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7VX0
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The structure of GdmN complex with ATP
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, FE (III) ION, ...
著者Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
登録日2021-11-12
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VYP
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BU of 7vyp by Molmil
The structure of GdmN complex with the natural tetrahedral intermediate, carbamoylated derivative, and AMP
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, FE (III) ION, ...
著者Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
登録日2021-11-15
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
7VYJ
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BU of 7vyj by Molmil
The structure of GdmN in complex with carbamoyl adenylate intermediate
分子名称: 1,2-ETHANEDIOL, 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, DI(HYDROXYETHYL)ETHER, ...
著者Wei, J, Zheng, J, Zhou, J, Kang, Q, Bai, L.
登録日2021-11-14
公開日2022-11-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Endowing homodimeric carbamoyltransferase GdmN with iterative functions through structural characterization and mechanistic studies.
Nat Commun, 13, 2022
6AJH
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BU of 6ajh by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with AU1235
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 1-(2-adamantyl)-3-[2,3,4-tris(fluoranyl)phenyl]urea, Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.818 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
8HDO
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BU of 8hdo by Molmil
Structure of A2BR bound to synthetic agonists BAY 60-6583
分子名称: 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide, Adenosine A2b receptor, CHOLESTEROL, ...
著者Cai, H, Xu, Y, Xu, H.E, Jiang, Y.
登録日2022-11-05
公開日2023-01-18
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists.
Cell Discov, 8, 2022
8HDP
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BU of 8hdp by Molmil
Structure of A2BR bound to endogenous agonists adenosine
分子名称: ADENOSINE, Adenosine A2b receptor, CHOLESTEROL, ...
著者Cai, H, Xu, Y, Xu, H.E, Jiang, Y.
登録日2022-11-05
公開日2023-01-18
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists.
Cell Discov, 8, 2022
6AJI
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BU of 6aji by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with Rimonabant
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6AJF
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Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, Drug exporters of the RND superfamily-like protein,Endolysin, alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.698 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6AJG
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BU of 6ajg by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with SQ109
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, DODECYL-BETA-D-MALTOSIDE, Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.604 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6AJJ
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BU of 6ajj by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with ICA38
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6LZE
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BU of 6lze by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11a
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
著者Zhang, B, Zhang, Y, Jing, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
登録日2020-02-19
公開日2020-04-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.505 Å)
主引用文献Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
6M0K
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BU of 6m0k by Molmil
The crystal structure of COVID-19 main protease in complex with an inhibitor 11b
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
著者Zhang, B, Zhao, Y, Jin, Z, Liu, X, Yang, H, Liu, H, Rao, Z, Jiang, H.
登録日2020-02-22
公開日2020-04-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.504 Å)
主引用文献Structure-based design of antiviral drug candidates targeting the SARS-CoV-2 main protease.
Science, 368, 2020
8I2H
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BU of 8i2h by Molmil
Follicle stimulating hormone receptor
分子名称: Follicle-stimulating hormone receptor
著者Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E.
登録日2023-01-14
公開日2023-03-22
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (6 Å)
主引用文献Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor.
Nat Commun, 14, 2023
8I2G
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BU of 8i2g by Molmil
FSHR-Follicle stimulating hormone-compound 716340-Gs complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
著者Duan, J, Xu, P, Yang, J, Ji, Y, Zhang, H, Mao, C, Luan, X, Jiang, Y, Zhang, Y, Zhang, S, Xu, H.E.
登録日2023-01-14
公開日2023-03-29
最終更新日2023-04-05
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Mechanism of hormone and allosteric agonist mediated activation of follicle stimulating hormone receptor.
Nat Commun, 14, 2023
8HK5
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BU of 8hk5 by Molmil
C5aR1-Gi-C5a protein complex
分子名称: C5a anaphylatoxin chemotactic receptor 1, Complement C5, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
登録日2022-11-24
公開日2023-05-10
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
8HK3
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BU of 8hk3 by Molmil
C3aR-Gi-apo protein complex
分子名称: C3a anaphylatoxin chemotactic receptor, 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Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
登録日2022-11-24
公開日2023-05-10
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
8HK2
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BU of 8hk2 by Molmil
C3aR-Gi-C3a protein complex
分子名称: C3a anaphylatoxin, C3a anaphylatoxin chemotactic receptor, CHOLESTEROL, ...
著者Wang, Y, Liu, W, Xu, Y, Zhuang, Y, Xu, H.E.
登録日2022-11-24
公開日2023-05-10
最終更新日2023-11-08
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Revealing the signaling of complement receptors C3aR and C5aR1 by anaphylatoxins.
Nat.Chem.Biol., 19, 2023
4OC8
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BU of 4oc8 by Molmil
DNA modification-dependent restriction endonuclease AspBHI
分子名称: PHOSPHATE ION, restriction endonuclease AspBHI
著者Horton, J.R.
登録日2014-01-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.884 Å)
主引用文献Structure and mutagenesis of the DNA modification-dependent restriction endonuclease AspBHI.
Sci Rep, 4, 2014
5Z1V
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BU of 5z1v by Molmil
Crystal structure of AvrPib
分子名称: AvrPib protein
著者Zhang, X, He, D, Zhao, Y.X, Taylor, I.A, Peng, Y.L, Yang, J, Liu, J.F.
登録日2017-12-28
公開日2018-09-05
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (1.661 Å)
主引用文献A positive-charged patch and stabilized hydrophobic core are essential for avirulence function of AvrPib in the rice blast fungus.
Plant J., 96, 2018
6O4W
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BU of 6o4w by Molmil
Binary complex of native hAChE with Donepezil
分子名称: 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, Acetylcholinesterase, GLYCEROL, ...
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O52
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BU of 6o52 by Molmil
Room temperature structure of binary complex of native hAChE with BW284c51
分子名称: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O50
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BU of 6o50 by Molmil
Binary complex of native hAChE with BW284c51
分子名称: 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase, GLYCEROL, ...
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.352 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6O4X
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Binary complex of native hAChE with 9-aminoacridine
分子名称: 9-AMINOACRIDINE, Acetylcholinesterase, GLYCEROL, ...
著者Gerlits, O, Kovalevsky, A, Radic, Z.
登録日2019-03-01
公開日2019-06-19
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
6OY3
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BU of 6oy3 by Molmil
nhTMEM16 L302A +Ca2+ in nanodiscs
分子名称: CALCIUM ION, nhTMEM16
著者Falzone, M, Lee, B.C, Accardi, A.
登録日2019-05-14
公開日2019-11-06
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Dynamic modulation of the lipid translocation groove generates a conductive ion channel in Ca 2+ -bound nhTMEM16.
Nat Commun, 10, 2019
7LUX
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BU of 7lux by Molmil
AALALL segment from the Nucleoprotein of SARS-CoV-2, residues 217-222, crystal form 2
分子名称: Nucleoprotein AALALL, TETRAETHYLENE GLYCOL
著者Lu, J, Zee, C.-T, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S.
登録日2021-02-23
公開日2021-03-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.303 Å)
主引用文献Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021

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件を2024-07-24に公開中

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