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4US8
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BU of 4us8 by Molmil
Aldehyde Oxidoreductase from Desulfovibrio gigas (MOP), soaked with benzaldehyde
分子名称: (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, BICARBONATE ION, ...
著者Correia, H.D, Romao, M.J, Santos-Silva, T.
登録日2014-07-03
公開日2014-10-08
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase from Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme-Product Interaction.
J.Biol.Inorg.Chem., 20, 2015
6K4V
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BU of 6k4v by Molmil
The solution structure of the smart chimeric peptide G6
分子名称: smart chimeric peptide G6
著者Wang, J.H, Liu, X.H.
登録日2019-05-27
公開日2019-06-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Development of chimeric peptides to facilitate the neutralisation of lipopolysaccharides during bactericidal targeting of multidrug-resistant Escherichia coli.
Commun Biol, 3, 2020
6K4W
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BU of 6k4w by Molmil
smart chimeric peptide SCP-A6
分子名称: SCP-A6
著者Wang, J.H, Liu, X.H.
登録日2019-05-27
公開日2019-06-12
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Development of chimeric peptides to facilitate the neutralisation of lipopolysaccharides during bactericidal targeting of multidrug-resistant Escherichia coli.
Commun Biol, 3, 2020
7YGV
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BU of 7ygv by Molmil
Crystal structure of the Ca2+-bound EFhd1/Swiprosin-2
分子名称: CALCIUM ION, EF-hand domain-containing protein D1, GLYCEROL, ...
著者Mun, S.A, Park, J, Kang, J.Y, Park, T, Jin, M, Ynag, J, Eom, S.H.
登録日2022-07-12
公開日2023-03-15
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural and biochemical insights into Zn 2+ -bound EF-hand proteins, EFhd1 and EFhd2.
Iucrj, 10, 2023
6KYB
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BU of 6kyb by Molmil
Crystal structure of Atg18 from Saccharomyces cerevisiae
分子名称: Autophagy-related protein 18
著者Tang, D, Lei, Y, Liao, G, Chen, Q, Xu, L, Lu, K, Qi, S.
登録日2019-09-17
公開日2020-09-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of Atg18 reveals a new binding site for Atg2 in Saccharomyces cerevisiae.
Cell.Mol.Life Sci., 78, 2021
1MHQ
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BU of 1mhq by Molmil
Crystal Structure Of Human GGA2 VHS Domain
分子名称: ADP-ribosylation factor binding protein GGA2
著者Zhu, G, Zhang, X.C.
登録日2002-08-20
公開日2003-03-11
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of GGA2 VHS domain and its implication in plasticity in the ligand binding pocket
FEBS LETT., 537, 2003
7LG8
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BU of 7lg8 by Molmil
EGFR (T79M/V948R) in complex with naquotinib and an allosteric inhibitor
分子名称: (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{6-[4-(1-methylpiperidin-4-yl)phenyl]-1-oxo-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin e-2-carboxamide, Epidermal growth factor receptor
著者Beyett, T.S, Eck, M.J.
登録日2021-01-19
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors.
Nat Commun, 13, 2022
7LTX
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BU of 7ltx by Molmil
EGFR (T790M/V948R) in complex with quinazolinone allosteric inhibitor
分子名称: (2R)-2-{5-fluoro-6-[4-(1-methylpiperidin-4-yl)phenyl]-4-oxoquinazolin-3(4H)-yl}-2-phenyl-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ...
著者Beyett, T.S, Eck, M.J.
登録日2021-02-20
公開日2022-02-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Quinazolinones as allosteric fourth-generation EGFR inhibitors for the treatment of NSCLC.
Bioorg.Med.Chem.Lett., 68, 2022
8EA8
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NKG2D complexed with inhibitor 4a
分子名称: DI(HYDROXYETHYL)ETHER, N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ...
