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3JYL
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BU of 3jyl by Molmil
Crystal structures of Pseudomonas syringae pv. Tomato DC3000 quinone oxidoreductase
分子名称: Quinone oxidoreductase
著者Pan, X, Zhang, H, Gao, Y, Li, M, Chang, W.
登録日2009-09-22
公開日2010-01-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of Pseudomonas syringae pv. tomato DC3000 quinone oxidoreductase and its complex with NADPH
Biochem.Biophys.Res.Commun., 390, 2009
3JB6
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BU of 3jb6 by Molmil
In situ structures of the segmented genome and RNA polymerase complex inside a dsRNA virus
分子名称: GUANOSINE-5'-TRIPHOSPHATE, RNA-dependent RNA polymerase, VP1 CSP, ...
著者Zhang, X, Ding, K, Yu, X.K, Chang, W, Sun, J.C, Zhou, Z.H.
登録日2015-08-02
公開日2015-10-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献In situ structures of the segmented genome and RNA polymerase complex inside a dsRNA virus.
Nature, 527, 2015
3JB7
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BU of 3jb7 by Molmil
In situ structures of the segmented genome and RNA polymerase complex inside a dsRNA virus
分子名称: CPV RNA-dependent RNA polymerase, CYTIDINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Zhang, X, Ding, K, Yu, X.K, Chang, W, Sun, J.C, Zhou, Z.H.
登録日2015-08-03
公開日2015-10-28
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献In situ structures of the segmented genome and RNA polymerase complex inside a dsRNA virus.
Nature, 527, 2015
1RWT
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BU of 1rwt by Molmil
Crystal Structure of Spinach Major Light-harvesting complex at 2.72 Angstrom Resolution
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Liu, Z, Yan, H, Wang, K, Kuang, T, Zhang, J, Gui, L, An, X, Chang, W.
登録日2003-12-17
公開日2004-03-30
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Crystal structure of spinach major light-harvesting complex at 2.72 A resolution
Nature, 428, 2004
1Z28
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Crystal Structures of SULT1A2 and SULT1A1*3: Implications in the bioactivation of N-hydroxy-2-acetylamino fluorine (OH-AAF)
分子名称: ADENOSINE-3'-5'-DIPHOSPHATE, Phenol-sulfating phenol sulfotransferase 1
著者Lu, J, Li, H, Liu, M.C, Zhang, J, Li, M, An, X, Chang, W.
登録日2005-03-07
公開日2006-05-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of SULT1A2 and SULT1A1 *3: insights into the substrate inhibition and the role of Tyr149 in SULT1A2.
Biochem.Biophys.Res.Commun., 396, 2010
1Z29
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BU of 1z29 by Molmil
Crystal Structures of SULT1A2 and SULT1A1*3: Implications in the bioactivation of N-hydroxy-2-acetylamino fluorine (OH-AAF)
分子名称: ACETIC ACID, ADENOSINE-3'-5'-DIPHOSPHATE, CALCIUM ION, ...
著者Lu, J, Li, H, Liu, M.C, Zhang, J, Li, M, An, X, Chang, W.
登録日2005-03-07
公開日2006-05-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of SULT1A2 and SULT1A1 *3: insights into the substrate inhibition and the role of Tyr149 in SULT1A2.
Biochem.Biophys.Res.Commun., 396, 2010
7XRQ
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BU of 7xrq by Molmil
The Catalytic Core Structure of Cystathionine beta-Synthase from Candida albicans
分子名称: Cystathionine beta-synthase, PHOSPHATE ION
著者Lou, H.X, Yu, H.N, Chang, W.Q.
登録日2022-05-11
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Inhibition of fungal pathogenicity by targeting the H 2 S-synthesizing enzyme cystathionine beta-synthase.
Sci Adv, 8, 2022
3VOP
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BU of 3vop by Molmil
Structure of Vaccinia virus A27
分子名称: DI(HYDROXYETHYL)ETHER, Protein A27
著者Chang, T.H, Ko, T.P, Hsieh, F.L, Wang, A.H.J.
登録日2012-01-31
公開日2013-03-06
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of vaccinia viral A27 protein reveals a novel structure critical for its function and complex formation with A26 protein.
Plos Pathog., 9, 2013
6U38
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BU of 6u38 by Molmil
PCSK9 in complex with a Fab and compound 8
分子名称: 2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ...
著者Lu, J, Soisson, S.
登録日2019-08-21
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6U2N
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BU of 6u2n by Molmil
PCSK9 in complex with compound 4
分子名称: 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Proprotein convertase subtilisin/kexin type 9
著者Lu, J, Soisson, S.
