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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
5MUW
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BU of 5muw by Molmil
Atomic structure of P4 packaging enzyme fitted into a localized reconstruction of bacteriophage phi6 vertex
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
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
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Why is the Omicron main protease of SARS-CoV-2 less stable than its wild-type counterpart? A crystallographic, biophysical, and theoretical study
Hlife, 2, 2024
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
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Why is the Omicron main protease of SARS-CoV-2 less stable than its wild-type counterpart? A crystallographic, biophysical, and theoretical study
Hlife, 2, 2024
8R26
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BU of 8r26 by Molmil
SARS-CoV-2 Mpro (Omicron,P132H) in complex with alpha-ketoamide 13b-K at pH 8.5
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, ~{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2023-11-03
公開日2024-11-13
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Why is the Omicron main protease of SARS-CoV-2 less stable than its wild-type counterpart? A crystallographic, biophysical, and theoretical study
Hlife, 2, 2024
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
7F00
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BU of 7f00 by Molmil
Crystal structure of SPD_0310
分子名称: SULFATE ION, UPF0371 protein SPRM200_0309
著者Cao, K, Zhang, T, Li, N, Yang, X, Ding, J, He, Q, Sun, X.
登録日2021-06-03
公開日2022-04-27
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Identification and Tetramer Structure of Hemin-Binding Protein SPD_0310 Linked to Iron Homeostasis and Virulence of Streptococcus pneumoniae.
Msystems, 7, 2022
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2024-10-30
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
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
5TYT
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BU of 5tyt by Molmil
Crystal Structure of the PDZ domain of RhoGEF bound to CXCR2 C-terminal peptide
分子名称: Rho guanine nucleotide exchange factor 11, C-X-C chemokine receptor type 2 chimera
著者Spellmon, N, Holcomb, J, Niu, A, Choudhary, V, Sun, X, Brunzelle, J, Li, C, Yang, Z.
登録日2016-11-21
公開日2017-02-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.398 Å)
主引用文献Structural basis of PDZ-mediated chemokine receptor CXCR2 scaffolding by guanine nucleotide exchange factor PDZ-RhoGEF.
Biochem. Biophys. Res. Commun., 485, 2017
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
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
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
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
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
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
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2024-11-13
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
6E67
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BU of 6e67 by Molmil
Structure of beta2 adrenergic receptor fused to a Gs peptide
分子名称: 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Beta-2 adrenergic receptor,Endolysin,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short,Beta-2 adrenergic receptor chimera
著者Liu, X, Xu, X, Hilger, D, Tiemann, J, Liu, H, Du, Y, Hirata, K, Sun, X, Guixa-Gonzalez, R, Mathiesen, J, Hildebrand, P, Kobilka, B.
登録日2018-07-24
公開日2019-06-05
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structural Insights into the Process of GPCR-G Protein Complex Formation.
Cell, 177, 2019
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2024-11-13
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2024-11-06
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
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2024-11-20
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

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