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6UKW
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STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 10
分子名称: 4-[6-(3-{[2-(3-carboxypropanoyl)-4-fluoro-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 (1.97 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6UKY
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STING C-terminal Domain Complexed with Non-cyclic Dinucleotide Compound 12
分子名称: 4-(6-{3-[2-(3-carboxypropanoyl)-6-methoxy-1-benzothiophen-4-yl]propyl}-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 (1.95 Å)
主引用文献An orally available non-nucleotide STING agonist with antitumor activity.
Science, 369, 2020
6IRE
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BU of 6ire by Molmil
Complex structure of INAD PDZ45 and NORPA CC-PBM
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase, Inactivation-no-after-potential D protein
著者Ye, F, Li, J, Deng, X, Liu, W, Zhang, M.
登録日2018-11-12
公開日2019-01-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors.
Elife, 7, 2018
7E7X
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BU of 7e7x by Molmil
SARS-CoV-2 Spike Protein N terminal domain in Complex with N11 Fab
分子名称: N11 Fab Light chain, N11 Fab heavy chain, Spike protein S1
著者Zhang, Z, Shuo, D, Xiao, J.
登録日2021-02-28
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E7Y
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BU of 7e7y by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-623 Fab
分子名称: BD-623 Fab H, BD-623 Fab L, Spike protein S1
著者Wei, Y, Xiao, J.
登録日2021-02-28
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E88
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Crystal structure of the SARS-CoV-2 S RBD in complex with BD-515 Fab
分子名称: BD-515 Fab Heavy Chain, BD-515 Fab Light Chain, Spike protein S1
著者Gao, C, Wei, Y, Xiao, J.
登録日2021-03-01
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E8C
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SARS-CoV-2 S-6P in complex with 9 Fabs
分子名称: 368-2 H, 368-2 L, 604 H, ...
著者Du, S, Xiao, J, Zhang, Z.
登録日2021-03-01
公開日2021-06-09
最終更新日2021-07-14
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E8F
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BU of 7e8f by Molmil
SARS-CoV-2 NTD in complex with N9 Fab
分子名称: 368-2 H, 368-2 L, 604 H, ...
著者Du, S, Xiao, J, Zhang, Z.
登録日2021-03-01
公開日2021-06-09
最終更新日2021-07-14
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E86
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BU of 7e86 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-508 Fab
分子名称: BD-508 Fab Heavy Chain, BD-508 Fab Light Chain, Spike protein S1
著者Gao, C, Xiao, J.
登録日2021-03-01
公開日2021-06-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Humoral immune response to circulating SARS-CoV-2 variants elicited by inactivated and RBD-subunit vaccines.
Cell Res., 31, 2021
7E7D
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BU of 7e7d by Molmil
Cryo-EM structure of the SARS-CoV-2 wild-type S-Trimer from a subunit vaccine candidate
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, 9-OCTADECENOIC ACID, ...
著者Zheng, S, Ma, J.
登録日2021-02-25
公開日2021-03-24
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of S-Trimer, a subunit vaccine candidate for COVID-19.
J.Virol., 95, 2021
3VNI
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BU of 3vni by Molmil
Crystal structures of D-Psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars
分子名称: MANGANESE (II) ION, Xylose isomerase domain protein TIM barrel
著者Chan, H.C, Zhu, Y, Hu, Y, Ko, T.P, Huang, C.H, Ren, F, Chen, C.C, Guo, R.T, Sun, Y.
登録日2012-01-16
公開日2012-08-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars.
Protein Cell, 3, 2012
8I4T
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BU of 8i4t by Molmil
Structure of the asymmetric unit of SFTSV virion
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, Envelopment polyprotein
著者Du, S, Peng, R, Qi, J, Li, C.
登録日2023-01-21
公開日2023-09-13
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (5.2 Å)
主引用文献Cryo-EM structure of severe fever with thrombocytopenia syndrome virus.
Nat Commun, 14, 2023
3VNJ
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BU of 3vnj by Molmil
Crystal structures of D-Psicose 3-epimerase with D-psicose from Clostridium cellulolyticum H10
分子名称: D-psicose, MANGANESE (II) ION, Xylose isomerase domain protein TIM barrel
著者Chan, H.C, Zhu, Y, Hu, Y, Ko, T.P, Huang, C.H, Ren, F, Chen, C.C, Guo, R.T, Sun, Y.
