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6JAU
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BU of 6jau by Molmil
The complex structure of Pseudomonas aeruginosa MucA/MucB.
分子名称: CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ...
著者Li, T, He, L.H, Li, C.C, Liu, L, Peng, C.T, Shen, Y.L, Qin, X.F, Xiao, Q.J, Zhu, Y.B, Song, Y.J, Zhao, N.l, Zhao, C, Yang, J, Mu, X.Y, Huang, Q, Bao, R.
登録日2019-01-25
公開日2020-01-29
最終更新日2020-08-19
実験手法X-RAY DIFFRACTION (1.905 Å)
主引用文献Molecular basis of the lipid-induced MucA-MucB dissociation in Pseudomonas aeruginosa.
Commun Biol, 3, 2020
7BOR
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BU of 7bor by Molmil
Structure of Pseudomonas aeruginosa CoA-bound OdaA
分子名称: COENZYME A, Probable enoyl-CoA hydratase/isomerase
著者Zhao, N, Zhao, C, Liu, L, Li, T, Li, C, He, L, Zhu, Y, Song, Y, Bao, R.
登録日2020-03-19
公開日2020-05-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Structural and molecular dynamic studies of Pseudomonas aeruginosa OdaA reveal the regulation role of a C-terminal hinge element.
Biochim Biophys Acta Gen Subj, 1865, 2020
5ZMR
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BU of 5zmr by Molmil
Solution Structure of the N-terminal Domain of the Yeast Rpn5
分子名称: 26S proteasome regulatory subunit RPN5
著者Zhang, W, Zhao, C, Li, H, Hu, Y, Jin, C.
登録日2018-04-05
公開日2018-09-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution structure of the N-terminal domain of proteasome lid subunit Rpn5
Biochem. Biophys. Res. Commun., 504, 2018
5T1A
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BU of 5t1a by Molmil
Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one, (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one, ...
著者Zheng, Y, Qin, L, Ortiz Zacarias, N.V, de Vries, H, Han, G.W, Gustavsson, M, Dabros, M, Zhao, C, Cherney, R.J, Carter, P, Stamos, D, Abagyan, R, Cherezov, V, Stevens, R.C, IJzerman, A.P, Heitman, L.H, Tebben, A, Kufareva, I, Handel, T.M.
登録日2016-08-18
公開日2016-12-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.806 Å)
主引用文献Structure of CC chemokine receptor 2 with orthosteric and allosteric antagonists.
Nature, 540, 2016
8GHF
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BU of 8ghf by Molmil
cryo-EM structure of hSlo1 in plasma membrane vesicles
分子名称: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CALCIUM ION, CHOLESTEROL, ...
著者Tao, X, Zhao, C, MacKinnon, R.
登録日2023-03-10
公開日2023-05-10
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Membrane protein isolation and structure determination in cell-derived membrane vesicles.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GHG
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Cryo-EM structure of hSlo1 in digitonin, Ca2+-free and EDTA-free
分子名称: Calcium-activated potassium channel subunit alpha-1
著者Tao, X, Zhao, C, MacKinnon, R.
登録日2023-03-10
公開日2023-05-10
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Membrane protein isolation and structure determination in cell-derived membrane vesicles.
Proc.Natl.Acad.Sci.USA, 120, 2023
8GH9
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BU of 8gh9 by Molmil
Cryo-EM structure of hSlo1 in total membrane vesicles
分子名称: Calcium-activated potassium channel subunit alpha-1
著者Tao, X, Zhao, C, MacKinnon, R.
登録日2023-03-09
公開日2023-05-10
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Membrane protein isolation and structure determination in cell-derived membrane vesicles.
Proc.Natl.Acad.Sci.USA, 120, 2023
7Y8W
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BU of 7y8w by Molmil
Crystal structure of DLC-1/SAO-1 complex
分子名称: Dynein light chain 1, cytoplasmic, GLYCEROL, ...
著者Yan, H, Zhao, C, Wei, Z, Yu, C.
登録日2022-06-24
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Interaction between DLC-1 and SAO-1 facilitates CED-4 translocation during apoptosis in the Caenorhabditis elegans germline.
Cell Death Discov, 8, 2022
6IGB
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BU of 6igb by Molmil
the structure of Pseudomonas aeruginosa Periplasmic gluconolactonase, PpgL
分子名称: ACETATE ION, Periplasmic gluconolactonase, PpgL, ...
著者Song, Y.J, Shen, Y.L, Wang, K.L, Li, T, Zhu, Y.B, Li, C.C, He, L.H, Zhao, N.L, Zhao, C, Yang, J, Huang, Q, Mu, X.Y.
登録日2018-09-25
公開日2018-11-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Structural and Functional Insights into PpgL, a Metal-Independent beta-Propeller Gluconolactonase That Contributes toPseudomonas aeruginosaVirulence.
Infect.Immun., 87, 2019
5YKJ
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BU of 5ykj by Molmil
Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
分子名称: GLYCEROL, Peroxiredoxin PRX1, mitochondrial, ...
著者Li, C.C, Yang, J, Yang, M.J, Liu, L, Peng, C.T, Li, T, He, L.H, Song, Y.J, Zhu, Y.B, Zhao, N.L, Zhao, C, Bao, R.
登録日2017-10-14
公開日2018-10-24
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
To be published
5YKW
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BU of 5ykw by Molmil
Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
分子名称: Thioredoxin-3, mitochondrial, peptide THR-PRO-VAL-CYS-THR-THR-GLU-VAL
著者Li, C.C, Yang, J, Yang, M.J, Liu, L, Peng, C.T, Li, T, He, L.H, Song, Y.J, Zhu, Y.B, Zhao, N.L, Zhao, C, Bao, R.
