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3MO0
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BU of 3mo0 by Molmil
Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E11
分子名称: 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
著者Chang, Y, Horton, J.R, Cheng, X.
登録日2010-04-22
公開日2010-06-30
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
3MO5
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BU of 3mo5 by Molmil
Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E72
分子名称: 7-[(5-aminopentyl)oxy]-N~4~-[1-(5-aminopentyl)piperidin-4-yl]-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
著者Chang, Y, Horton, J.R, Cheng, X.
登録日2010-04-22
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
5XNM
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BU of 5xnm by Molmil
Structure of unstacked C2S2M2-type PSII-LHCII supercomplex from Pisum sativum
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Su, X.D, Ma, J, Wei, X.P, Cao, P, Zhu, D.J, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M.
登録日2017-05-23
公開日2017-09-20
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex
Science, 357, 2017
3MO2
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human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E67
分子名称: 7-[(5-aminopentyl)oxy]-N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6-methoxyquinazoline-2,4-diamine, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ...
著者Chang, Y, Horton, J.R, Cheng, X.
登録日2010-04-22
公開日2010-06-30
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
5XNL
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Structure of stacked C2S2M2-type PSII-LHCII supercomplex from Pisum sativum
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Su, X.D, Ma, J, Wei, X.P, Cao, P, Zhu, D.J, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M.
登録日2017-05-23
公開日2017-09-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex
Science, 357, 2017
5TJE
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BU of 5tje by Molmil
Murine class I major histocompatibility complex H-2Db in complex with LCMV-derived gp33 and T cell receptor P14
分子名称: ALPHA CHAIN OF MURINE T CELL RECEPTOR p14, BETA CHAIN OF MURINE T CELL RECEPTOR p14, Beta-2-microglobulin, ...
著者Achour, A, Sandalova, T, Allerbring, E, Popov, A.
登録日2016-10-04
公開日2017-11-01
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Thernary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
to be published
5XNN
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Structure of M-LHCII and CP24 complexes in the stacked C2S2M2-type PSII-LHCII supercomplex from Pisum sativum
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Su, X.D, Ma, J, Wei, X.P, Cao, P, Zhu, D.J, Chang, W.R, Liu, Z.F, Zhang, X.Z, Li, M.
登録日2017-05-23
公開日2017-09-20
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure and assembly mechanism of plant C2S2M2-type PSII-LHCII supercomplex
Science, 357, 2017
6DQ6
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BU of 6dq6 by Molmil
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N44 i.e. 3-((2-(pyridin-2-yl)-6-(4-(vinylsulfonyl)-1,4-diazepan-1-yl)pyrimidin-4-yl)amino)propanoic acid
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, Linked KDM5A Jmj Domain, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.587 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
6DQ5
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N43 i.e. 3-((6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoic acid
分子名称: Linked KDM5A Jmj Domain, MANGANESE (II) ION, N-[6-(4-acryloyl-1,4-diazepan-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]-beta-alanine
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
9JHP
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BU of 9jhp by Molmil
Cryo-EM structure of GPR4 complexed with miniG13 in pH6.8
分子名称: G-protein coupled receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Yue, X.L, Wu, L.J, Hua, T, Liu, Z.J.
登録日2024-09-10
公開日2025-04-23
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.35 Å)
主引用文献Structural basis of stepwise proton sensing-mediated GPCR activation.
Cell Res., 35, 2025
9JFV
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BU of 9jfv by Molmil
Cryo-EM structure of GPR4 complexed with miniGs/q in pH6.8
分子名称: G-protein coupled receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Yue, X.L, Wu, L.J, Hua, T, Liu, Z.J.
登録日2024-09-05
公開日2025-04-23
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (2.67 Å)
主引用文献Structural basis of stepwise proton sensing-mediated GPCR activation.
Cell Res., 35, 2025
9JFU
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BU of 9jfu by Molmil
Cryo-EM structure of inactive GPR4 with NE52-QQ57
分子名称: Anti-bril fab light chain, Anti-fab nanobody, G-protein coupled receptor 4,Soluble cytochrome b562, ...
著者Yue, X.L, Wu, L.J, Hua, T, Liu, Z.J.
登録日2024-09-05
公開日2025-04-23
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.23 Å)
主引用文献Structural basis of stepwise proton sensing-mediated GPCR activation.