登録日2019-08-20
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6O9D
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BU of 6o9d by Molmil
Structure of the IRAK4 kinase domain with compound 5
分子名称: Interleukin-1 receptor-associated kinase 4, N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
著者Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
登録日2019-03-13
公開日2019-05-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6O8U
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BU of 6o8u by Molmil
Crystal structure of IRAK4 in complex with compound 23
分子名称: GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ...
著者Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J.
登録日2019-03-12
公開日2019-05-22
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
7MHC
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BU of 7mhc by Molmil
Structure of human STING in complex with MK-1454
分子名称: (2R,5R,7R,8S,10R,12aR,14R,15S,15aR,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein
著者Lesburg, C.A.
登録日2021-04-15
公開日2022-04-06
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A kinase-cGAS cascade to synthesize a therapeutic STING activator.
Nature, 603, 2022
5IE3
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BU of 5ie3 by Molmil
Crystal structure of a plant enzyme
分子名称: ADENOSINE MONOPHOSPHATE, OXALIC ACID, Oxalate--CoA ligase
著者Fan, M.R, Li, M, Chang, W.R.
登録日2016-02-24
公開日2016-12-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structures of Arabidopsis thaliana Oxalyl-CoA Synthetase Essential for Oxalate Degradation
Mol Plant, 9, 2016
6O95
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BU of 6o95 by Molmil
Structure of the IRAK4 kinase domain with compound 41
分子名称: Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION
著者Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
登録日2019-03-13
公開日2019-05-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6O94
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BU of 6o94 by Molmil
Structure of the IRAK4 kinase domain with compound 17
分子名称: CALCIUM ION, Interleukin-1 receptor-associated kinase 4, N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
著者Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
登録日2019-03-13
公開日2019-05-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6UJV
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BU of 6ujv by Molmil
Model of the HIV-1 gp41 membrane-proximal external region, transmembrane domain and cytoplasmic tail (LLP2)
分子名称: Envelope glycoprotein GP41
著者Piai, A, Fu, Q, Cai, Y, Ghantous, F, Xiao, T, Shaik, M.M, Peng, H, Rits-Volloch, S, Liu, Z, Chen, W, Seaman, M.S, Chen, B, Chou, J.J.
登録日2019-10-03
公開日2020-05-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis of transmembrane coupling of the HIV-1 envelope glycoprotein.
Nat Commun, 11, 2020
7YR5
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BU of 7yr5 by Molmil
Embigin facilitates monocarboxylate transporter 1 localization to plasma membrane and transition to a decoupling state
分子名称: Embigin, Monocarboxylate transporter 1
著者Xu, B, Ye, S.
登録日2022-08-08
公開日2022-09-28
実験手法ELECTRON MICROSCOPY (3.63 Å)
主引用文献Embigin facilitates monocarboxylate transporter 1 localization to the plasma membrane and transition to a decoupling state.
Cell Rep, 40, 2022
5JYN
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BU of 5jyn by Molmil
Structure of the transmembrane domain of HIV-1 gp41 in bicelle
分子名称: Envelope glycoprotein gp160
著者Dev, J, Fu, Q, Park, D, Chen, B, Chou, J.J.
登録日2016-05-14
公開日2016-06-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis for membrane anchoring of HIV-1 envelope spike.
Science, 353, 2016
6U36
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BU of 6u36 by Molmil
PCSK9 in complex with a Fab and compound 14
分子名称: 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid, Fab Heavy Chain, Fab Light Chain, ...
著者Lu, J, Soisson, S.
登録日2019-08-21
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6UKM
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BU of 6ukm by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound MSA-2
分子名称: 4-(5,6-dimethoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-05
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKU
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BU of 6uku by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 3
分子名称: 4,4'-[propane-1,3-diylbis(6-methoxy-1-benzothiene-5,2-diyl)]bis(4-oxobutanoic acid), fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-06
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UL0
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BU of 6ul0 by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 4
分子名称: 4-{5-[(1Z)-3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}prop-1-en-1-yl]-6-methoxy-1-benzothiophen-2-yl}-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-06
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6U3X
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PCSK9 in complex with compound 2
分子名称: 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide, Proprotein convertase subtilisin/kexin type 9
著者Lu, J, Soisson, S.
登録日2019-08-22
公開日2019-11-06
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献From Screening to Targeted Degradation: Strategies for the Discovery and Optimization of Small Molecule Ligands for PCSK9.
Cell Chem Biol, 27, 2020
6UKV
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BU of 6ukv by Molmil
STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 9
分子名称: 4-[6-(3-{[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-5-yl]oxy}propoxy)-5-methoxy-1-benzothiophen-2-yl]-4-oxobutanoic acid, fusion protein of Ubiquitin-like protein SMT3 and Stimulator of interferon protein c-terminal domain
著者Lesburg, C.A.
登録日2019-10-06
公開日2020-08-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020

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