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5H9Y
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Crystal structure of GH family 64 laminaripentaose-producing beta-1,3-glucanase from Paenibacillus barengoltzii complexed with laminarihexaose.
分子名称: L(+)-TARTARIC ACID, beta-1,3-glucanase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ...
著者Zhen, Q, Yan, Q, Yang, S, Jiang, Z, You, X.
登録日2015-12-29
公開日2017-02-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.969 Å)
主引用文献The recognition mechanism of triple-helical beta-1,3-glucan by a beta-1,3-glucanase
Chem. Commun. (Camb.), 53, 2017
7FBT
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BU of 7fbt by Molmil
Crystal structure of chitinase (RmChi1) from Rhizomucor miehei (sp p32 2 1, MR)
分子名称: Chitinase, MAGNESIUM ION
著者Jiang, Z.Q, Hu, S.Q, Zhu, Q, Liu, Y.C, Ma, J.W, Yan, Q.J, Gao, Y.G, Yang, S.Q.
登録日2021-07-12
公開日2021-08-11
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a chitinase (RmChiA) from the thermophilic fungus Rhizomucor miehei with a real active site tunnel.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
8GXG
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BU of 8gxg by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with 14a
分子名称: 3C-like proteinase nsp5, N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
著者Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z.
登録日2022-09-20
公開日2023-09-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1.
Signal Transduct Target Ther, 9, 2024
8GXH
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BU of 8gxh by Molmil
The crystal structure of SARS-CoV-2 main protease in complex with 14b
分子名称: 3C-like proteinase nsp5, N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide
著者Zhao, Y, Zhao, J, Shao, M, Yang, H, Rao, Z.
登録日2022-09-20
公開日2023-09-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1.
Signal Transduct Target Ther, 9, 2024
4O1V
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BU of 4o1v by Molmil
SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer
分子名称: Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, Speckle-type POZ protein
著者Calabrese, M.F, Watson, E.R, Schulman, B.A.
登録日2013-12-16
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献SPOP Promotes Tumorigenesis by Acting as a Key Regulatory Hub in Kidney Cancer.
Cancer Cell, 25, 2014
4G3Y
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BU of 4g3y by Molmil
Crystal structure of TNF-alpha in complex with Infliximab Fab fragment
分子名称: Tumor necrosis factor, infliximab Fab H, infliximab Fab L
著者Liang, S.Y, Dai, J.X, Guo, Y.J, Lou, Z.Y.
登録日2012-07-15
公開日2013-03-27
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for treating tumor necrosis factor alpha (TNFalpha)-associated diseases with the therapeutic antibody infliximab
J.Biol.Chem., 288, 2013
5Z7G
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BU of 5z7g by Molmil
Crystal structure of TAX1BP1 SKICH region in complex with NAP1
分子名称: 5-azacytidine-induced protein 2, GLYCEROL, Tax1-binding protein 1
著者Pan, L.F, Fu, T, Liu, J.P, Xie, X.Q, Wang, Y.L, Hu, S.C.
登録日2018-01-28
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Mechanistic insights into the interactions of NAP1 with the SKICH domains of NDP52 and TAX1BP1
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5T5V
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BU of 5t5v by Molmil
LIPOXYGENASE-1 (SOYBEAN) AT 293K
分子名称: FE (III) ION, Seed linoleate 13S-lipoxygenase-1
著者Poss, E.M, Fraser, J.S.
登録日2016-08-31
公開日2017-09-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Hydrogen-Deuterium Exchange of Lipoxygenase Uncovers a Relationship between Distal, Solvent Exposed Protein Motions and the Thermal Activation Barrier for Catalytic Proton-Coupled Electron Tunneling.
ACS Cent Sci, 3, 2017
6JC3
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BU of 6jc3 by Molmil
The Cryo-EM structure of nucleoprotein-RNA complex of Newcastle disease virus
分子名称: Nucleocapsid, polyU
著者Song, X, Shan, H, Zhu, Y, Ding, W, Ouyang, S, Shen, Q.T, Liu, Z.J.
登録日2019-01-28
公開日2019-08-07
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Self-capping of nucleoprotein filaments protects the Newcastle disease virus genome.
Elife, 8, 2019
5Y3N
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BU of 5y3n by Molmil
Structure of TRAP1 complexed with DN401
分子名称: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
著者Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C.
登録日2017-07-29
公開日2017-08-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
J. Med. Chem., 60, 2017
5Y3O
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BU of 5y3o by Molmil
Structure of TRAP1 complexed with DN320
分子名称: 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine, Heat shock protein 75 kDa, mitochondrial
著者Jeong, H, Park, H.K, Kang, S, Kang, B.H, Lee, C.
登録日2017-07-29
公開日2017-08-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Paralog Specificity Determines Subcellular Distribution, Action Mechanism, and Anticancer Activity of TRAP1 Inhibitors.
J. Med. Chem., 60, 2017
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2024-10-23
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
6MX6
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BU of 6mx6 by Molmil
The Prp8 intein of Cryptococcus neoformans
分子名称: Pre-mRNA-processing-splicing factor 8
著者Li, Z, Li, H.