Cell Res., 35, 2025
5J5N
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BU of 5j5n by Molmil
Crystal structure of the R39W mutant of Populus trichocarpa glutathione transferase PtGSTU30 in complex with glutathione
分子名称: GLUTATHIONE, Glutathione transferase family protein
著者Yang, Q, Gu, J, Yang, M, Zeng, Q.
登録日2016-04-03
公開日2017-04-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.629 Å)
主引用文献Functional and Structural Profiles of GST Gene Family from Three Populus Species Revealed the Sequence-function Decoupling of Orthologous Genes
To Be Published
9JFW
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BU of 9jfw by Molmil
Cryo-EM structure of GPR4 complexed with Gs in pH6.8
分子名称: G-protein coupled receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Yue, X.L, Wu, L.J, Hua, T, Liu, Z.J.
登録日2024-09-05
公開日2025-04-23
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Structural basis of stepwise proton sensing-mediated GPCR activation.
Cell Res., 35, 2025
9JFZ
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BU of 9jfz by Molmil
Cryo-EM structure of intermediate state GPR4 complexed with miniGs/q in pH7.5
分子名称: G-protein coupled receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Yue, X.L, Wu, L.J, Hua, T, Liu, Z.J.
登録日2024-09-05
公開日2025-04-23
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural basis of stepwise proton sensing-mediated GPCR activation.
Cell Res., 35, 2025
9JFX
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BU of 9jfx by Molmil
Cryo-EM structure of GPR4 complexed with miniGs/q in pH7.5
分子名称: G-protein coupled receptor 4, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Yue, X.L, Wu, L.J, Hua, T, Liu, Z.J.
登録日2024-09-05
公開日2025-04-23
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structural basis of stepwise proton sensing-mediated GPCR activation.
Cell Res., 35, 2025
6DQ4
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LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1
分子名称: 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.392 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
3DI6
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BU of 3di6 by Molmil
HIV-1 RT with pyridazinone non-nucleoside inhibitor
分子名称: 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one, Reverse transcriptase/ribonuclease H, p51 RT
著者Harris, S.F, Villasenor, A, Dunten, P.
登録日2008-06-19
公開日2008-08-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 18, 2008
7X5L
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BU of 7x5l by Molmil
Tir-dsDNA complex, the initial binding state
分子名称: DNA (5'-D(*AP*TP*AP*AP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*TP*AP*AP*TP*TP*AP*A)-3'), Flax rust resistance protein
著者Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
登録日2022-03-04
公開日2022-06-01
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.51 Å)
主引用文献TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
6DQ9
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Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid]
分子名称: 1,2-ETHANEDIOL, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Horton, J.R, Cheng, X.
登録日2018-06-10
公開日2018-11-21
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.748 Å)
主引用文献Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A.
J. Med. Chem., 61, 2018
7X5M
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BU of 7x5m by Molmil
Tir-dsDNA complex, the initial binding state
分子名称: 2',3'- cyclic AMP, DNA (5'-D(P*AP*TP*TP*AP*A)-3'), DNA (5'-D(P*AP*TP*TP*TP*A)-3'), ...
著者Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
登録日2022-03-05
公開日2022-06-01
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.42 Å)
主引用文献TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
7X5K
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BU of 7x5k by Molmil
Tir-dsDNA complex, the initial binding state
分子名称: DNA (43-MER), Flax rust resistance protein
著者Tan, Y, Xu, C, Yu, D, Song, W, Wu, B, Schulze-Lefert, P, Chai, J.
登録日2022-03-04
公開日2022-06-08
最終更新日2025-06-18
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献TIR domains of plant immune receptors are 2',3'-cAMP/cGMP synthetases mediating cell death.
Cell, 185, 2022
7RE9
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BU of 7re9 by Molmil
TCR mimic antibody (Fab fragment)
分子名称: DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain
著者Dasgupta, M, Baker, B.M.
登録日2021-07-12
公開日2022-07-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
7RE8
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BU of 7re8 by Molmil
Class I MHC (HLA-A*02) presenting alpha fetoprotein peptide (AFP)
分子名称: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, MHC class I antigen, ...
著者Dasgupta, M, Baker, B.M.
登録日2021-07-12
公開日2022-07-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022
7RE7
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BU of 7re7 by Molmil
TCR mimic antibody (Fab fragment) in complex with AFP/HLA-A*02
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-2-microglobulin, FORMIC ACID, ...
著者Dasgupta, M, Baker, B.M.
登録日2021-07-12
公開日2022-07-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.547 Å)
主引用文献Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022

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