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5MUU
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BU of 5muu by Molmil
dsRNA bacteriophage phi6 nucleocapsid
分子名称: Major inner protein P1, Major outer capsid protein, Packaging enzyme P4
著者Sun, Z, El Omari, K, Sun, X, Ilca, S.L, Kotecha, A, Stuart, D.I, Poranen, M.M, Huiskonen, J.T.
登録日2017-01-14
公開日2017-03-22
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Double-stranded RNA virus outer shell assembly by bona fide domain-swapping.
Nat Commun, 8, 2017
5MUV
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BU of 5muv by Molmil
Atomic structure fitted into a localized reconstruction of bacteriophage phi6 packaging hexamer P4
分子名称: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Packaging enzyme P4
著者Sun, Z, El Omari, K, Sun, X, Ilca, S, Kotecha, A, Stuart, D.I, Poranen, M.M, Huiskonen, J.T.
登録日2017-01-14
公開日2017-03-22
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (9.1 Å)
主引用文献Double-stranded RNA virus outer shell assembly by bona fide domain-swapping.
Nat Commun, 8, 2017
8ZJV
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BU of 8zjv by Molmil
Crystal Structure of the ERK2 complexed with 5-Iodotubercidin
分子名称: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Yang, Y, Fu, L, Chen, R, Cheng, H, Sun, X.
登録日2024-05-15
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the ERK2 complexed with 5-Iodotubercidin
To Be Published
2RHD
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BU of 2rhd by Molmil
Crystal structure of Cryptosporidium parvum small GTPase RAB1A
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Small GTP binding protein rab1a
著者Dong, A, Xu, X, Lew, J, Lin, Y.H, Khuu, C, Sun, X, Qiu, W, Kozieradzki, I, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Sukumar, D, Structural Genomics Consortium (SGC)
登録日2007-10-09
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Crystal structure of Cryptosporidium parvum small GTPase RAB1A.
To be Published
2R77
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BU of 2r77 by Molmil
Crystal structure of phosphatidylethanolamine-binding protein, pfl0955c, from Plasmodium falciparum
分子名称: Phosphatidylethanolamine-binding protein, putative
著者Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Crombette, L, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC)
登録日2007-09-07
公開日2007-09-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structure of phosphatidylethanolamine-binding protein, pfl0955c, from Plasmodium falciparum.
To be Published
2RCY
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BU of 2rcy by Molmil
Crystal structure of Plasmodium falciparum pyrroline carboxylate reductase (MAL13P1.284) with NADP bound
分子名称: GLYCEROL, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Wernimont, A.K, Lew, J, Lin, Y.H, Ren, H, Sun, X, Khuu, C, Hassanali, A, Wasney, G, Zhao, Y, Kozieradzki, I, Schapira, M, Bochkarev, A, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
登録日2007-09-20
公開日2007-10-23
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Plasmodium falciparum pyrroline carboxylate reductase (MAL13P1.284) with NADP bound.
To be Published
8R19
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BU of 8r19 by Molmil
SARS-CoV-2 Mpro (Omicron, P132H) free enzyme
分子名称: 3C-like proteinase nsp5
著者Ibrahim, M, Sun, X, Hilgenfeld, R.
登録日2023-11-01
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献SARS-CoV-2 Omicron (P132H) complex with alpha-ketoamide 13b-K at pH 6.5
To Be Published
8R0V
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BU of 8r0v by Molmil
SARS-CoV-2 Mpro (Omicron, P132H) in complex with alpha-ketoamide 13b-K at pH 6.5
分子名称: 3C-like proteinase nsp5, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
著者Ibrahim, M, Sun, X, Hilgenfeld, R.
登録日2023-11-01
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献SARS-CoV-2 Omicron (P132H) complex with alpha-ketoamide 13b-K at pH 6.5
To Be Published
6Y2G
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BU of 6y2g by Molmil
Crystal structure (orthorhombic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)
分子名称: 3C-like proteinase nsp5, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
著者Zhang, L, Lin, D, Sun, X, Hilgenfeld, R.
登録日2020-02-15
公開日2020-03-04
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
6Y2F
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BU of 6y2f by Molmil
Crystal structure (monoclinic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)
分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate
著者Zhang, L, Lin, D, Sun, X, Hilgenfeld, R.
登録日2020-02-15
公開日2020-03-04
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
6Y2E
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BU of 6y2e by Molmil
Crystal structure of the free enzyme of the SARS-CoV-2 (2019-nCoV) main protease
分子名称: 3C-like proteinase
著者Zhang, L, Sun, X, Hilgenfeld, R.
登録日2020-02-15
公開日2020-03-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
5IUS
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BU of 5ius by Molmil
Crystal structure of human PD-L1 in complex with high affinity PD-1 mutant
分子名称: CHLORIDE ION, Programmed cell death 1 ligand 1, Programmed cell death protein 1
著者Pascolutti, R, Sun, X, Kao, J, Maute, R, Ring, A.M, Bowman, G.R, Kruse, A.C.
登録日2016-03-18
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.889 Å)
主引用文献Structure and Dynamics of PD-L1 and an Ultra-High-Affinity PD-1 Receptor Mutant.
Structure, 24, 2016
6LK0
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BU of 6lk0 by Molmil
Crystal structure of human wild type TRIP13
分子名称: Pachytene checkpoint protein 2 homolog
著者Wang, Y, Huang, J, Li, B, Xue, H, Tricot, G, Hu, L, Xu, Z, Sun, X, Chang, S, Gao, L, Tao, Y, Xu, H, Xie, Y, Xiao, W, Yu, D, Kong, Y, Chen, G, Sun, X, Lian, F, Zhang, N, Wu, X, Mao, Z, Zhan, F, Zhu, W, Shi, J.
