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6QCI
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BU of 6qci by Molmil
Structure of XIAP-BIR1 V86E mutant
分子名称: DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ...
著者Sorrentino, L, Cossu, F, Milani, M, Mastrangelo, E.
登録日2018-12-28
公開日2019-05-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Activity Relationship of NF023 Derivatives Binding to XIAP-BIR1.
Chemistryopen, 8, 2019
7QYJ
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BU of 7qyj by Molmil
The structure of T. forsythia NanH
分子名称: BNR/Asp-box repeat protein
著者Rafferty, J, Stafford, G, Satur, M.
登録日2022-01-28
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structural and functional characterisation of a stable, broad-specificity multimeric sialidase from the oral pathogen Tannerella forsythia.
Biochem.J., 479, 2022
6QCM
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BU of 6qcm by Molmil
Cryo em structure of the Listeria stressosome
分子名称: RsbR protein, RsbR protein,RsbR protein, RsbS protein
著者Williams, A.H, Redzej, A, Waksman, G, Cossart, P.
登録日2018-12-28
公開日2019-08-21
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.21 Å)
主引用文献The cryo-electron microscopy supramolecular structure of the bacterial stressosome unveils its mechanism of activation.
Nat Commun, 10, 2019
7QFI
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BU of 7qfi by Molmil
Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain I (aa 31-182)
分子名称: CALCIUM ION, SlpX
著者Sagmeister, T, Damisch, E, Millan, C, Uson, I, Eder, M, Pavkov-Keller, T.
登録日2021-12-06
公開日2022-12-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
6QDZ
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BU of 6qdz by Molmil
P38 alpha complex with AR117045
分子名称: 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[(1~{S},4~{S})-4-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
著者Brown, D.G, Hurley, C, Irving, S.L.
登録日2019-01-03
公開日2020-01-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献P38 alpha complex with AR117045
To Be Published
6QE9
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BU of 6qe9 by Molmil
The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and complex I, a pentacoordinate Pt(II) compound containing 2,9-dimethyl-1,10-phenanthroline, dimethylfumarate, methyl and iodine as ligands
分子名称: Ribonuclease pancreatic, SULFATE ION, pentacoordinate Pt(II) compound
著者Merlino, A, Ferraro, G.
登録日2019-01-07
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Reaction with Proteins of a Five-Coordinate Platinum(II) Compound.
Int J Mol Sci, 20, 2019
7QFK
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BU of 7qfk by Molmil
Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain II, Co-Crystallization with HgCl2, Mutation Ser316Cys (aa 194-362)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, CHLORIDE ION, ...
著者Sagmeister, T, Pavkov-Keller, T, Buhlheller, C.
登録日2021-12-06
公開日2022-12-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
7QTR
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BU of 7qtr by Molmil
GB1 in mammalian cells, 50 uM
分子名称: Immunoglobulin G-binding protein G
著者Gerez, J.A, Prymaczok, N.C, Kadavath, H, Gosh, D, Butikofer, M, Guntert, P, Riek, R.
登録日2022-01-15
公開日2022-12-21
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Protein structure determination in human cells by in-cell NMR and a reporter system to optimize protein delivery or transexpression.
Commun Biol, 5, 2022
4FF6
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BU of 4ff6 by Molmil
Mycobacterium tuberculosis DprE1 in complex with CT325 - monoclinic crystal form
分子名称: 3-(hydroxyamino)-N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)benzamide, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ...
著者Batt, S.M, Besra, G.S, Futterer, K.
登録日2012-05-31
公開日2012-07-04
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of inhibition of Mycobacterium tuberculosis DprE1 by benzothiazinone inhibitors.
Proc.Natl.Acad.Sci.USA, 109, 2012
7QY9
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BU of 7qy9 by Molmil
The structure of T.forsythia NanH with oseltamivir
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, BNR/Asp-box repeat protein
著者Rafferty, J, Stafford, G, Satur, M.
登録日2022-01-27
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural and functional characterisation of a stable, broad-specificity multimeric sialidase from the oral pathogen Tannerella forsythia.
Biochem.J., 479, 2022
8DW9
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BU of 8dw9 by Molmil
Crystal structure of neutralizing antibody D29 Fab in complex with SARS-CoV-2 spike receptor binding domain (RBD)
分子名称: D29 Fab light chain, D29 Heavy chain, Spike protein S1
著者Reddem, E.R, Shapiro, L.
登録日2022-08-01
公開日2022-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (4 Å)
主引用文献Structural insights into broadly neutralizing antibodies elicited by hybrid immunity against SARS-CoV-2.
Emerg Microbes Infect, 12, 2023
6Q50
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BU of 6q50 by Molmil
Structure of MPT-4, a mannose phosphorylase from Leishmania mexicana, in complex with phosphate ion
分子名称: 1,2-ETHANEDIOL, MPT-4, PHOSPHATE ION, ...
著者Sobala, L.F, Males, A, Bastidas, L.M, Ward, T, Sernee, M.F, Ralton, J.E, Nero, T.L, Cobbold, S, Kloehn, J, Viera-Lara, M, Stanton, L, Hanssen, E, Parker, M.W, Williams, S.J, McConville, M.J, Davies, G.J.
登録日2018-12-06
公開日2019-09-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites.
Cell Host Microbe, 26, 2019
7QZ3
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BU of 7qz3 by Molmil
The structure of T. forsythia NanH
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BNR/Asp-box repeat protein
著者Rafferty, J, Stafford, G, Satur, M.
登録日2022-01-30
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural and functional characterisation of a stable, broad-specificity multimeric sialidase from the oral pathogen Tannerella forsythia.
