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5FPO
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BU of 5fpo by Molmil
Structure of Bacterial DNA Ligase with small-molecule ligand 1H- indazol-7-amine (AT4213) in an alternate binding site.
分子名称: 1H-indazol-7-amine, DNA LIGASE
著者Jhoti, H, Ludlow, R.F, Pathuri, P, Saini, H.K, Tickle, I.J, Tisi, D, Verdonk, M, Williams, P.A.
登録日2015-12-02
公開日2015-12-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
8JHO
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BU of 8jho by Molmil
Cryo-EM structure of the histone deacetylase complex Rpd3S in complex with di-nucleosome
分子名称: Chromatin modification-related protein EAF3, Di-nucleosome template foward, Di-nucleosome template reverse, ...
著者Wang, H.
登録日2023-05-25
公開日2023-09-27
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (7.6 Å)
主引用文献Structure of histone deacetylase complex Rpd3S bound to nucleosome.
Nat.Struct.Mol.Biol., 30, 2023
7M16
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BU of 7m16 by Molmil
Triazole-based BET family bromodomain inhibitor bound to BRD4(D1)
分子名称: 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide, Bromodomain-containing protein 4
著者Johnson, J.A, Pomerantz, W.
登録日2021-03-12
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Systematically Mitigating the p38alpha Activity of Triazole-based BET Inhibitors
ACS Med. Chem. Lett., 10, 2019
2LF3
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BU of 2lf3 by Molmil
Solution NMR structure of HopPmaL_281_385 from Pseudomonas syringae pv. maculicola str. ES4326, Midwest Center for Structural Genomics target APC40104.5 and Northeast Structural Genomics Consortium target PsT2A
分子名称: Effector protein hopAB3
著者Wu, B, Yee, A, Houliston, S, Semesi, A, Garcia, M, Singer, A.U, Savchenko, A, Montelione, G.T, Joachimiak, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG), Ontario Centre for Structural Proteomics (OCSP)
登録日2011-06-28
公開日2011-07-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Analysis of HopPmaL Reveals the Presence of a Second Adaptor Domain Common to the HopAB Family of Pseudomonas syringae Type III Effectors.
Biochemistry, 51, 2012
2LF6
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BU of 2lf6 by Molmil
Solution NMR structure of HopABPph1448_220_320 from Pseudomonas syringae pv. phaseolicola str. 1448A, Midwest Center for Structural Genomics target APC40132.4 and Northeast Structural Genomics Consortium target PsT3A
分子名称: Effector protein hopAB1
著者Wu, B, Yee, A, Houliston, S, Semesi, A, Garcia, M, Singer, A.U, Savchenko, A, Montelione, G.T, Joachimiak, A, Arrowsmith, C.H, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG), Ontario Centre for Structural Proteomics (OCSP)
登録日2011-06-28
公開日2011-07-13
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Analysis of HopPmaL Reveals the Presence of a Second Adaptor Domain Common to the HopAB Family of Pseudomonas syringae Type III Effectors.
Biochemistry, 51, 2012
2M2J
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BU of 2m2j by Molmil
Solution NMR structure of the N-terminal domain of STM1478 from Salmonella typhimurium LT2: Target STR147A of the Northeast Structural Genomics consortium (NESG), and APC101565 of the Midwest Center for Structural Genomics (MCSG).
分子名称: Putative periplasmic protein
著者Houliston, S, Yee, A, Lemak, A, Garcia, M, Wu, B, Savchenko, A, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Midwest Center for Structural Genomics (MCSG)
登録日2012-12-21
公開日2013-05-08
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
2MA8
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BU of 2ma8 by Molmil
Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein SrfN: Northeast Structural Genomics Consortium Target StR109
分子名称: Putative secreted protein
著者Cort, J.R, Eletsky, A, Adkins, J.N, Burnet, M.C, Parish, D, Liu, K, Sukumaran, D.K, Jiang, M, Cunningham, K, Ma, T, Xiao, R, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2013-06-29
公開日2013-09-04
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural and Functional Characterization of DUF1471 Domains of Salmonella Proteins SrfN, YdgH/SssB, and YahO.
