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7ASH
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BU of 7ash by Molmil
HIV-1 Gag immature lattice. GagdeltaMASP1T8I
分子名称: Gag protein
著者Mendonca, L, Zhang, P.
登録日2020-10-27
公開日2021-06-23
最終更新日2022-03-23
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献CryoET structures of immature HIV Gag reveal six-helix bundle.
Commun Biol, 4, 2021
7YV8
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BU of 7yv8 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with golden hamster ACE2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ...
著者Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
登録日2022-08-18
公開日2023-07-19
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7YVU
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Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with mouse ACE2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
著者Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
登録日2022-08-19
公開日2023-07-19
最終更新日2023-08-02
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
2AX5
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BU of 2ax5 by Molmil
Solution Structure of Urm1 from Saccharomyces Cerevisiae
分子名称: Hypothetical 11.0 kDa protein in FAA3-MAS3 intergenic region
著者Xu, J, Huang, H, Zhang, J, Wu, J, Shi, Y.
登録日2005-09-03
公開日2006-06-27
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of Urm1 and its implications for the origin of protein modifiers.
Proc.Natl.Acad.Sci.Usa, 103, 2006
6YJ5
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Focused refinement cryo-EM structure of the yeast mitochondrial complex I sub-stoichiometric sulfur transferase subunit
分子名称: Rhodanese-like domain-containing protein
著者Hirst, J, Grba, D.
登録日2020-04-02
公開日2020-08-12
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6Y9X
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Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,7)
分子名称: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2020-03-10
公開日2020-08-19
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
7BQK
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The structure of PdxI in complex with its substrate analogue
分子名称: 1,2-ETHANEDIOL, 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one, GLYCEROL, ...
著者Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
登録日2020-03-24
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQL
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The crystal structure of PdxI complex with the Alder-ene adduct
分子名称: 3-[(1R,2S,4R,6S)-2-ethenyl-4,6-dimethyl-cyclohexyl]-4-oxidanyl-1H-pyridin-2-one, DI(HYDROXYETHYL)ETHER, Methyltransf_2 domain-containing protein
著者Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
登録日2020-03-24
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献An enzymatic Alder-ene reaction.
Nature, 586, 2020
6Y9Z
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Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,9)
分子名称: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2020-03-10
公開日2020-08-19
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
7BQJ
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The structure of PdxI
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Methyltransf_2 domain-containing protein, ...
著者Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
登録日2020-03-24
公開日2020-10-14
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQO
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The structure of HpiI in complex with its substrate analogue
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(E,2S,4S)-2,4-dimethyloct-6-enoyl]-4-oxidanyl-1H-pyridin-2-one, GLYCEROL, ...
著者Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
登録日2020-03-25
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献An enzymatic Alder-ene reaction.
Nature, 586, 2020
7BQP
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BU of 7bqp by Molmil
The structure of HpiI
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Cai, Y.J, Ohashi, M, Zhou, J.H, Tang, Y.
登録日2020-03-25
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献An enzymatic Alder-ene reaction.
Nature, 586, 2020
6Y9V
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BU of 6y9v by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-8,13)
分子名称: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2020-03-10
公開日2020-08-19
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (6.9 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6Y9Y
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BU of 6y9y by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-7,13)
分子名称: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2020-03-10
公開日2020-08-19
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6Y9W
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BU of 6y9w by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,8)
分子名称: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
著者Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
登録日2020-03-10
公開日2020-08-19
最終更新日2021-02-10
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
2F5K
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BU of 2f5k by Molmil
Crystal structure of the chromo domain of human MRG15
分子名称: Mortality factor 4-like protein 1
著者Zhang, P, Du, J, Ding, J.
登録日2005-11-26
公開日2006-11-14
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of human MRG15 chromo domain and its binding to Lys36-methylated histone H3.
Nucleic Acids Res., 34, 2006
6W0Z
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Structure of KHK in complex with compound 8 (2-[(1~{S},5~{R})-3-[2-[(2~{S})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid)
分子名称: 2-[(1~{S},5~{R})-3-[2-[(2~{S})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid, Ketohexokinase, SULFATE ION
著者Jasti, J.
登録日2020-03-03
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
6W0X
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Structure of KHK in complex with compound 4 (6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile)
分子名称: 6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, Ketohexokinase, SULFATE ION
著者Jasti, J.
登録日2020-03-03
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
6W0W
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Structure of KHK in complex with compound 3
分子名称: 6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, Ketohexokinase, SULFATE ION
著者Jasti, J.
登録日2020-03-03
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
6W0Y
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Structure of KHK in complex with compound 6 (2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid)
分子名称: 2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid, Ketohexokinase, SULFATE ION
著者Jasti, J.
登録日2020-03-03
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
6W0N
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Structure of KHK in complex with compound 2
分子名称: 6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, Ketohexokinase, ...
著者Jasti, J.
登録日2020-03-02
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Discovery of PF-06835919: A Potent Inhibitor of Ketohexokinase (KHK) for the Treatment of Metabolic Disorders Driven by the Overconsumption of Fructose.
J.Med.Chem., 63, 2020
6RJK
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Structure of virulence factor SghA from Agrobacterium tumefaciens
分子名称: Beta-glucosidase
著者Ye, F.Z, Wang, C, Chang, C.Q, Zhang, L.H, Gao, Y.G.
登録日2019-04-27
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Agrobacteria reprogram virulence gene expression by controlled release of host-conjugated signals.
Proc.Natl.Acad.Sci.USA, 116, 2019
5HSM
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CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN RV2887
分子名称: SULFATE ION, Uncharacterized HTH-type transcriptional regulator Rv2887
著者Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J.
登録日2016-01-26
公開日2017-02-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis
Sci Rep, 7, 2017
5HSO
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Crystal structure of MYCOBACTERIUM TUBERCULOSIS MARR FAMILY PROTEIN Rv2887 complex with DNA
分子名称: DNA (30-MER), the upstream sequence of Rv0560c, Uncharacterized HTH-type transcriptional regulator Rv2887
著者Gao, Y.R, Li, D.F, Wang, D.C, Bi, L.J.
登録日2016-01-26
公開日2017-02-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural analysis of the regulatory mechanism of MarR protein Rv2887 in M. tuberculosis
Sci Rep, 7, 2017
8YSA
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The co-crystal structure of SARS-CoV-2 Mpro in complex with compound H102
分子名称: 3C-like proteinase nsp5, BOC-TBG-PHE-ELL
著者Zheng, W.Y, Fu, L.F, Feng, Y, Han, P, Qi, J.X.
登録日2024-03-22
公開日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery, Biological Activity, and Structural Mechanism of a Potent Inhibitor of SARS-CoV-2 Main Protease
To Be Published

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件を2024-05-29に公開中

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