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3OLM
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BU of 3olm by Molmil
Structure and Function of a Ubiquitin Binding Site within the Catalytic Domain of a HECT Ubiquitin Ligase
分子名称: E3 ubiquitin-protein ligase RSP5, Ubiquitin
著者Kim, H.C, Steffen, A, Chen, J, Huibregtse, J.M.
登録日2010-08-26
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.495 Å)
主引用文献Structure and function of a HECT domain ubiquitin-binding site.
Embo Rep., 12, 2011
4LCD
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BU of 4lcd by Molmil
Structure of an Rsp5xUbxSna3 complex: Mechanism of ubiquitin ligation and lysine prioritization by a HECT E3
分子名称: E3 ubiquitin-protein ligase RSP5, Protein SNA3, Ubiquitin
著者Kamadurai, H.B, Miller, D, Schulman, B.A.
登録日2013-06-21
公開日2013-08-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Mechanism of ubiquitin ligation and lysine prioritization by a HECT E3.
Elife, 2, 2013
3IHP
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BU of 3ihp by Molmil
Covalent Ubiquitin-Usp5 Complex
分子名称: CHLORIDE ION, ETHANAMINE, Ubiquitin, ...
著者Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2009-07-30
公開日2009-12-29
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Covalent Ubiquitin-Usp5 Complex
To be Published
5GML
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BU of 5gml by Molmil
Crystal Structure of GRASP Domain of GRASP55 with N terminal extra residues
分子名称: Golgi reassembly-stacking protein 2
著者Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X.
登録日2016-07-14
公開日2017-07-19
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.546 Å)
主引用文献Structural relationship of the tandem PDZ tandem from Grasp55 and its implication in the unconventional secretion pathway
to be published
1WDZ
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BU of 1wdz by Molmil
Crystal structure of RCB domain of IRSp53
分子名称: insulin receptor substrate p53
著者Murayama, K, Suetsugu, S, Seto, A, Shirouzu, M, Takenawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-05-21
公開日2005-06-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Crystal structure of RCB domain of IRSp53
TO BE PUBLISHED
1P5X
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BU of 1p5x by Molmil
STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS
分子名称: Phospholipase C, ZINC ION
著者Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F.
登録日2003-04-28
公開日2003-09-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Using X-ray crystallography of the Asp55Asn mutant of the phosphatidylcholine-preferring phospholipase C from Bacillus cereus to support the mechanistic role of Asp55 as the general base.
Arch.Biochem.Biophys., 417, 2003
1P6E
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BU of 1p6e by Molmil
STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS IN COMPLEX WITH 1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE
分子名称: 1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE, Phospholipase C, ZINC ION
著者Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F.
登録日2003-04-29
公開日2003-09-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Using X-ray crystallography of the Asp55Asn mutant of the phosphatidylcholine-preferring phospholipase C from Bacillus cereus to support the mechanistic role of Asp55 as the general base.
Arch.Biochem.Biophys., 417, 2003
1P6D
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BU of 1p6d by Molmil
STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS IN COMPLEX WITH (3S)-3,4,DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE
分子名称: (3S)-3,4-DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE, PHOSPHOLIPASE C, ZINC ION
著者Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F.
登録日2003-04-29
公開日2003-09-30
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Using X-ray crystallography of the Asp55Asn mutant of the phosphatidylcholine-preferring phospholipase C from Bacillus cereus to support the mechanistic role of Asp55 as the general base.
Arch.Biochem.Biophys., 417, 2003
3RNJ
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BU of 3rnj by Molmil
Crystal structure of the SH3 domain from IRSp53 (BAIAP2)
分子名称: 1,2-ETHANEDIOL, Brain-specific angiogenesis inhibitor 1-associated protein 2, ISOPROPYL ALCOHOL, ...
