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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
Descriptor: E3 ubiquitin-protein ligase RSP5, Ubiquitin
Authors:Kim, H.C, Steffen, A, Chen, J, Huibregtse, J.M.
Deposit date:2010-08-26
Release date:2011-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.495 Å)
Cite: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
Descriptor: E3 ubiquitin-protein ligase RSP5, Protein SNA3, Ubiquitin
Authors:Kamadurai, H.B, Miller, D, Schulman, B.A.
Deposit date:2013-06-21
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: CHLORIDE ION, ETHANAMINE, Ubiquitin, ...
Authors: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)
Deposit date:2009-07-30
Release date:2009-12-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: Golgi reassembly-stacking protein 2
Authors:Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X.
Deposit date:2016-07-14
Release date:2017-07-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.546 Å)
Cite: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
Descriptor: insulin receptor substrate p53
Authors:Murayama, K, Suetsugu, S, Seto, A, Shirouzu, M, Takenawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-21
Release date:2005-06-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.63 Å)
Cite: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
Descriptor: Phospholipase C, ZINC ION
Authors:Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F.
Deposit date:2003-04-28
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE, Phospholipase C, ZINC ION
Authors:Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F.
Deposit date:2003-04-29
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: (3S)-3,4-DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE, PHOSPHOLIPASE C, ZINC ION
Authors:Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F.
Deposit date:2003-04-29
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, Brain-specific angiogenesis inhibitor 1-associated protein 2, ISOPROPYL ALCOHOL, ...
Authors: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)
Deposit date:2011-04-22
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite: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
Descriptor: Dps family protein, GLYCEROL
Authors:Tanaka, Y, Yao, M, Watanabe, N, Tanaka, I.
Deposit date:2005-11-02
Release date:2006-10-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: Dual specificity protein phosphatase 5, SULFATE ION
Authors:Kim, S.J, Ryu, S.E.
Deposit date:2006-02-26
Release date:2007-01-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: Hypothetical Thioesterase Protein SP_1851
Authors:Khandokar, Y.B, Srivastava, P, Forwood, J.K.
Deposit date:2015-02-02
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 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
Authors:Ose, T, Kuroki, K, Matsushima, M, Maenaka, K, Kumagai, I.
Deposit date:2009-06-16
Release date:2009-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Lysozyme C
Authors:Ose, T, Kuroki, K, Matsushima, M, Maenaka, K, Kumagai, I.
Deposit date:2009-06-16
Release date:2009-11-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite: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
Descriptor: CHLORIDE ION, Inactive ubiquitin carboxyl-terminal hydrolase 54, Polyubiquitin-B, ...
Authors:Wendrich, K, Gersch, M.
Deposit date:2023-01-11
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, D-ARGININE, Glycerate dehydrogenase, ...
Authors:Guo, J, Higgins, M.A, Daniel-Ivad, P, Ryan, K.S.
Deposit date:2019-05-21
Release date:2019-07-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.63 Å)
Cite: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
Descriptor: 2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione, 3C-like proteinase nsp5
Authors:Talibov, V.O.
Deposit date:2021-04-05
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.23 Å)
Cite: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
Descriptor: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Kovalevsky, A, Coates, L, Kneller, D.W.
Deposit date:2022-12-16
Release date:2023-11-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, INOSITOL-PENTAKISPHOSPHATE 2-KINASE, ...
Authors:I Banos-Sanz, J, Sanz-Aparicio, J, Gonzalez, B.
Deposit date:2012-04-18
Release date:2012-05-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 3C-like proteinase nsp5, methyl (4~{S})-4-[[(2~{S})-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]pentanoate
Authors:Calderone, V.
Deposit date:2023-03-28
Release date:2024-01-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.31 Å)
Cite: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
Descriptor: (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
Authors:Calderone, V.
Deposit date:2023-03-28
Release date:2024-01-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite: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)
Descriptor: Golgi reassembly-stacking protein 2
Authors:Truschel, S.T, Sengupta, D, Foote, A, Heroux, A, Macbeth, M.R, Linstedt, A.D.
Deposit date:2011-04-19
Release date:2011-05-04
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.649 Å)
Cite: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
Descriptor: 3C-like proteinase nsp5
Authors:Lu, J, Khan, M.B, Young, H.S, Lemieux, M.J.
Deposit date:2022-09-16
Release date:2023-05-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Beta-2-microglobulin, HeV1, Ptal-N*01:01 (Met52 Asp53 Leu54 deleted)
Authors:Lu, D, Liu, K.F, Yue, C, Lu, Q, Cheng, H, Chai, Y, Qi, J.X, Gao, G.F, Liu, W.J.
Deposit date:2019-01-01
Release date:2019-09-18
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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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BU of 6zei by Molmil
Structure of PP1-IRSp53 S455E chimera [PP1(7-304) + linker (G/S)x9 + IRSp53(449-465)] bound to Phactr1 (516-580)
Descriptor: GLYCEROL, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Mouilleron, S, Treisman, R, Fedoryshchak, R, Lee, R, Butler, A.M, Prechova, M.
Deposit date:2020-06-16
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Molecular basis for substrate specificity of the Phactr1/PP1 phosphatase holoenzyme.
Elife, 9, 2020

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