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6CLB
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BU of 6clb by Molmil
3.20 A MicroED structure of proteinase K at 7.8 e- / A^2
分子名称: Proteinase K
著者Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
登録日2018-03-02
公開日2018-05-16
最終更新日2023-10-04
実験手法ELECTRON CRYSTALLOGRAPHY (3.2 Å)
主引用文献Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLL
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BU of 6cll by Molmil
1.02 A MicroED structure of GSNQNNF at 1.2 e- / A^2
分子名称: ACETATE ION, GSNQNNF, ZINC ION
著者Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
登録日2018-03-02
公開日2018-05-16
最終更新日2024-03-13
実験手法ELECTRON CRYSTALLOGRAPHY (1.02 Å)
主引用文献Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLT
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BU of 6clt by Molmil
1.45 A MicroED structure of GSNQNNF at 3.8 e- / A^2
分子名称: ACETATE ION, GSNQNNF, ZINC ION
著者Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
登録日2018-03-02
公開日2018-05-16
最終更新日2024-03-13
実験手法ELECTRON CRYSTALLOGRAPHY (1.45 Å)
主引用文献Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLD
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BU of 6cld by Molmil
1.01 A MicroED structure of GSNQNNF at 0.81 e- / A^2
分子名称: ACETATE ION, GSNQNNF, ZINC ION
著者Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
登録日2018-03-02
公開日2018-05-16
最終更新日2024-03-13
実験手法ELECTRON CRYSTALLOGRAPHY (1.01 Å)
主引用文献Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLK
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BU of 6clk by Molmil
1.01 A MicroED structure of GSNQNNF at 0.82 e- / A^2
分子名称: ACETATE ION, GSNQNNF, ZINC ION
著者Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
登録日2018-03-02
公開日2018-05-16
最終更新日2024-03-13
実験手法ELECTRON CRYSTALLOGRAPHY (1.01 Å)
主引用文献Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLS
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BU of 6cls by Molmil
1.46 A MicroED structure of GSNQNNF at 3.4 e- / A^2
分子名称: ACETATE ION, GSNQNNF, ZINC ION
著者Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
登録日2018-03-02
公開日2018-05-16
最終更新日2024-03-13
実験手法ELECTRON CRYSTALLOGRAPHY (1.46 Å)
主引用文献Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLF
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BU of 6clf by Molmil
1.15 A MicroED structure of GSNQNNF at 1.9 e- / A^2
分子名称: ACETATE ION, GSNQNNF, ZINC ION
著者Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
登録日2018-03-02
公開日2018-05-16
最終更新日2024-03-13
実験手法ELECTRON CRYSTALLOGRAPHY (1.15 Å)
主引用文献Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLO
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BU of 6clo by Molmil
1.15 A MicroED structure of GSNQNNF at 2.1 e- / A^2
分子名称: ACETATE ION, GSNQNNF, ZINC ION
著者Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
登録日2018-03-02
公開日2018-05-16
最終更新日2024-03-13
実験手法ELECTRON CRYSTALLOGRAPHY (1.15 Å)
主引用文献Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CL7
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BU of 6cl7 by Molmil
1.71 A MicroED structure of proteinase K at 0.86 e- / A^2
分子名称: Proteinase K
著者Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
登録日2018-03-02
公開日2018-05-16
最終更新日2023-10-04
実験手法ELECTRON CRYSTALLOGRAPHY (1.71 Å)
主引用文献Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLE
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BU of 6cle by Molmil
1.01 A MicroED structure of GSNQNNF at 1.3 e- / A^2
分子名称: ACETATE ION, GSNQNNF, ZINC ION
著者Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
登録日2018-03-02
公開日2018-05-16
最終更新日2024-03-13
実験手法ELECTRON CRYSTALLOGRAPHY (1.01 Å)
主引用文献Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
6CLM
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BU of 6clm by Molmil
1.01 A MicroED structure of GSNQNNF at 1.5 e- / A^2
分子名称: ACETATE ION, GSNQNNF, ZINC ION
著者Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T.
登録日2018-03-02
公開日2018-05-16
最終更新日2024-03-13
実験手法ELECTRON CRYSTALLOGRAPHY (1.01 Å)
主引用文献Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
3Q98
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BU of 3q98 by Molmil
Structure of ygeW encoded protein from E. coli
分子名称: transcarbamylase
著者Li, Y, Jing, Z, Yu, X, Allewell, N.M, Tuchman, M, Shi, D.
登録日2011-01-07
公開日2011-05-04
最終更新日2018-06-06
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献The ygeW encoded protein from Escherichia coli is a knotted ancestral catabolic transcarbamylase.
Proteins, 79, 2011
4KZT
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BU of 4kzt by Molmil
Structure mmNAGS bound with L-arginine
分子名称: ARGININE, DI(HYDROXYETHYL)ETHER, N-acetylglutamate kinase / N-acetylglutamate synthase
著者Zhao, G, Jin, Z, Allewell, N.M, Tuchman, M, Shi, D.
登録日2013-05-30
公開日2014-04-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of N-acetyl-L-glutamate synthase/kinase from Maricaulis maris with the allosteric inhibitor L-arginine bound.
Biochem.Biophys.Res.Commun., 437, 2013
3PEQ
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BU of 3peq by Molmil
PPARd complexed with a phenoxyacetic acid partial agonist
分子名称: IODIDE ION, Peroxisome proliferator-activated receptor delta, [(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid, ...
