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6A2I
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BU of 6a2i by Molmil
Architectural roles of Cren7 in folding crenarchaeal chromatin filament
分子名称: Chromatin protein Cren7, DNA (5'-D(*CP*GP*TP*AP*GP*CP*TP*AP*AP*TP*TP*AP*GP*CP*TP*AP*CP*G)-3')
著者Zhang, Z.F, Zhao, M.H, Chen, Y.Y, Wang, L, Dong, Y.H, Gong, Y, Huang, L.
登録日2018-06-11
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Architectural roles of Cren7 in folding crenarchaeal chromatin filament.
Mol. Microbiol., 111, 2019
5XGV
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BU of 5xgv by Molmil
The structure of Diels-Alderase PyrE3 in the biosynthetic pathway of pyrroindomycins
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, PyrE3
著者Pan, L, Gong, Y, Guo, Y.
登録日2017-04-18
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Structural Insights into a Flavin-Dependent [4 + 2] Cyclase that Catalyzes trans-Decalin Formation in Pyrroindomycin Biosynthesis.
Cell Chem Biol, 25, 2018
7XI6
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BU of 7xi6 by Molmil
Crystal structure of C56 from pSSVi
分子名称: C56
著者Zhang, Z.F, Ren, Y, Chen, Y.Y, Zhang, X.W, Dong, Y.H, Gong, Y, Cao, P, Huang, L.
登録日2022-04-12
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of the AbrB-like protein C56 conserved in a novel family of integrated genetic elements in Sulfolobales
To Be Published
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
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
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
8IF8
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BU of 8if8 by Molmil
Arabinosyltransferase AftA
分子名称: CALCIUM ION, Galactan 5-O-arabinofuranosyltransferase
著者Gong, Y.C, Rao, Z.H, Zhang, L.
登録日2023-02-17
公開日2023-05-31
最終更新日2023-06-07
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structure of the priming arabinosyltransferase AftA required for AG biosynthesis of Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.USA, 120, 2023
7T4J
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BU of 7t4j by Molmil
Crystal Structure of EGFR_D770_N771insNPG/V948R in complex with TAK-788
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
著者Skene, R.J, Lane, W, Hu, Y.
登録日2021-12-10
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
7T4I
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BU of 7t4i by Molmil
Crystal Structure of wild type EGFR in complex with TAK-788
分子名称: Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
著者Skene, R.J, Lane, W.
登録日2021-12-10
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
3G36
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BU of 3g36 by Molmil
Crystal structure of the human DPY-30-like C-terminal domain
分子名称: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ...
著者Wang, X, Lou, Z, Bartlam, M, Rao, Z.
登録日2009-02-02
公開日2009-06-30
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Crystal structure of the C-terminal domain of human DPY-30-like protein: A component of the histone methyltransferase complex
J.Mol.Biol., 390, 2009
6THP
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BU of 6thp by Molmil
Neprilysin in complex with the inhibitor (R)-4-(1-carboxy-3-(3'-chlorobiphenyl-4-yl)propan-2-ylamino)-4-oxobutanoic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[[(2~{R})-1-[4-(3-chlorophenyl)phenyl]-4-oxidanyl-4-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid, Neprilysin, ...
著者Schiering, N, Wiesmann, C.
登録日2019-11-21
公開日2020-02-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Structure-Guided Design of Substituted Biphenyl Butanoic Acid Derivatives as Neprilysin Inhibitors.
Acs Med.Chem.Lett., 11, 2020
5F5N
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BU of 5f5n by Molmil
The structure of monooxygenase KstA11 in complex with NAD and its substrate
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ...
著者Pan, L, Gong, Y.
登録日2015-12-04
公開日2016-12-21
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.304 Å)
主引用文献Hydroxyl regioisomerization of anthracycline catalyzed by a four-enzyme cascade
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5F5L
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BU of 5f5l by Molmil
The structure of monooxygenase KstA11 in the biosynthetic pathway of kosinostatin
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Monooxygenase
著者Pan, L, Gong, Y.
登録日2015-12-04
公開日2016-12-21
最終更新日2017-03-01
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Hydroxyl regioisomerization of anthracycline catalyzed by a four-enzyme cascade
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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
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
3SOB
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BU of 3sob by Molmil
The structure of the first YWTD beta propeller domain of LRP6 in complex with a FAB
分子名称: CALCIUM ION, Low-density lipoprotein receptor-related protein 6, antibody heavy chain, ...
著者Wang, W, Bourhis, E, Tam, C, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
登録日2011-06-30
公開日2011-09-21
最終更新日2014-05-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
3SOQ
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BU of 3soq by Molmil
The structure of the first YWTD beta propeller domain of LRP6 in complex with a DKK1 peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Dickkopf-related protein 1, ...
著者Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
登録日2011-06-30
公開日2011-09-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
3SOV
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BU of 3sov by Molmil
The structure of a beta propeller domain in complex with peptide S
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Low-density lipoprotein receptor-related protein 6, ...
著者Wang, W, Bourhis, E, Zhang, Y, Rouge, L, Wu, Y, Franke, Y, Cochran, A.G.
登録日2011-06-30
公開日2011-09-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Wnt antagonists bind through a short peptide to the first beta-propeller domain of LRP5/6.
Structure, 19, 2011
1KSN
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BU of 1ksn by Molmil
Crystal Structure of Human Coagulation Factor XA Complexed with FXV673
分子名称: CALCIUM ION, COAGULATION FACTOR XA, METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE
著者Maignan, S, Guilloteau, J.P.
登録日2002-01-14
公開日2002-06-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Optimization of the beta-aminoester class of factor Xa inhibitors. Part 2: Identification of FXV673 as a potent and selective inhibitor with excellent In vivo anticoagulant activity.
Bioorg.Med.Chem.Lett., 12, 2002
2HK9
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BU of 2hk9 by Molmil
Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution
分子名称: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X.
登録日2006-07-03
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism.
Biochemistry, 46, 2007
2HK7
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BU of 2hk7 by Molmil
Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with mercury at 2.5 angstrom resolution
分子名称: MERCURY (II) ION, Shikimate dehydrogenase
著者Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X.
登録日2006-07-03
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism.
Biochemistry, 46, 2007
2HK8
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BU of 2hk8 by Molmil
Crystal structure of shikimate dehydrogenase from aquifex aeolicus at 2.35 angstrom resolution
分子名称: Shikimate dehydrogenase
著者Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X.
登録日2006-07-03
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism.
Biochemistry, 46, 2007
7C8V
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BU of 7c8v by Molmil
Structure of sybody SR4 in complex with the SARS-CoV-2 S Receptor Binding domain (RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
著者Li, T, Yao, H, Cai, H, Qin, W, Li, D.
登録日2020-06-03
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
7C8W
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BU of 7c8w by Molmil
Structure of sybody MR17 in complex with the SARS-CoV-2 S receptor-binding domain (RBD)
分子名称: GLYCEROL, Spike protein S1, Synthetic nanobody MR17, ...
著者Li, T, Cai, H, Yao, H, Qin, W, Li, D.
登録日2020-06-03
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
7CAN
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BU of 7can by Molmil
Structure of sybody MR17-K99Y in complex with the SARS-CoV-2 S Receptor-binding domain (RBD)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
著者Li, T, Yao, H, Cai, H, Qin, W, Li, D.
登録日2020-06-09
公開日2020-06-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.94 Å)
主引用文献A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021

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