Biochem.J., 479, 2022
6Q55
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BU of 6q55 by Molmil
Crystal structure of Cryptosporidium hominis CPSF3 in complex with Compound 61
分子名称: 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid, Cleavage and Polyadenylation Specificity Factor 3 (CPSF3), GLYCEROL, ...
著者Palencia, A, Swale, C.
登録日2018-12-07
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metal-captured inhibition of pre-mRNA processing activity by CPSF3 controls Cryptosporidium infection.
Sci Transl Med, 11, 2019
6QF8
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BU of 6qf8 by Molmil
Solution NMR ensemble for human ubiquitin at 298K compiled using the CoMAND method
分子名称: Polyubiquitin-B
著者ElGamacy, M, Truffault, V, Zhu, H, Coles, M.
登録日2019-01-09
公開日2019-04-10
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mapping Local Conformational Landscapes of Proteins in Solution.
Structure, 27, 2019
7QTS
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BU of 7qts by Molmil
GB1 in mammalian cells, 10 uM
分子名称: Immunoglobulin G-binding protein G
著者Gerez, J.A, Prymaczok, N.C, Kadavath, H, Gosh, D, Butikofer, M, Guntert, P, Riek, R.
登録日2022-01-15
公開日2022-12-21
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Protein structure determination in human cells by in-cell NMR and a reporter system to optimize protein delivery or transexpression.
Commun Biol, 5, 2022
6QFR
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BU of 6qfr by Molmil
Structure of the mitogen activated kinase kinase 7 dfg-out conformation
分子名称: Dual specificity mitogen-activated protein kinase kinase 7
著者Wolle, P, Mueller, M.P, Rauh, D.
登録日2019-01-10
公開日2019-05-22
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
7QH1
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BU of 7qh1 by Molmil
Discovery and development of a novel inhaled antivirulence therapy for the treatment of Pseudomonas aeruginosa infections in patients with chronic respiratory disease
分子名称: 2-[2-[[5-[3-[bis(2-hydroxyethyl)-methyl-$l^{4}-azanyl]propoxy]-6-methoxy-1,3-benzothiazol-2-yl]methylcarbamoyl]-5,6-bis(fluoranyl)-1,3-dihydroinden-2-yl]ethanoic acid, CALCIUM ION, Keratinase KP2, ...
著者Leonard, P.M, Davies, D, Pallin, T.D.
登録日2021-12-10
公開日2022-12-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Chemical Optimization of Selective Pseudomonas aeruginosa LasB Elastase Inhibitors and Their Impact on LasB-Mediated Activation of IL-1 beta in Cellular and Animal Infection Models.
Acs Infect Dis., 9, 2023
7QYP
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BU of 7qyp by Molmil
The structure of T. forsythia NanH
分子名称: 1,2-ETHANEDIOL, BNR/Asp-box repeat protein
著者Rafferty, J, Stafford, G, Satur, M.
登録日2022-01-28
公開日2022-12-07
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.659 Å)
主引用文献Structural and functional characterisation of a stable, broad-specificity multimeric sialidase from the oral pathogen Tannerella forsythia.
Biochem.J., 479, 2022
6Q6C
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BU of 6q6c by Molmil
Pore-modulating toxins exploit inherent slow inactivation to block K+ channels
分子名称: 1,2-ETHANEDIOL, Kunitz-type conkunitzin-S1, NITRATE ION, ...
著者Karbat, I, Gueta, H, Fine, S, Szanto, T, Hamer-Rogotner, S, Dym, O, Frolow, F, Gordon, D, Panyi, G, Gurevitz, M, Reuveny, E.
登録日2018-12-10
公開日2019-08-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Pore-modulating toxins exploit inherent slow inactivation to block K+channels.
Proc.Natl.Acad.Sci.USA, 116, 2019
7QFJ
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BU of 7qfj by Molmil
Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain II (aa 194-362)
分子名称: SlpX
著者Sagmeister, T, Pavkov-Keller, T, Buhlheller, C, Baek, M, Read, R, Baker, D.
登録日2021-12-06
公開日2022-12-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
7QFG
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BU of 7qfg by Molmil
Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain III (aa 309-444)
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, S-layer protein
著者Sagmeister, T, Eder, M, Pavkov-Keller, T.
登録日2021-12-06
公開日2022-12-21
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
7QGW
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BU of 7qgw by Molmil
Sulfonated Calpeptin is a promising drug candidate against SARS-CoV-2 infections
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Calpeptin, ...
著者Loboda, J, Karnicar, K, Lindic, N, Usenik, A, Lieske, J, Meents, A, Guenther, S, Reinke, P.Y.A, Falke, S, Ewert, W, Turk, D.
登録日2021-12-10
公開日2022-12-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
6QH3
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BU of 6qh3 by Molmil
Catalytic domain of the human ubiquitin-conjugating enzyme UBE2S C118M
分子名称: 1,2-ETHANEDIOL, Ubiquitin-conjugating enzyme E2 S
著者Liess, A.K.L, Lorenz, S.
登録日2019-01-15
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Autoinhibition Mechanism of the Ubiquitin-Conjugating Enzyme UBE2S by Autoubiquitination.
Structure, 27, 2019
6QIM
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BU of 6qim by Molmil
Structure of AtPIP2;4
分子名称: Probable aquaporin PIP2-4
著者Schoebel, S, Wang, H.
登録日2019-01-21
公開日2019-11-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Characterization of aquaporin-driven hydrogen peroxide transport.
Biochim Biophys Acta Biomembr, 1862, 2020

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件を2024-07-10に公開中

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