著者Lambert, M.H, Evans, K.A, Shearer, B.G, Wisnoski, D.D, Shi, D, Jin, J, Rivero, R.A, Sparks, S.M, Winegar, D.A, Billin, A.N, Britt, C, Way, J.M, Leesnitzer, L.M, Merrihew, R.V.
登録日2010-10-27
公開日2011-10-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Phenoxyacetic acid PPARd partial agonists for the treatment of type 2 diabetes: synthesis, optimization, and in vivo efficacy
Bioorg.Med.Chem.Lett., 21, 2011
7K3Z
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BU of 7k3z by Molmil
P. falciparum Cpn60 D474A mutant bound to ATP
分子名称: 60 kDa chaperonin, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
著者Tolia, N.H, Shi, D, Nguyen, B.
登録日2020-09-14
公開日2021-04-21
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.69 Å)
主引用文献Crystal structure of P. falciparum Cpn60 bound to ATP reveals an open dynamic conformation before substrate binding.
Sci Rep, 11, 2021
5KKY
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BU of 5kky by Molmil
Structure of Streptococcus pneumonia NanA bound with inhibitor 9N3Neu5Ac2en
分子名称: 5-acetamido-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-D-glycero-D-galacto-non-2-enonic acid, CHLORIDE ION, Sialidase A
著者Shi, D, Zhao, G.
登録日2016-06-23
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.393 Å)
主引用文献Synthesis of selective inhibitors against S. pneumoniae and V. cholerae sialidases
To Be Published
1FB5
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BU of 1fb5 by Molmil
LOW RESOLUTION STRUCTURE OF OVINE ORNITHINE TRANSCARBMOYLASE IN THE UNLIGANDED STATE
分子名称: NORVALINE, ORNITHINE TRANSCARBAMOYLASE
著者Zanotti, G, Battistutta, R, Panzalorto, M, Francescato, P, Bruno, G, De Gregorio, A.
登録日2000-07-14
公開日2003-08-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Functional and structural characterization of ovine ornithine transcarbamoylase.
Org.Biomol.Chem., 1, 2003
6LJA
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BU of 6lja by Molmil
Crystal Structure of exoHep from Bacteroides intestinalis DSM 17393 complexed with disaccharide product
分子名称: 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparinase II/III-like protein
著者Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z.
登録日2019-12-13
公開日2020-12-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献Discovery of exolytic heparinases and their catalytic mechanism and potential application.
Nat Commun, 12, 2021
6LJL
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BU of 6ljl by Molmil
Crystal Structure of exoHep-Y390A/H555A complexed with a tetrasaccharide substrate
分子名称: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, CALCIUM ION, Heparinase II/III-like protein
著者Zhang, Q.D, Cao, H.Y, Wei, L, Li, F.C, Zhang, Y.Z.
登録日2019-12-17
公開日2020-12-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery of exolytic heparinases and their catalytic mechanism and potential application.
Nat Commun, 12, 2021
7OY5
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BU of 7oy5 by Molmil
Crystal structure of GSK3Beta in complex with ARN25068
分子名称: CHLORIDE ION, Glycogen synthase kinase-3 beta, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
著者Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Giabbai, B, Storici, P, Ortega, J, Girotto, S, Cavalli, A.
登録日2021-06-23
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
7OY6
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BU of 7oy6 by Molmil
Crystal structure of human DYRK1A in complex with ARN25068
分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine
著者Tripathi, S.K, Balboni, B, Demuro, S, DiMartino, R, Ortega, J, Girotto, S, Cavalli, A.
登録日2021-06-23
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献ARN25068, a versatile starting point towards triple GSK-3 beta /FYN/DYRK1A inhibitors to tackle tau-related neurological disorders.
Eur.J.Med.Chem., 229, 2022
5K2H
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BU of 5k2h by Molmil
Structure of GNNQQNY from yeast prion Sup35 in space group P212121 determined by MicroED
分子名称: Eukaryotic peptide chain release factor GTP-binding subunit
著者Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
登録日2016-05-18
公開日2016-09-14
最終更新日2024-03-06
実験手法ELECTRON CRYSTALLOGRAPHY (1.05 Å)
主引用文献Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2E
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BU of 5k2e by Molmil
Structure of NNQQNY from yeast prion Sup35 with zinc acetate determined by MicroED
分子名称: ACETIC ACID, Eukaryotic peptide chain release factor GTP-binding subunit, ZINC ION
著者Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
登録日2016-05-18
公開日2016-09-14
最終更新日2024-03-06
実験手法ELECTRON CRYSTALLOGRAPHY (1 Å)
主引用文献Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2F
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BU of 5k2f by Molmil
Structure of NNQQNY from yeast prion Sup35 with cadmium acetate determined by MicroED
分子名称: ACETATE ION, CADMIUM ION, Eukaryotic peptide chain release factor GTP-binding subunit
著者Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
登録日2016-05-18
公開日2016-09-14
最終更新日2024-03-06
実験手法ELECTRON CRYSTALLOGRAPHY (1 Å)
主引用文献Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016
5K2G
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BU of 5k2g by Molmil
Structure of GNNQQNY from yeast prion Sup35 in space group P21 determined by MicroED
分子名称: Eukaryotic peptide chain release factor GTP-binding subunit
著者Rodriguez, J.A, Sawaya, M.R, Cascio, D, Eisenberg, D.S.
登録日2016-05-18
公開日2016-09-14
最終更新日2024-03-06
実験手法ELECTRON CRYSTALLOGRAPHY (1.1 Å)
主引用文献Ab initio structure determination from prion nanocrystals at atomic resolution by MicroED.
Proc.Natl.Acad.Sci.USA, 113, 2016

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