Plos One, 9, 2014
3H2Y
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BU of 3h2y by Molmil
Crystal structure of YqeH GTPase from Bacillus anthracis with dGDP bound
分子名称: 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, GTPase family protein
著者Brunzelle, J.S, Anderson, S.M, Xu, X, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-04-15
公開日2009-06-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of YqeH GTPase from Bacillus anthracis with dGDP Bound
To be Published
5JD6
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BU of 5jd6 by Molmil
Crystal structure of MGS-MChE2, an alpha/beta hydrolase enzyme from the metagenome of sediments from the lagoon of Mar Chica, Morocco
分子名称: MGS-MChE2
著者Stogios, P.J, Xu, X, Nocek, B, Yim, V, Cui, H, Martinez-Martinez, M, Golyshin, P.N, Yakima, M.M, Ferrer, M, Savchenko, A.
登録日2016-04-15
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.463 Å)
主引用文献Crystal structure of MGS-MChE2, an alpha/beta hydrolase enzyme from the metagenome of sediments from the lagoon of Mar Chica, Morocco
To Be Published
6MH7
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BU of 6mh7 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with SKT-68, a 1,4,5-trisubstituted imidazole analogue
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
著者Zhu, J.-Y, Schonbrunn, E.
登録日2018-09-17
公開日2019-08-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
J.Med.Chem., 61, 2018
6MH1
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BU of 6mh1 by Molmil
CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH HU-10, A 1,4,5-Trisubstituted Imidazole Analogue
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-(3,5-dimethylphenyl)-4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
著者Zhu, J.-Y, Schonbrunn, E.
登録日2018-09-17
公開日2019-08-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular Basis for the N-Terminal Bromodomain-and-Extra-Terminal-Family Selectivity of a Dual Kinase-Bromodomain Inhibitor.
J.Med.Chem., 61, 2018
6O3P
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BU of 6o3p by Molmil
Crystal structure of the catalytic domain of mouse Nudt12 in complex with AMP and 3 Mg2+ ions
分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, Peroxisomal NADH pyrophosphatase NUDT12, ...
著者Tong, L, Wu, Y.
登録日2019-02-27
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and mechanistic basis of mammalian Nudt12 RNA deNADding.
Nat.Chem.Biol., 15, 2019
3FTT
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BU of 3ftt by Molmil
Crystal Structure of the galactoside O-acetyltransferase from Staphylococcus aureus
分子名称: Putative acetyltransferase SACOL2570
著者Knapik, A.A, Shumilin, I.A, Cui, H, Xu, X, Chruszcz, M, Zimmerman, M.D, Cymborowski, M, Anderson, W.F, Savchenko, A, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-01-13
公開日2009-03-03
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Biophysical analysis of the putative acetyltransferase SACOL2570 from methicillin-resistant Staphylococcus aureus.
J.Struct.Funct.Genom., 14, 2013
1ZUO
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BU of 1zuo by Molmil
Structure of Human Ubiquitin-Conjugating Enzyme (UBCi) Involved in Embryo Attachment and Implantation
分子名称: BETA-MERCAPTOETHANOL, Hypothetical protein LOC92912
著者Walker, J.R, Avvakumov, G.V, Cui, H, Newman, E.M, Mackenzie, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2005-05-31
公開日2005-07-05
最終更新日2012-11-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
8HIH
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BU of 8hih by Molmil
Cryo-EM structure of Mycobacterium tuberculosis transcription initiation complex with transcription factor GlnR
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Lin, W, Shi, J, Xu, J.C.
登録日2022-11-20
公開日2023-06-07
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
8HML
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BU of 8hml by Molmil
Co-crystal structure of the C terminal DNA binding domain of Saccharopolyspora erythraea GlnR in complex with its conserved promoter DNA in 2.95 Angstrom resolution
分子名称: DNA (5'-D(*AP*CP*GP*TP*AP*AP*CP*AP*TP*CP*GP*CP*GP*GP*TP*AP*AP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*TP*TP*AP*CP*CP*GP*CP*GP*AP*TP*GP*TP*TP*AP*CP*GP*T)-3'), DNA-binding response OmpR family regulator
著者Lin, W, Xu, J.C.
登録日2022-12-04
公開日2023-06-07
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
3CQV
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BU of 3cqv by Molmil
Crystal structure of Reverb beta in complex with heme
分子名称: Nuclear receptor subfamily 1 group D member 2, PROTOPORPHYRIN IX CONTAINING FE
著者Xu, X, Dong, A, Pardee, K.I, Reinking, J, Krause, H, Schuetz, A, Zhang, R, Cui, H, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Savchenko, A, Botchkarev, A, Structural Genomics Consortium (SGC)
登録日2008-04-03
公開日2008-08-05
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structural basis of gas-responsive transcription by the human nuclear hormone receptor REV-ERBbeta.
