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3Q5H
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BU of 3q5h by Molmil
Clinically Useful Alkyl Amine Renin Inhibitors
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Renin, ...
著者Wu, Z, McKeever, B.M.
登録日2010-12-28
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility.
ACS Med Chem Lett, 2, 2011
2LQZ
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BU of 2lqz by Molmil
Structure of the RNA claw of the DNA packaging motor of bacteriophage 29
分子名称: RNA (27-MER)
著者Harjes, E.J, Matsuo, H.J, Kitamura, A.J.
登録日2012-03-19
公開日2012-08-01
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the RNA claw of the DNA packaging motor of bacteriophage 29.
Nucleic Acids Res., 40, 2012
5HXW
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BU of 5hxw by Molmil
L-amino acid deaminase from Proteus vulgaris
分子名称: CETYL-TRIMETHYL-AMMONIUM, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid deaminase
著者Zhou, H, Ju, Y, Niu, L, Teng, M.
登録日2016-01-31
公開日2016-08-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris
J.Struct.Biol., 195, 2016
5I39
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High resolution structure of L-amino acid deaminase from Proteus vulgaris with the deletion of the specific insertion sequence
分子名称: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid deaminase
著者Zhou, H, Ju, Y, Niu, L, Teng, M.
登録日2016-02-10
公開日2016-08-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of a membrane-bound l-amino acid deaminase from Proteus vulgaris
J.Struct.Biol., 195, 2016
4L58
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BU of 4l58 by Molmil
Crystal structure of the MLL5 PHD finger in complex with H3K4me3
分子名称: Histone H3 peptide, Histone-lysine N-methyltransferase MLL5, ZINC ION
著者Tong, Q, Ali, M, Kutateladze, T.G.
登録日2013-06-10
公開日2013-06-26
最終更新日2013-07-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Molecular basis for chromatin binding and regulation of MLL5.
Proc.Natl.Acad.Sci.USA, 110, 2013
7JZV
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BU of 7jzv by Molmil
Cryo-EM structure of the BRCA1-UbcH5c/BARD1 E3-E2 module bound to a nucleosome
分子名称: BRCA1,Ubiquitin-conjugating enzyme E2 D3, BRCA1-associated RING domain protein 1, Histone H2A type 2-A, ...
著者Witus, S.R, Burrell, A.L, Hansen, J.M, Farrell, D.P, Dimaio, F, Kollman, J.M, Klevit, R.E.
登録日2020-09-02
公開日2021-02-17
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献BRCA1/BARD1 site-specific ubiquitylation of nucleosomal H2A is directed by BARD1.
Nat.Struct.Mol.Biol., 28, 2021
7CKW
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BU of 7ckw by Molmil
Cryo-EM structure of Fenoldopam bound dopamine receptor DRD1-Gs signaling complex
分子名称: (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Yan, W, Shao, W.
登録日2020-07-20
公開日2021-03-03
実験手法ELECTRON MICROSCOPY (3.22 Å)
主引用文献Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Cell, 184, 2021
7VNG
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BU of 7vng by Molmil
Crystal structure of human coronavirus 229E spike protein receptor-binding domain in complex with S11 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, S11 Fab heavy chain, S11 Fab light chain, ...
著者Xiang, J.C, Zhao, W.W, Yang, B.
登録日2021-10-11
公開日2022-10-26
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Antigenic mapping reveals sites of vulnerability on alpha-HCoV spike protein.
Commun Biol, 5, 2022
5GRS
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BU of 5grs by Molmil
Complex structure of the fission yeast SREBP-SCAP binding domains
分子名称: Sterol regulatory element-binding protein 1, Sterol regulatory element-binding protein cleavage-activating protein
著者Gong, X, Qian, H.W, Wu, J.P, Yan, N.
登録日2016-08-12
公開日2016-12-14
最終更新日2024-10-30
実験手法ELECTRON MICROSCOPY (5.4 Å)
主引用文献Complex structure of the fission yeast SREBP-SCAP binding domains reveals an oligomeric organization
Cell Res., 26, 2016
5GPD
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BU of 5gpd by Molmil
Crystal structure of the binding domain of SREBP from fission yeast
分子名称: Sterol regulatory element-binding protein 1
著者Gong, X, Qian, H.W, Wu, J.P, Yan, N.
登録日2016-08-01
公開日2016-11-23
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.501 Å)
主引用文献Complex structure of the fission yeast SREBP-SCAP binding domains reveals an oligomeric organization
Cell Res., 26, 2016
7DAT
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BU of 7dat by Molmil
The crystal structure of COVID-19 main protease treated by AF
分子名称: COVID-19 MAIN PROTEASE, GOLD ION
著者He, Z.S, He, B, Cao, P, Jiang, H.D, Gong, Y, Gao, X.Y.
