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5HL7
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The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with lefamulin
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 23S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eyal, Z, Matzov, D, Krupkin, M, Rozenberg, H, Zimmerman, E, Bashan, A, Yonath, A.
登録日2016-01-14
公開日2016-12-21
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.55 Å)
主引用文献A novel pleuromutilin antibacterial compound, its binding mode and selectivity mechanism.
Sci Rep, 6, 2016
6S98
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Crystal structure of the catalytic domain of UBE2S WT.
分子名称: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ...
著者Liess, A.K.L, Lorenz, S.
登録日2019-07-11
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Dimerization regulates the human APC/C-associated ubiquitin-conjugating enzyme UBE2S.
Sci.Signal., 13, 2020
8J02
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Human KCNQ2(F104A)-CaM-PIP2-CBD complex in state II
分子名称: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ...
著者Ma, D, Li, X, Guo, J.
登録日2023-04-09
公開日2023-12-13
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
6S9W
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Crystal Structure of AKT1 in Complex with Covalent-Allosteric AKT Inhibitor 16a
分子名称: RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
著者Landel, I, Mueller, M.P, Rauh, D.
登録日2019-07-15
公開日2019-10-16
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Covalent-Allosteric Inhibitors to Achieve Akt Isoform-Selectivity.
Angew.Chem.Int.Ed.Engl., 58, 2019
8J01
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Human KCNQ2-CaM in complex with CBD and PIP2
分子名称: Calmodulin-1, Potassium voltage-gated channel subfamily KQT member 2, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate, ...
著者Ma, D, Li, X, Guo, J.
登録日2023-04-09
公開日2023-12-13
最終更新日2025-09-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Ligand activation mechanisms of human KCNQ2 channel.
Nat Commun, 14, 2023
6SA1
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BU of 6sa1 by Molmil
Post catalytic complex of Prim-PolC from Mycobacterium smegmatis with gapped DNA and 3'-dUTP
分子名称: 1,2-ETHANEDIOL, 3'-DEOXY-URIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*GP*CP*TP*CP*GP*CP*AP*AP*CP*GP*CP*A)-3'), ...
著者Brissett, N.C, Doherty, A.J.
登録日2019-07-15
公開日2020-11-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Molecular basis for DNA repair synthesis on short gaps by mycobacterial Primase-Polymerase C.
Nat Commun, 11, 2020
6SAN
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BU of 6san by Molmil
SALSA / DMBT1 / GP340 SRCR domain 8 soaked in calcium and magnesium
分子名称: CHLORIDE ION, Deleted in malignant brain tumors 1 protein, GLYCEROL, ...
著者Reichhardt, M.P, Johnson, S, Loimaranta, V, Lea, S.M.
登録日2019-07-17
公開日2020-03-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Structures of SALSA/DMBT1 SRCR domains reveal the conserved ligand-binding mechanism of the ancient SRCR fold.
Life Sci Alliance, 3, 2020
9EDN
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GII.23: Loreto1847 norovirus protruding domain
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, VP1
著者Holroyd, D.L, Kumar, A, Bruning, J.B, Hansman, G.S.
登録日2024-11-17
公開日2025-03-05
最終更新日2025-04-23
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Antigenic structural analysis of bat and human norovirus protruding (P) domains.
J.Virol., 99, 2025
7ZY9
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BU of 7zy9 by Molmil
Structure of D165A/D167A double mutant of Chit33 from Trichoderma harzianum complexed with chitintetraose.
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endochitinase 33
著者Jimenez-Ortega, E, Sanz-Aparicio, J.
登録日2022-05-24
公開日2022-08-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Function Insights into the Fungal Endo -Chitinase Chit33 Depict its Mechanism on Chitinous Material.
Int J Mol Sci, 23, 2022
7R5B
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BU of 7r5b by Molmil
Crystal structure of BRD4(1) in complex with the inhibitor MPM2
分子名称: (R,R)-2,3-BUTANEDIOL, 1-(3-aminophenyl)-3-methyl-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrol-4-one, Bromodomain-containing protein 4, ...
著者Huegle, M.
登録日2022-02-10
公開日2023-02-08
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献A novel pan-selective bromodomain inhibitor for epigenetic drug design
Eur.J.Med.Chem., 249, 2023
9B8E
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BU of 9b8e by Molmil
Structure of S-nitrosylated Legionella pneumophila Ceg10.
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
著者Tomchick, D.R, Heisler, D.B, Alto, N.M.
登録日2024-03-29
公開日2024-04-10
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Exploiting bacterial effector proteins to uncover evolutionarily conserved antiviral host machinery.
