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3J0G
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BU of 3j0g by Molmil
Homology model of E3 protein of Venezuelan Equine Encephalitis Virus TC-83 strain fitted with a cryo-EM map
分子名称: E3 protein
著者Zhang, R, Hryc, C.F, Chiu, W.
登録日2011-07-21
公開日2011-08-24
最終更新日2023-07-26
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献4.4 angstrom cryo-EM structure of an enveloped alphavirus Venezuelan equine encephalitis virus.
Embo J., 30, 2011
8HCL
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BU of 8hcl by Molmil
zebrafish IRF-10 DBD complex with DNA
分子名称: DNA (5'-D(P*AP*CP*TP*TP*TP*CP*AP*CP*TP*TP*CP*A)-3'), DNA (5'-D(P*TP*GP*AP*AP*GP*TP*GP*AP*AP*AP*GP*T)-3'), Interferon regulatory factor 10
著者Wang, Z.X, Zhang, Y.A, Ouyang, S.Y.
登録日2022-11-01
公開日2024-05-15
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystal Structures of DNA-bound Fish IRF10 and IRF11 Reveal the Determinants of IFN Regulation.
J Immunol., 213, 2024
8HCM
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BU of 8hcm by Molmil
zebrafish IRF-11 DBD complex with DNA
分子名称: DNA (5'-D(P*GP*CP*TP*TP*TP*CP*AP*CP*TP*TP*TP*CP*TP*A)-3'), DNA (5'-D(P*TP*AP*GP*AP*AP*AP*GP*TP*GP*AP*AP*AP*GP*C)-3'), Interferon regulatory factor
著者Wang, Z.X, Zhang, Y.A, Ouyang, S.Y.
登録日2022-11-02
公開日2024-05-15
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal Structures of DNA-bound Fish IRF10 and IRF11 Reveal the Determinants of IFN Regulation.
J Immunol., 213, 2024
8HCS
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BU of 8hcs by Molmil
zebrafish IRF-11 DBD
分子名称: Interferon regulatory factor
著者Wang, Z.X, Zhang, Y.A, Ouyang, S.Y.
登録日2022-11-03
公開日2024-05-15
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal Structures of DNA-bound Fish IRF10 and IRF11 Reveal the Determinants of IFN Regulation.
J Immunol., 213, 2024
4Y2A
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BU of 4y2a by Molmil
Crystal Structure of Coxsackie Virus B3 3D polymerase in complex with GPC-N114 inhibitor
分子名称: 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ...
著者Vives-Adrian, L, Ferrer-Orta, C, Verdaguer, N.
登録日2015-02-09
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
6KSF
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BU of 6ksf by Molmil
Crystal Structure of ALKBH1 bound to 21-mer DNA bulge
分子名称: Alpha-ketoglutarate-dependent dioxygenase alkB homolog 1, CHLORIDE ION, DNA (5'-D(*DGP*DCP*DTP*DGP*DAP*DGP*DTP*DGP*DCP*DCP*DCP*DGP*DCP*DGP*DTP*DGP*DCP*DTP*DGP*DGP*DAP*DTP*DCP*DC)-3'), ...
著者Li, H, Zhang, M.
登録日2019-08-23
公開日2020-04-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mammalian ALKBH1 serves as an N6-mA demethylase of unpairing DNA.
Cell Res., 30, 2020
4Y2I
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BU of 4y2i by Molmil
Gold ion bound to GolB
分子名称: GOLD ION, Putative metal-binding transport protein
著者Wei, W, Wang, F, Ma, L, Zhao, J.
登録日2015-02-10
公開日2016-02-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB
J.Am.Chem.Soc., 137, 2015
7WSB
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BU of 7wsb by Molmil
The ternary complex structure of FtmOx1 with a-ketoglutarate and 13-oxo-fumitremorgin B
分子名称: 13-Oxofumitremorgin B, 2-OXOGLUTARIC ACID, COBALT (II) ION, ...