登録日2017-10-16
公開日2018-10-24
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural basis of the thiol resolving mechanism in yeast mitochondrial 1-Cys peroxiredoxin via glutathione/thioredoxin systems
to be published
5CB5
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BU of 5cb5 by Molmil
Structural Insights into the Mechanism of Escherichia coli Ymdb
分子名称: ACETATE ION, ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase, ...
著者Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J.
登録日2015-06-30
公開日2015-11-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
5CMS
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BU of 5cms by Molmil
Structural Insights into the Mechanism of Escherichia coli Ymdb
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase, SULFATE ION
著者Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J.
登録日2015-07-17
公開日2015-11-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
5CB3
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BU of 5cb3 by Molmil
Structural Insights into the Mechanism of Escherichia coli Ymdb
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, O-acetyl-ADP-ribose deacetylase
著者Zhang, W, Wang, C, Song, Y, Shao, C, Zhang, X, Zang, J.
登録日2015-06-30
公開日2015-11-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into the mechanism of Escherichia coli YmdB: A 2'-O-acetyl-ADP-ribose deacetylase
J.Struct.Biol., 192, 2015
1YT9
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BU of 1yt9 by Molmil
HIV Protease with oximinoarylsulfonamide bound
分子名称: (S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3 -((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE, Pol polyprotein
著者Yeung, C.M, Klein, L.L, Flentge, C.A, Randolph, J.T, Zhao, C, Sun, M, Dekhtyar, T, Stoll, V.S, Kempf, D.J.
登録日2005-02-10
公開日2005-04-12
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Oximinoarylsulfonamides as potent HIV protease inhibitors.
Bioorg.Med.Chem.Lett., 15, 2005
3EA3
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BU of 3ea3 by Molmil
Crystal Structure of the Y246S/Y247S/Y248S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis
分子名称: 1-phosphatidylinositol phosphodiesterase, MANGANESE (II) ION
著者Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F.
登録日2008-08-24
公開日2009-04-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Modulation of Bacillus thuringiensis Phosphatidylinositol-specific Phospholipase C Activity by Mutations in the Putative Dimerization Interface.
J.Biol.Chem., 284, 2009
3EA2
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BU of 3ea2 by Molmil
Crystal Structure of the Myo-inositol bound Y247S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, ZINC ION
著者Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F.
登録日2008-08-24
公開日2009-04-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Modulation of bacillus thuringiensis phosphatidylinositol-specific phospholipase C activity by mutations in the putative dimerization interface.
J.Biol.Chem., 284, 2009
3EA1
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BU of 3ea1 by Molmil
Crystal Structure of the Y247S/Y251S Mutant of Phosphatidylinositol-Specific Phospholipase C from Bacillus Thuringiensis
分子名称: 1-phosphatidylinositol phosphodiesterase, ZINC ION
著者Shi, X, Shao, C, Zhang, X, Zambonelli, C, Redfied, A.G, Head, J.F, Seaton, B.A, Roberts, M.F.
登録日2008-08-24
公開日2009-04-14
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Modulation of bacillus thuringiensis phosphatidylinositol-specific phospholipase C activity by mutations in the putative dimerization interface.
J.Biol.Chem., 284, 2009
5C1U
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BU of 5c1u by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound Xb
分子名称: (2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide, 3C proteinase
著者Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
登録日2015-06-15
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1X
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BU of 5c1x by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound VIII
分子名称: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase
著者Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
登録日2015-06-15
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C1Y
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BU of 5c1y by Molmil
Crystal structure of EV71 3C Proteinase in complex with Compound 1
分子名称: 3C proteinase, propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
著者Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
登録日2015-06-15
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
5C20
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Crystal structure of EV71 3C Proteinase in complex with Compound 2
分子名称: 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate, 3C proteinase
著者Zhang, L, Huang, G, Cai, Q, Zhao, C, Ren, H, Li, P, Li, N, Chen, S, Li, J, Lin, T.
登録日2015-06-15
公開日2016-06-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Optimize the interactions at S4 with efficient inhibitors targeting 3C proteinase from enterovirus 71
J.Mol.Recognit., 29, 2016
3MTV
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BU of 3mtv by Molmil
The Crystal Structure of the PRRSV Nonstructural Protein Nsp1
分子名称: Papain-like cysteine protease
著者Xue, F, Sun, Y.N, Yan, L.M, Zhao, C, Lou, Z.Y, Rao, Z.H.
登録日2010-04-30
公開日2010-05-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of porcine reproductive and respiratory syndrome virus nonstructural protein Nsp1beta reveals a novel metal-dependent nuclease
J.Virol., 84, 2010
2MX4
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BU of 2mx4 by Molmil
NMR structure of Phosphorylated 4E-BP2
分子名称: Eukaryotic translation initiation factor 4E-binding protein 2
著者Bah, A, Forman-Kay, J, Vernon, R, Siddiqui, Z, Krzeminski, M, Muhandiram, R, Zhao, C, Sonenberg, N, Kay, L.
登録日2014-12-10
公開日2015-01-07
最終更新日2015-03-18
実験手法SOLUTION NMR
主引用文献Folding of an intrinsically disordered protein by phosphorylation as a regulatory switch.
Nature, 519, 2015
5QD7
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Crystal structure of BACE complex with BMC014
分子名称: (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020

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