登録日2018-10-30
公開日2019-10-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.749 Å)
主引用文献Spliceosomal Prp8 intein at the crossroads of protein and RNA splicing.
Plos Biol., 17, 2019
3H3B
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BU of 3h3b by Molmil
Crystal structure of the single-chain Fv (scFv) fragment of an anti-ErbB2 antibody chA21 in complex with residues 1-192 of ErbB2 extracellular domain
分子名称: Receptor tyrosine-protein kinase erbB-2, anti-ErbB2 antibody chA21
著者Zhou, H, Liu, Y, Niu, L, Zhu, J, Teng, M.
登録日2009-04-16
公開日2010-04-28
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Insights into the Down-regulation of Overexpressed p185her2/neu Protein of Transformed Cells by the Antibody chA21.
J.Biol.Chem., 286, 2011
7W33
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BU of 7w33 by Molmil
The crystal structure of human CtsL in complex with 14a
分子名称: N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2R,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L
著者Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z.
登録日2021-11-25
公開日2023-05-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1.
Signal Transduct Target Ther, 9, 2024
7W34
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BU of 7w34 by Molmil
The crystal structure of human CtsL in complex with 14b
分子名称: N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide, Procathepsin L
著者Zhao, Y, Shao, M, Zhao, J, Yang, H, Rao, Z.
登録日2021-11-25
公開日2023-05-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1.
Signal Transduct Target Ther, 9, 2024
6LKO
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BU of 6lko by Molmil
Turning an asparaginyl endopeptidase into a peptide ligase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Asparaginyl endopeptidase, DI(HYDROXYETHYL)ETHER
著者El Sahili, A, Lescar, J.
登録日2019-12-19
公開日2020-10-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Turning an Asparaginyl Endopeptidase into a Peptide Ligase
Acs Catalysis, 10, 2020
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2024-10-23
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
5GP4
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BU of 5gp4 by Molmil
Lactobacillus brevis CGMCC 1306 Glutamate decarboxylase
分子名称: Glutamate decarboxylase, PYRIDOXAL-5'-PHOSPHATE
著者Mei, L, Huang, J.
登録日2016-07-31
公開日2017-08-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Lactobacillus brevis CGMCC 1306 glutamate decarboxylase: Crystal structure and functional analysis.
Biochem. Biophys. Res. Commun., 503, 2018
3PWZ
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BU of 3pwz by Molmil
Crystal structure of an Ael1 enzyme from Pseudomonas putida
分子名称: Shikimate dehydrogenase 3
著者Christendat, D, Peek, J.
登録日2010-12-09
公開日2011-09-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.705 Å)
主引用文献Structural and mechanistic analysis of a novel class of shikimate dehydrogenases: evidence for a conserved catalytic mechanism in the shikimate dehydrogenase family.
Biochemistry, 50, 2011
7F32
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Ny-Hydroxyasparagine: A Multifunctional Unnatural Amino Acid That is a Good P1 Substrate of Asparaginyl Peptide Ligases
分子名称: SYCNCLCRRGVCRCICTI
著者Xia, Y, Liu, C.F.
登録日2021-06-15
公開日2022-09-07
実験手法SOLUTION NMR
主引用文献N gamma-Hydroxyasparagine: A Multifunctional Unnatural Amino Acid That is a Good P1 Substrate of Asparaginyl Peptide Ligases.
Angew.Chem.Int.Ed.Engl., 60, 2021
5CX3
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BU of 5cx3 by Molmil
Crystal structure of FYCO1 LIR in complex with LC3A
分子名称: FYVE and coiled-coil domain-containing protein 1, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A
著者Cheng, X, Pan, L.
登録日2015-07-28
公開日2016-08-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis of FYCO1 and MAP1LC3A interaction reveals a novel binding mode for Atg8-family proteins.
Autophagy, 12, 2016
5EP6
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BU of 5ep6 by Molmil
The crystal structure of NAP1 in complex with TBK1
分子名称: 5-azacytidine-induced protein 2, GLYCEROL, Serine/threonine-protein kinase TBK1
著者Li, F, Xie, X, Liu, J, Pan, L.
登録日2015-11-11
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
5EOA
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BU of 5eoa by Molmil
Crystal structure of OPTN E50K mutant and TBK1 complex
分子名称: Optineurin, Serine/threonine-protein kinase TBK1
著者Li, F, Xie, X, Liu, J, Pan, L.
登録日2015-11-10
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.503 Å)
主引用文献Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016
5EOF
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BU of 5eof by Molmil
Crystal structure of OPTN NTD and TBK1 CTD complex
分子名称: Optineurin, Serine/threonine-protein kinase TBK1
著者Li, F, Xie, X, Liu, J, Pan, L.
登録日2015-11-10
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural insights into the interaction and disease mechanism of neurodegenerative disease-associated optineurin and TBK1 proteins.
Nat Commun, 7, 2016

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