登録日2019-12-17
公開日2020-01-22
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A Small-Molecule Inhibitor Targeting TRIP13 Suppresses Multiple Myeloma Progression.
Cancer Res., 80, 2020
3BE4
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BU of 3be4 by Molmil
Crystal structure of Cryptosporidium parvum adenylate kinase cgd5_3360
分子名称: Adenylate kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, GLYCEROL, ...
著者Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
登録日2007-11-16
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of Cryptosporidium parvum adenylate kinase cgd5_3360.
To be Published
3B6N
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BU of 3b6n by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase PV003920 from Plasmodium vivax
分子名称: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, ZINC ION
著者Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC)
登録日2007-10-29
公開日2007-11-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase PV003920 from Plasmodium vivax.
To be Published
3BKP
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BU of 3bkp by Molmil
Crystal structure of the Toxoplasma gondii cyclophilin, 49.m03261
分子名称: Cyclophilin, GLYCEROL
著者Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Artz, J.D, Amani, M, Structural Genomics Consortium (SGC)
登録日2007-12-07
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the Toxoplasma gondii cyclophilin, 49.m03261.
To be Published
3BO7
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BU of 3bo7 by Molmil
Crystal structure of Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, 541.m00136
分子名称: 1,2-ETHANEDIOL, CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE CYCLOPHILIN-TYPE, ...
著者Wernimont, A.K, Lew, J, Kozieradzki, I, Lin, Y.H, Sun, X, Khuu, C, Zhao, Y, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bochkarev, A, Hui, R, Artz, J.D, Xiao, T, Structural Genomics Consortium (SGC)
登録日2007-12-17
公開日2008-02-19
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal Structure of Toxoplasma Gondii Peptidyl-Prolyl Cis-Trans Isomerase, 541.M00136.
To be Published
4HBL
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BU of 4hbl by Molmil
Crystal structure of AbfR of Staphylococcus epidermidis
分子名称: Transcriptional regulator, MarR family
著者Liu, X, Sun, X, Gan, J, Lan, L, Yang, C.-G.
登録日2012-09-28
公開日2013-01-02
最終更新日2013-02-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Oxidation-sensing Regulator AbfR Regulates Oxidative Stress Responses, Bacterial Aggregation, and Biofilm Formation in Staphylococcus epidermidis.
J.Biol.Chem., 288, 2013
7NEV
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BU of 7nev by Molmil
Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin
分子名称: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
登録日2021-02-05
公開日2021-03-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
5FJ7
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BU of 5fj7 by Molmil
Structure of the P2 polymerase inside in vitro assembled bacteriophage phi6 polymerase complex, with P1 included
分子名称: MAJOR INNER PROTEIN P1, MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Ilca, S, Kotecha, A, Sun, X, Poranen, M.P, Stuart, D.I, Huiskonen, J.T.
登録日2015-10-06
公開日2015-11-04
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.9 Å)
主引用文献Localized Reconstruction of Subunits from Electron Cryomicroscopy Images of Macromolecular Complexes.
Nat.Commun., 6, 2015
5FJ6
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BU of 5fj6 by Molmil
Structure of the P2 polymerase inside in vitro assembled bacteriophage phi6 polymerase complex
分子名称: MANGANESE (II) ION, RNA-DIRECTED RNA POLYMERASE
著者Ilca, S, Kotecha, A, Sun, X, Poranen, M.P, Stuart, D.I, Huiskonen, J.T.
登録日2015-10-06
公開日2015-11-04
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (7.9 Å)
主引用文献Localized Reconstruction of Subunits from Electron Cryomicroscopy Images of Macromolecular Complexes.
Nat.Commun., 6, 2015
5FJ5
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BU of 5fj5 by Molmil
Structure of the in vitro assembled bacteriophage phi6 polymerase complex
分子名称: MAJOR INNER PROTEIN P1
著者Ilca, S, Kotecha, A, Sun, X, Poranen, M.P, Stuart, D.I, Huiskonen, J.T.
登録日2015-10-06
公開日2015-11-04
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Localized Reconstruction of Subunits from Electron Cryomicroscopy Images of Macromolecular Complexes.
Nat.Commun., 6, 2015
2GC5
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BU of 2gc5 by Molmil
G51S mutant of L. casei FPGS
分子名称: Folylpolyglutamate synthase, SULFATE ION
著者Smith, C.A, Cross, J.A, Bognar, A.L, Sun, X.
登録日2006-03-13
公開日2006-06-27
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Mutation of Gly51 to serine in the P-loop of Lactobacillus casei folylpolyglutamate synthetase abolishes activity by altering the conformation of two adjacent loops.
Acta Crystallogr.,Sect.D, 62, 2006
2GC6
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S73A mutant of L. casei FPGS
分子名称: Folylpolyglutamate synthase, SULFATE ION
著者Smith, C.A, Cross, J.A, Bognar, A.L, Sun, X.
登録日2006-03-13
公開日2006-06-27
最終更新日2021-10-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mutation of Gly51 to serine in the P-loop of Lactobacillus casei folylpolyglutamate synthetase abolishes activity by altering the conformation of two adjacent loops.
Acta Crystallogr.,Sect.D, 62, 2006
2GCA
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apo form of L. casei FPGS
分子名称: Folylpolyglutamate synthase
著者Smith, C.A, Cross, J.A, Bognar, A.L, Sun, X.
登録日2006-03-13
公開日2006-06-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mutation of Gly51 to serine in the P-loop of Lactobacillus casei folylpolyglutamate synthetase abolishes activity by altering the conformation of two adjacent loops.
Acta Crystallogr.,Sect.D, 62, 2006

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