著者Wang, J, Wang, X.Y, Wang, Y.Y, Yan, W.P.
登録日2022-01-28
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Dissecting the Mechanism of the Nonheme Iron Endoperoxidase FtmOx1 Using Substrate Analogues.
Jacs Au, 2, 2022
4Y2K
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BU of 4y2k by Molmil
reduced form of apo-GolB
分子名称: Putative metal-binding transport protein
著者Wei, W, Wang, F, Ma, L, Zhao, J.
登録日2015-02-10
公開日2016-02-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB
J.Am.Chem.Soc., 137, 2015
4Y34
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BU of 4y34 by Molmil
Crystal Structure of Coxsackievirus B3 3D polymerase in complex with GPC-N143
分子名称: 2,2'-[(4-fluorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), 3D polymerase, GLYCEROL, ...
著者Vives-Adrian, L, Ferrer-Orta, C, Cerdaguer, N.
登録日2015-02-10
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
4Y3C
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I304V 3D polymerase mutant of EMCV
分子名称: 3D polymerase, CHLORIDE ION, GLYCEROL
著者Verdaguer, N, Ferrer-Orta, C, Vives-Adrian, L.
登録日2015-02-10
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
4Y2C
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BU of 4y2c by Molmil
M300V 3D polymerase mutant of EMCV
分子名称: GLYCEROL, Genome polyprotein
著者Verdaguer, N, Ferrer-Orta, C, Vives-Adrian, L.
登録日2015-02-09
公開日2015-04-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11, 2015
3KK1
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BU of 3kk1 by Molmil
HIV-1 reverse transcriptase-DNA complex with nuceotide inhibitor GS-9148-diphosphate bound in nucleotide site
分子名称: 5'-D(*A*TP*GP*GP*TP*GP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', 5'-D(*AP*CP*A*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DOC))-3', MAGNESIUM ION, ...
著者Lansdon, E.B.
登録日2009-11-04
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Visualizing the molecular interactions of a nucleotide analog, GS-9148, with HIV-1 reverse transcriptase-DNA complex.
J.Mol.Biol., 397, 2010
3KK3
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BU of 3kk3 by Molmil
HIV-1 reverse transcriptase-DNA complex with GS-9148 terminated primer
分子名称: 5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*C*(URT))-3', 5'-D(*AP*TP*GP*GP*TP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ...
著者Lansdon, E.B.
登録日2009-11-04
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Visualizing the molecular interactions of a nucleotide analog, GS-9148, with HIV-1 reverse transcriptase-DNA complex.
J.Mol.Biol., 397, 2010
4Y2M
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BU of 4y2m by Molmil
apo-GolB protein
分子名称: GOLD ION, Putative metal-binding transport protein
著者Wei, W, Zhao, J, Wang, F.
登録日2015-02-10
公開日2016-02-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Insights and the Surprisingly Low Mechanical Stability of the Au-S Bond in the Gold-Specific Protein GolB
J.Am.Chem.Soc., 137, 2015
3KJV
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BU of 3kjv by Molmil
HIV-1 reverse transcriptase in complex with DNA
分子名称: 5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DOC))-3', 5'-D(*AP*TP*GP*GP*TP*GP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ...
著者Lansdon, E.B.
登録日2009-11-03
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Visualizing the molecular interactions of a nucleotide analog, GS-9148, with HIV-1 reverse transcriptase-DNA complex.
J.Mol.Biol., 397, 2010
3KK2
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BU of 3kk2 by Molmil
HIV-1 reverse transcriptase-DNA complex with dATP bound in the nucleotide binding site
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 5'-D(*A*TP*GP*GP*TP*GP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', 5'-D(*AP*CP*A*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DOC))-3', ...
著者Lansdon, E.B.
登録日2009-11-04
公開日2010-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Visualizing the molecular interactions of a nucleotide analog, GS-9148, with HIV-1 reverse transcriptase-DNA complex.