著者Simister, P.C, Barilari, M, Muniz, J.R.C, Dente, L, Knapp, S, von Delft, F, Filippakopoulos, P, Vollmar, M, Chaikuad, A, Raynor, J, Tregubova, A, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC)
登録日2011-04-22
公開日2011-05-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the SH3 domain from IRSp53 (BAIAP2)
To be Published
2D5K
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BU of 2d5k by Molmil
Crystal structure of Dps from Staphylococcus aureus
分子名称: Dps family protein, GLYCEROL
著者Tanaka, Y, Yao, M, Watanabe, N, Tanaka, I.
登録日2005-11-02
公開日2006-10-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Nucleoid compaction by MrgA(Asp56Ala/Glu60Ala) does not contribute to staphylococcal cell survival against oxidative stress and phagocytic killing by macrophages
FEMS Microbiol. Lett., 360, 2014
2G6Z
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BU of 2g6z by Molmil
Crystal structure of human DUSP5
分子名称: Dual specificity protein phosphatase 5, SULFATE ION
著者Kim, S.J, Ryu, S.E.
登録日2006-02-26
公開日2007-01-16
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the catalytic domain of human DUSP5, a dual specificity MAP kinase protein phosphatase
Proteins, 66, 2007
4XY5
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BU of 4xy5 by Molmil
Crystal Structure of mutant (Asp52Ala) Hypothetical Thioesterase Protein SP_1851 from Streptococcus pneumoniae TIGR4
分子名称: Hypothetical Thioesterase Protein SP_1851
著者Khandokar, Y.B, Srivastava, P, Forwood, J.K.
登録日2015-02-02
公開日2015-05-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of mutant (Asp52Ala) Hypothetical Thioesterase Protein SP_1851 from Streptococcus pneumoniae TIGR4
To Be Published
3A3Q
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BU of 3a3q by Molmil
Structure of N59D HEN EGG-WHITE LYSOZYME in complex with (GlcNAc)3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysozyme C
著者Ose, T, Kuroki, K, Matsushima, M, Maenaka, K, Kumagai, I.
登録日2009-06-16
公開日2009-11-03
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Importance of the hydrogen bonding network including Asp52 for catalysis, as revealed by Asn59 mutant hen egg-white lysozymes
J.Biochem., 146, 2009
3A3R
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BU of 3a3r by Molmil
Structure of N59D HEN EGG-WHITE LYSOZYME
分子名称: Lysozyme C
著者Ose, T, Kuroki, K, Matsushima, M, Maenaka, K, Kumagai, I.
登録日2009-06-16
公開日2009-11-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Importance of the hydrogen bonding network including Asp52 for catalysis, as revealed by Asn59 mutant hen egg-white lysozymes
J.Biochem., 146, 2009
8C61
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BU of 8c61 by Molmil
Structure of USP54 in complex with Lys63-linked diUbiquitin-PA
分子名称: CHLORIDE ION, Inactive ubiquitin carboxyl-terminal hydrolase 54, Polyubiquitin-B, ...
著者Wendrich, K, Gersch, M.
登録日2023-01-11
公開日2024-07-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of USP54 in complex with Lys63 linked diUbiquitin-PA
To be published
6P2I
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BU of 6p2i by Molmil
Acyclic imino acid reductase (Bsp5) in complex with NADPH and D-Arg
分子名称: 1,2-ETHANEDIOL, D-ARGININE, Glycerate dehydrogenase, ...
著者Guo, J, Higgins, M.A, Daniel-Ivad, P, Ryan, K.S.
登録日2019-05-21
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献An Asymmetric Reductase That Intercepts Acyclic Imino Acids Producedin Situby a Partner Oxidase.
J.Am.Chem.Soc., 141, 2019
7O46
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BU of 7o46 by Molmil
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 17
分子名称: 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5
著者Talibov, V.O.
登録日2021-04-05
公開日2022-02-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses.