登録日2020-10-18
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献A comparison of Remdesivir versus gold cluster in COVID-19 animal model: A better therapeutic outcome of gold cluster.
Nano Today, 44, 2022
7DAV
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BU of 7dav by Molmil
The native crystal structure of COVID-19 main protease
分子名称: COVID-19 MAIN PROTEASE
著者He, Z.S, He, B, Cao, P, Jiang, H.D, Gong, Y, Gao, X.Y.
登録日2020-10-18
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A comparison of Remdesivir versus gold cluster in COVID-19 animal model: A better therapeutic outcome of gold cluster.
Nano Today, 44, 2022
7DAU
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BU of 7dau by Molmil
The crystal structure of COVID-19 main protease treated by GA
分子名称: COVID-19 MAIN PROTEASE, GOLD ION
著者He, Z.S, He, B, Cao, P, Jiang, H.D, Gong, Y, Gao, X.Y.
登録日2020-10-18
公開日2021-11-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献A comparison of Remdesivir versus gold cluster in COVID-19 animal model: A better therapeutic outcome of gold cluster.
Nano Today, 44, 2022
6JUI
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BU of 6jui by Molmil
The atypical Myb-like protein Cdc5 contains two distinct nucleic acid-binding surfaces
分子名称: Pre-mRNA-splicing factor CEF1
著者Wang, C, Li, G, Li, M, Yang, J, Liu, J.
登録日2019-04-14
公開日2020-02-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Two distinct nucleic acid binding surfaces of Cdc5 regulate development.
Biochem.J., 476, 2019
6KF5
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BU of 6kf5 by Molmil
Microbial Hormone-sensitive lipase E53 mutant I256L
分子名称: (4-nitrophenyl) hexanoate, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Yang, X, Li, Z.Y, Li, J, Xu, X.W.
登録日2019-07-06
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Microbial Hormone-sensitive lipase E53 mutant I256L
To Be Published
6KI0
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BU of 6ki0 by Molmil
Crystal Structure of Human ASC-CARD
分子名称: Maltose/maltodextrin-binding periplasmic protein,Apoptosis-associated speck-like protein containing a CARD, SULFATE ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Xu, Z.H, Jin, T.C.
登録日2019-07-16
公開日2020-07-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Homotypic CARD-CARD interaction is critical for the activation of NLRP1 inflammasome.
Cell Death Dis, 12, 2021
6KF1
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BU of 6kf1 by Molmil
Microbial Hormone-sensitive lipase- E53 mutant S162A
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HEXANOIC ACID, ...
著者Xiaochen, Y, Zhengyang, L, Xuewei, X, Jixi, L.
登録日2019-07-05
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献Functional and Structural Insights into Environmental Adaptation of a Novel Hormone-sensitive Lipase, E53, Obtained from Erythrobacter longus
To Be Published
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2024-10-23
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
6KEU
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BU of 6keu by Molmil
Wildtype E53, a microbial HSL esterase
分子名称: (4-nitrophenyl) hexanoate, 1,2-ETHANEDIOL, GLYCEROL, ...
著者Yang, X.C, Li, Z.Y, Xu, X.W, Li, J.X.
登録日2019-07-05
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Wildtype E53, a microbial HSL esterase
To Be Published
3W28
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BU of 3w28 by Molmil
The high-resolution crystal structure of TsXylA, intracellular xylanase from /Thermoanaerobacterium saccharolyticum JW/SL-YS485/: the complex of the E251A mutant with xylotriose
分子名称: Glycoside hydrolase family 10, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose
著者Han, X, Gao, J, Shang, N, Huang, C.-H, Ko, T.-P, Zhu, Z, Wiegel, J, Shao, W, Guo, R.-T.
登録日2012-11-27
公開日2013-04-03
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Structural and functional analyses of catalytic domain of GH10 xylanase from Thermoanaerobacterium saccharolyticum JW/SL-YS485
Proteins, 81, 2013
8IFP
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BU of 8ifp by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 1
分子名称: (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2023-02-19
公開日2023-10-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
8IFT
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BU of 8ift by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 10
分子名称: (8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5
著者Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2023-02-19
公開日2023-10-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
8IFQ
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BU of 8ifq by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 2
分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2023-02-19
公開日2023-10-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
8IFS
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BU of 8ifs by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 7
分子名称: (8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide, 3C-like proteinase nsp5
著者Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2023-02-19
公開日2023-10-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023
8IFR
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SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3
分子名称: (1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Su, H.X, Zhao, W.F, Xie, H, Nie, T.Q, Li, M.J, Xu, Y.C.
登録日2023-02-19
公開日2023-10-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Structure-based development and preclinical evaluation of the SARS-CoV-2 3C-like protease inhibitor simnotrelvir.
Nat Commun, 14, 2023

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