J.Mol.Biol., 397, 2010
4H3G
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Structure of BACE Bound to 2-((7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-2-imino-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-6(2H)-yl)nicotinonitrile
分子名称: 2-{(2E,4aR,7aR)-7a-[4-(3-cyanophenyl)thiophen-2-yl]-2-imino-3-methyl-4-oxooctahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}pyridine-3-carbonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Mandal, M.
登録日2012-09-13
公開日2012-11-07
最終更新日2012-11-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
4HA5
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BU of 4ha5 by Molmil
Structure of BACE Bound to (S)-3-(5-(2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl)thiophen-3-yl)benzonitrile
分子名称: 3-{5-[(2E,4S)-2-imino-1,4-dimethyl-6-oxohexahydropyrimidin-4-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Strickland, C, Mandal, M.
登録日2012-09-25
公開日2012-10-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
5UBM
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BU of 5ubm by Molmil
Crystal structure of human C1s in complex with inhibitor gigastasin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C1s subcomponent, Gigastasin
著者Pang, S.S, Whisstock, J.C.
登録日2016-12-20
公開日2017-11-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Structural Basis for Complement Inhibition by Gigastasin, a Protease Inhibitor from the Giant Amazon Leech.
J. Immunol., 199, 2017
4H1E
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BU of 4h1e by Molmil
Structure of BACE-1 Bound to (7aR)-6-benzoyl-7a-(4-(3-cyanophenyl)thiophen-2-yl)-3-methyl-4-oxohexahydro-1H-pyrrolo[3,4-d]pyrimidin-2(3H)-iminium
分子名称: 3-{5-[(2E,4aR,7aR)-6-benzoyl-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1
著者Orth, P.
登録日2012-09-10
公開日2012-10-17
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Design and Validation of Bicyclic Iminopyrimidinones As Beta Amyloid Cleaving Enzyme-1 (BACE1) Inhibitors: Conformational Constraint to Favor a Bioactive Conformation.
J.Med.Chem., 55, 2012
8KHQ
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BU of 8khq by Molmil
Bifunctional sulfoxide synthase OvoA_Th2 in complex with histidine and cysteine
分子名称: 5-histidylcysteine sulfoxide synthase/putative 4-mercaptohistidine N1-methyltranferase, COBALT (II) ION, CYSTEINE, ...
著者Wang, J, Ye, K, Wang, X.Y, Yan, W.P.
登録日2023-08-22
公開日2023-12-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Biochemical and Structural Characterization of OvoA Th2 : A Mononuclear Nonheme Iron Enzyme from Hydrogenimonas thermophila for Ovothiol Biosynthesis.
Acs Catalysis, 13, 2023
4E4K
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Crystal Structure of PPARgamma with the ligand JO21
分子名称: (2S)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E.
登録日2012-03-13
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression.
J.Med.Chem., 56, 2013
4E4Q
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BU of 4e4q by Molmil
Crystal structure of PPARgamma with the ligand FS214
分子名称: (2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid, Peroxisome proliferator-activated receptor gamma
著者Pochetti, G, Montanari, R, Loiodice, F, Fracchiolla, G, Laghezza, A, Carbonara, G, Piemontese, L, Lavecchia, A, Novellino, E.
登録日2012-03-13
公開日2013-01-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献New 2-(Aryloxy)-3-phenylpropanoic Acids as Peroxisome Proliferator-Activated Receptor alpha/gamma Dual Agonists Able To Upregulate Mitochondrial Carnitine Shuttle System Gene Expression.
J.Med.Chem., 56, 2013
3L3M
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PARP complexed with A927929
分子名称: 2-{2-fluoro-4-[(2S)-piperidin-2-yl]phenyl}-1H-benzimidazole-7-carboxamide, Poly [ADP-ribose] polymerase 1
著者Park, C.H.
登録日2009-12-17
公開日2010-06-23
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Optimization of phenyl-substituted benzimidazole carboxamide poly(ADP-ribose) polymerase inhibitors: identification of (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide (A-966492), a highly potent and efficacious inhibitor.
J.Med.Chem., 53, 2010

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