang, L.Y, Hsu, S.T, Jain, M.L, Chou, S.H, Huang, W.C, Cheng, J.W.
登録日2002-02-28
公開日2002-04-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献The solution structure of [d(CGC)r(amamam)d(TTTGCG)]2.
J.Biomol.NMR, 21, 2001
8W5J
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BU of 8w5j by Molmil
Cryo-EM structure of the yeast TOM core complex (from TOM-TIM23 complex)
分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ...
著者Wang, Q, Guan, Z.Y, Zhuang, J.J, Huang, R, Yin, P.
登録日2023-08-27
公開日2024-02-28
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献The architecture of substrate-engaged TOM-TIM23 supercomplex reveals preprotein proximity sites for mitochondrial protein translocation.
Cell Discov, 10, 2024
8W5K
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BU of 8w5k by Molmil
Cryo-EM structure of the yeast TOM core complex crosslinked by BS3 (from TOM-TIM23 complex)
分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl tetradecanoate, Mitochondrial import receptor subunit TOM22, Mitochondrial import receptor subunit TOM40, ...
著者Wang, Q, Guan, Z.Y, Zhuang, J.J, Huang, R, Yin, P.
登録日2023-08-27
公開日2024-03-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献The architecture of substrate-engaged TOM-TIM23 supercomplex reveals preprotein proximity sites for mitochondrial protein translocation.
Cell Discov, 10, 2024
7ROV
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BU of 7rov by Molmil
KRAS G12D Mutant in complex with GMPPCP and cyclic peptide MP-9903
分子名称: Cyclic peptide MP-9903, GLYCEROL, Isoform 2B of GTPase KRas, ...
著者Orth, P.
登録日2021-08-02
公開日2021-09-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Discovery of cell active macrocyclic peptides with on-target inhibition of KRAS signaling.
Chem Sci, 12, 2021
3K9X
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BU of 3k9x by Molmil
X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE
分子名称: CALCIUM ION, GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ...
著者Klei, H.E, Kish, K, Ghosh, K, Rushith, A.
登録日2009-10-16
公開日2009-12-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
Bioorg.Med.Chem.Lett., 19, 2009
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
5XYF
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BU of 5xyf by Molmil
Crystal structure of the human TIN2-TPP1-TRF2 telomeric complex
分子名称: Adrenocortical dysplasia protein homolog, TERF1-interacting nuclear factor 2, Telomeric repeat-binding factor 2
著者Hu, C, Chen, Y.
登録日2017-07-07
公開日2017-12-13
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献Structural and functional analyses of the mammalian TIN2-TPP1-TRF2 telomeric complex.
Cell Res., 27, 2017
8HOA
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BU of 8hoa by Molmil
ScRIPK mutant K124R
分子名称: (2R,5R)-hexane-2,5-diol, ADENOSINE-5'-TRIPHOSPHATE, FORMIC ACID, ...
著者Fang, J.L, Zhang, M.Q, Ming, Z.H.
登録日2022-12-09
公開日2023-10-18
実験手法X-RAY DIFFRACTION (1.676 Å)
主引用文献Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
8HO6
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BU of 8ho6 by Molmil
ScRIPK WT
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ScRIPK kinase protein
著者Fang, J.L, Zhang, M.Q.
登録日2022-12-09
公開日2023-10-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
8HOD
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BU of 8hod by Molmil
ScRIPK MUTANT-S253A, T254A
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Hypothetical protein
著者Fang, J.L, Zhang, M.Q.
登録日2022-12-09
公開日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
9ISF
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BU of 9isf by Molmil
Crystal structure of nanobody 14 in complex with HSV-2 gD
分子名称: Glycoprotein D, Nanobody 14
著者Hu, J, Jin, T.C.
登録日2024-07-17
公開日2025-05-28
実験手法X-RAY DIFFRACTION (3.72 Å)
主引用文献A potent protective bispecific nanobody targeting Herpes simplex virus gD reveals vulnerable epitope for neutralizing.
Nat Commun, 16, 2025
7F8L
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BU of 7f8l by Molmil
Crystal structure of Bat coronavirus RaTG13 ORF8 accessory protein
分子名称: CALCIUM ION, Nonstructural protein NS8
著者Chen, X, Zhou, Z, Chen, S.
登録日2021-07-02
公開日2022-01-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Crystal Structures of Bat and Human Coronavirus ORF8 Protein Ig-Like Domain Provide Insights Into the Diversity of Immune Responses.
Front Immunol, 12, 2021

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件を2025-07-09に公開中

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