Plos Biol., 7, 2009
4HFV
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BU of 4hfv by Molmil
Crystal structure of lpg1851 protein from Legionella pneumophila (putative T4SS effector)
分子名称: CITRIC ACID, SUCCINIC ACID, Uncharacterized protein
著者Michalska, K, Xu, X, Cui, H, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-10-05
公開日2012-11-07
最終更新日2017-01-04
実験手法X-RAY DIFFRACTION (1.901 Å)
主引用文献Diverse mechanisms of metaeffector activity in an intracellular bacterial pathogen, Legionella pneumophila.
Mol Syst Biol, 12, 2016
4I3F
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BU of 4i3f by Molmil
Crystal structure of serine hydrolase CCSP0084 from the polyaromatic hydrocarbon (PAH)-degrading bacterium Cycloclasticus zankles
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, SODIUM ION, ...
著者Stogios, P.J, Xu, X, Dong, A, Cui, H, Alcaide, M, Tornes, J, Gertler, C, Yakimov, M.M, Golyshin, P.N, Ferrer, M, Savchenko, A.
登録日2012-11-26
公開日2013-06-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Single residues dictate the co-evolution of dual esterases: MCP hydrolases from the alpha / beta hydrolase family.
Biochem.J., 454, 2013
7EKB
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BU of 7ekb by Molmil
Crystal structure of 4E10 modified with pyrene acetamide
分子名称: ACETATE ION, Fab region of the heavy chain of broadly neutralizing antibody anti-HIV-1 4E10, Fab region of the light chain of the broadly neutralizing anti-HIV-1 antibody 4E10, ...
著者Caaveiro, J.M.M, Rujas, E, Nieva, J.L.
登録日2021-04-05
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile.
Iscience, 24, 2021
7EKK
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BU of 7ekk by Molmil
Anti-HIV-1 broadly neutralizing antibody delta-loop 4E10 modified with pyrene acetamide
分子名称: AMMONIUM ION, CHLORIDE ION, GLYCEROL, ...
著者Caaveiro, J.M.M, Rujas, E, Nieva, J.L.
登録日2021-04-05
公開日2021-08-11
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Focal accumulation of aromaticity at the CDRH3 loop mitigates 4E10 polyreactivity without altering its HIV neutralization profile.
Iscience, 24, 2021
7JOO
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BU of 7joo by Molmil
Crystal structure of ICOS in complex with antibody STIM003 and anti-kappa VHH domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Inducible T-cell costimulator, ...
著者Rujas, E, Sicard, T, Julien, J.P.
登録日2020-08-06
公開日2020-10-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural characterization of the ICOS/ICOS-L immune complex reveals high molecular mimicry by therapeutic antibodies.
Nat Commun, 11, 2020
2Z5D
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BU of 2z5d by Molmil
Human ubiquitin-conjugating enzyme E2 H
分子名称: SODIUM ION, Ubiquitin-conjugating enzyme E2 H
著者Bochkarev, A, Cui, H, Walker, J.R, Newman, E.M, Mackenzie, F, Battaile, K.P, Sundstrom, M, Arrowsmith, C, Edwards, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
登録日2007-07-06
公開日2007-10-09
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
MOL.CELL PROTEOMICS, 11, 2012
6AND
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BU of 6and by Molmil
Pinatuzumab Fab in complex with anti-Kappa VHH domain
分子名称: Anti-kappa VHH domain, GLYCEROL, Pinatuzumab Fab Heavy chain, ...
著者Ereno-Orbea, J, Sicard, T, Julien, J.-P.
登録日2017-08-12
公開日2018-01-31
最終更新日2019-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis of Enhanced Crystallizability Induced by a Molecular Chaperone for Antibody Antigen-Binding Fragments.
J. Mol. Biol., 430, 2018
6ANI
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BU of 6ani by Molmil
Coltuximab Fab in complex with anti-Kappa VHH domain
分子名称: Anti-Kappa VHH domain, Coltuximab Fab heavy chain, Coltuximab Fab light chain, ...
著者Ereno Orbea, J, Sicard, T, Julien, J.-P.
登録日2017-08-13
公開日2018-01-31
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Enhanced Crystallizability Induced by a Molecular Chaperone for Antibody Antigen-Binding Fragments.
J. Mol. Biol., 430, 2018

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