J.Am.Chem.Soc., 144, 2022
8FIG
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BU of 8fig by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease double mutant E290A/R298A in complex with GC373
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
著者Kovalevsky, A, Coates, L, Kneller, D.W.
登録日2022-12-16
公開日2023-11-22
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Insights into the mechanism of SARS-CoV-2 main protease autocatalytic maturation from model precursors.
Commun Biol, 6, 2023
4AQK
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BU of 4aqk by Molmil
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase in complex with ADP and IP6
分子名称: ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, INOSITOL-PENTAKISPHOSPHATE 2-KINASE, ...
著者I Banos-Sanz, J, Sanz-Aparicio, J, Gonzalez, B.
登録日2012-04-18
公開日2012-05-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Expression, Purification, Crystallization and Preliminary X-Ray Diffraction Analysis of the Apo Form of Insp5 2-K from Arabidopsis Thaliana.
Acta Crystallogr.,Sect.F, 68, 2012
8OKB
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BU of 8okb by Molmil
SARS-CoV2 NSP5 in complex with a peptidomimetic ligand
分子名称: 3C-like proteinase nsp5, methyl (4~{S})-4-[[(2~{S})-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]pentanoate
著者Calderone, V.
登録日2023-03-28
公開日2024-01-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Development of a GC-376 Based Peptidomimetic PROTAC as a Degrader of 3-Chymotrypsin-like Protease of SARS-CoV-2.
Acs Med.Chem.Lett., 15, 2024
8OKC
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BU of 8okc by Molmil
SARS-CoV2 NSP5 in complex with a GC-376 based peptidomimetic PROTAC
分子名称: (phenylmethyl) ~{N}-[(2~{R})-1-[[(~{Z},2~{S})-5-[4-[[1-[2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]-6-fluoranyl-1,3-bis(oxidanylidene)isoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-5-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]pent-3-en-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase nsp5
著者Calderone, V.
登録日2023-03-28
公開日2024-01-17
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Development of a GC-376 Based Peptidomimetic PROTAC as a Degrader of 3-Chymotrypsin-like Protease of SARS-CoV-2.
Acs Med.Chem.Lett., 15, 2024
3RLE
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BU of 3rle by Molmil
Crystal Structure of GRASP55 GRASP domain (residues 7-208)
分子名称: Golgi reassembly-stacking protein 2
著者Truschel, S.T, Sengupta, D, Foote, A, Heroux, A, Macbeth, M.R, Linstedt, A.D.
登録日2011-04-19
公開日2011-05-04
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.649 Å)
主引用文献Structure of the Membrane-tethering GRASP Domain Reveals a Unique PDZ Ligand Interaction That Mediates Golgi Biogenesis.
J.Biol.Chem., 286, 2011
8EJ7
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BU of 8ej7 by Molmil
Polymorphism in SARS-CoV-2 Nsp5 main protease reveals differences in cleavage of viral and host substrates
分子名称: 3C-like proteinase nsp5
著者Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
登録日2022-09-16
公開日2023-05-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献SARS-CoV-2 M pro Protease Variants of Concern Display Altered Viral Substrate and Cell Host Target Galectin-8 Processing but Retain Sensitivity toward Antivirals.
Acs Cent.Sci., 9, 2023
6J2H
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BU of 6j2h by Molmil
Crystal structure of bat (Pteropus Alecto) MHC class I Ptal-N*01:01 mutant (Met52 Asp53 Leu54 deleted) in complex with Hendra virus-derived peptide HeV1
分子名称: Beta-2-microglobulin, HeV1, Ptal-N*01:01 (Met52 Asp53 Leu54 deleted)
著者Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J.
登録日2019-01-01
公開日2019-09-18
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Peptide presentation by bat MHC class I provides new insight into the antiviral immunity of bats.
Plos Biol., 17, 2019
6ZEI
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Structure of PP1-IRSp53 S455E chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580)
分子名称: GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ...
著者Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
登録日2020-06-16
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020

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