著者Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
登録日2022-08-28
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EA7
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NKG2D complexed with inhibitor 3g
分子名称: (4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, DI(HYDROXYETHYL)ETHER, NKG2-D type II integral membrane protein
著者Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
登録日2022-08-28
公開日2023-05-03
最終更新日2023-05-10
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
7R8D
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BU of 7r8d by Molmil
The structure of human ABCG1 E242Q with cholesterol
分子名称: CHOLESTEROL, Isoform 4 of ATP-binding cassette sub-family G member 1
著者Sun, Y, Li, X, Long, T.
登録日2021-06-26
公開日2021-09-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R8A
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BU of 7r8a by Molmil
The structure of human ABCG5/ABCG8 purified from mammalian cells
分子名称: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
著者Sun, Y, Li, X, Long, T.
登録日2021-06-26
公開日2021-09-08
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
8EA5
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BU of 8ea5 by Molmil
NKG2D complexed with inhibitor 1a
分子名称: (3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione, NKG2-D type II integral membrane protein, TRIETHYLENE GLYCOL
著者Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
登録日2022-08-28
公開日2023-05-03
最終更新日2023-05-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EA9
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BU of 8ea9 by Molmil
NKG2D complexed with inhibitor 4d
分子名称: DI(HYDROXYETHYL)ETHER, N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ...
著者Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
登録日2022-08-28
公開日2023-05-03
最終更新日2023-05-10
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
8EAB
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BU of 8eab by Molmil
NKG2D complexed with inhibitor 4f
分子名称: DI(HYDROXYETHYL)ETHER, N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein
著者Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
登録日2022-08-28
公開日2023-05-03
最終更新日2023-05-10
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
7R8B
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BU of 7r8b by Molmil
The structure of human ABCG5/ABCG8 supplemented with cholesterol
分子名称: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
著者Sun, Y, Li, X, Long, T.
登録日2021-06-26
公開日2021-09-08
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R88
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BU of 7r88 by Molmil
The structure of human ABCG5-I529W/ABCG8-WT
分子名称: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
著者Sun, Y, Li, X, Long, T.
登録日2021-06-26
公開日2021-09-08
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R8E
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BU of 7r8e by Molmil
The structure of human ABCG1 E242Q complexed with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHOLESTEROL, Isoform 4 of ATP-binding cassette sub-family G member 1, ...
著者Sun, Y, Li, X, Long, T.
登録日2021-06-26
公開日2021-09-08
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
8EA6
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BU of 8ea6 by Molmil
NKG2D complexed with inhibitor 3e
分子名称: N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein
著者Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
登録日2022-08-28
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
7R89
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BU of 7r89 by Molmil
The structure of human ABCG5/ABCG8 purified from yeast
分子名称: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
著者Sun, Y, Li, X, Long, T.
登録日2021-06-26
公開日2021-09-08
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
8EAA
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BU of 8eaa by Molmil
NKG2D complexed with inhibitor 4e
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, ...
著者Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S.
登録日2022-08-28
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Identification of small-molecule protein-protein interaction inhibitors for NKG2D.
Proc.Natl.Acad.Sci.USA, 120, 2023
7R87
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BU of 7r87 by Molmil
The structure of human ABCG5-WT/ABCG8-I419E
分子名称: 2C7 Fab heavy chain, 2C7 Fab light chain, ATP-binding cassette sub-family G member 5, ...
著者Sun, Y, Li, X, Long, T.
登録日2021-06-26
公開日2021-09-08
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7R8C
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BU of 7r8c by Molmil
The structure of human ABCG1
分子名称: Isoform 4 of ATP-binding cassette sub-family G member 1
著者Sun, Y, Li, X, Long, T.
登録日2021-06-26
公開日2021-09-08
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Molecular basis of cholesterol efflux via ABCG subfamily transporters.
Proc.Natl.Acad.Sci.USA, 118, 2021
7Y8G
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BU of 7y8g by Molmil
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30a and GRIP Peptide
分子名称: DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ...
著者Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T.
登録日2022-06-23
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer.
Eur.J.Med.Chem., 253, 2023
7Y8F
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Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o and GRIP Peptide
分子名称: DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ...
著者Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T.
登録日2022-06-23
公開日2023-04-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer.
Eur.J.Med.Chem., 253, 2023

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