登録日2012-01-16
公開日2012-08-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars.
Protein Cell, 3, 2012
3VNL
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Crystal structures of D-Psicose 3-epimerase with D-tagatose from Clostridium cellulolyticum H10
分子名称: D-tagatose, MANGANESE (II) ION, Xylose isomerase domain protein TIM barrel
著者Chan, H.C, Zhu, Y, Hu, Y, Ko, T.P, Huang, C.H, Ren, F, Chen, C.C, Guo, R.T, Sun, Y.
登録日2012-01-16
公開日2012-08-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars.
Protein Cell, 3, 2012
3VNM
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BU of 3vnm by Molmil
Crystal structures of D-Psicose 3-epimerase with D-sorbose from Clostridium cellulolyticum H10
分子名称: D-sorbose, MANGANESE (II) ION, Xylose isomerase domain protein TIM barrel
著者Chan, H.C, Zhu, Y, Hu, Y, Ko, T.P, Huang, C.H, Ren, F, Chen, C.C, Guo, R.T, Sun, Y.
登録日2012-01-17
公開日2012-08-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars.
Protein Cell, 3, 2012
3VNK
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BU of 3vnk by Molmil
Crystal structures of D-Psicose 3-epimerase with D-fructose from Clostridium cellulolyticum H10
分子名称: D-fructose, MANGANESE (II) ION, Xylose isomerase domain protein TIM barrel
著者Chan, H.C, Zhu, Y, Hu, Y, Ko, T.P, Huang, C.H, Ren, F, Chen, C.C, Guo, R.T, Sun, Y.
登録日2012-01-16
公開日2012-08-01
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Crystal structures of D-psicose 3-epimerase from Clostridium cellulolyticum H10 and its complex with ketohexose sugars.
Protein Cell, 3, 2012
5HMI
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HDM2 in complex with a 3,3-Disubstituted Piperidine
分子名称: E3 ubiquitin-protein ligase Mdm2, SULFATE ION, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]methanone
著者Scapin, G.
登録日2016-01-16
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HMH
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HDM2 in complex with a 3,3-Disubstituted Piperidine
分子名称: 4-[2-(4-{[(2R,3S)-2-propyl-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}-3-{[5-(trifluoromethyl)thiophen-3-yl]oxy}piperidin-3-yl]carbonyl}piperazin-1-yl)phenoxy]butanoic acid, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
著者Scapin, G.
登録日2016-01-16
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HMK
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HDM2 in complex with a 3,3-Disubstituted Piperidine
分子名称: E3 ubiquitin-protein ligase Mdm2, {4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone
著者Scapin, G.
登録日2016-01-16
公開日2016-04-06
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Discovery of Novel 3,3-Disubstituted Piperidines as Orally Bioavailable, Potent, and Efficacious HDM2-p53 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
6JCJ
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BU of 6jcj by Molmil
Structure of crolibulin in complex with tubulin
分子名称: (4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Zhang, Z, Yang, J.
登録日2019-01-29
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mechanism of crolibulin in complex with tubulin provides a rationale for drug design.
Biochem. Biophys. Res. Commun., 511, 2019
7E7B
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BU of 7e7b by Molmil
Cryo-EM structure of the SARS-CoV-2 furin site mutant S-Trimer from a subunit vaccine candidate
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, 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside, ...
著者Zheng, S, Ma, J.
登録日2021-02-25
公開日2021-03-24
最終更新日2022-12-07
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Cryo-EM structure of S-Trimer, a subunit vaccine candidate for COVID-19.
J.Virol., 95, 2021
5AY7
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A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase
分子名称: xylanase
著者Zheng, Y, Li, Y, Liu, W, Guo, R.T.
登録日2015-08-10
公開日2016-02-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase.
J.Struct.Biol., 193, 2016
5D4Y
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A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase
分子名称: beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, xylanase
著者Zheng, Y, Guo, R.T.
登録日2015-08-10
公開日2016-02-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase.
J.Struct.Biol., 193, 2016
7S6Z
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33
分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022
7S70
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI34
分子名称: (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
著者Yang, K.S, Sankaran, B, Liu, W.R.
登録日2021-09-15
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals.
Eur.J.Med.Chem., 240, 2022

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