Plos Pathog., 20, 2024
6SGX
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BU of 6sgx by Molmil
Structure of protomer 1 of the ESX-3 core complex
分子名称: ESX-3 secretion system EccB3, ESX-3 secretion system protein EccC3, ESX-3 secretion system protein EccD3, ...
著者Famelis, N, Rivera-Calzada, A, Llorca, O, Geibel, S.
登録日2019-08-05
公開日2019-10-09
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Architecture of the mycobacterial type VII secretion system.
Nature, 576, 2019
5N87
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TTK kinase domain in complex with NTRC 0066-0
分子名称: 2,5,8,11-TETRAOXATRIDECANE, Dual specificity protein kinase TTK, SODIUM ION, ...
著者Uitdehaag, J, Willemsen-Seegers, N, Sterrenburg, J.G, de Man, J, Buijsman, R.C, Zaman, G.J.R.
登録日2017-02-23
公開日2017-05-31
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
8YJC
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BU of 8yjc by Molmil
Structure of Vibrio vulnificus MARTX cysteine protease domain C3727A
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, INOSITOL HEXAKISPHOSPHATE, Multifunctional autoprocessing repeat-in-toxin (MARTX), ...
著者Chen, L, Khan, H, Tan, L, Li, X, Zhang, G, Im, Y.J.
登録日2024-03-01
公開日2024-07-10
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis of the activation of MARTX cysteine protease domain from Vibrio vulnificus.
Plos One, 19, 2024
9ITI
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BU of 9iti by Molmil
Nav1.7 with mutations that eliminate beta1 binding
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Yan, N, Li, Z, Wu, T.
登録日2024-07-20
公開日2025-08-20
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Critical role of extracellular loops in differential modulations of TTX-sensitive and TTX-resistant Na v channels.
Proc.Natl.Acad.Sci.USA, 122, 2025
7R2A
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BU of 7r2a by Molmil
Crystal structure of Ta_Cel5A Y200F variant, apoform
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, EGI, SULFATE ION
著者Dutoit, R.
登録日2022-02-04
公開日2023-02-15
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of Ta_Cel5A Y200F variant, apoform
To Be Published
8ID0
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BU of 8id0 by Molmil
Crystal structure of PflD bound to 1,5-anhydromannitol-6-phosphate in Streptococcus dysgalactiae subsp. equisimilis
分子名称: [(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate, formate C-acetyltransferase
著者Ma, K.L, Zhang, Y.
登録日2023-02-11
公開日2024-10-02
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献A Widespread Radical-Mediated Glycolysis Pathway.
J.Am.Chem.Soc., 146, 2024
8A56
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BU of 8a56 by Molmil
Coenzyme A-persulfide reductase (CoAPR) from Enterococcus faecalis
分子名称: 1,2-ETHANEDIOL, 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, Coenzyme A-persulfide reductase, ...
著者Costa, S.S, Walsh, B.J, Giedroc, D.P, Brito, J.A.
登録日2022-06-14
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Metabolic and Structural Insights into Hydrogen Sulfide Mis-Regulation in Enterococcus faecalis.
Antioxidants, 11, 2022
5N0P
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BU of 5n0p by Molmil
Crystal structure of OphA-DeltaC18 in complex with SAH
分子名称: 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, peptide N-methyltranferase
著者Naismith, J.H, Song, H.
登録日2017-02-03
公開日2018-02-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
5N0X
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Crystal structure of OphA-DeltaC6 in complex with SAM
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Peptide N-Methyltransferase, ...
著者Song, H, Naismith, J.H.
登録日2017-02-03
公開日2018-02-14
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献A molecular mechanism for the enzymatic methylation of nitrogen atoms within peptide bonds.
Sci Adv, 4, 2018
7R4B
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BU of 7r4b by Molmil
The Bacillus pumilus chorismate mutase
分子名称: 1,2-ETHANEDIOL, Chorismate mutase AroH
著者Lund, B.A.
登録日2022-02-08
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The Bacillus pumilus chorismate mutase
To Be Published
5K2B
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BU of 5k2b by Molmil
2.5 angstrom A2a adenosine receptor structure with MR phasing using XFEL data
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, ...
著者Batyuk, A, Galli, L, Ishchenko, A, Han, G.W, Gati, C, Popov, P, Lee, M.-Y, Stauch, B, White, T.A, Barty, A, Aquila, A, Hunter, M.S, Liang, M, Boutet, S, Pu, M, Liu, Z.-J, Nelson, G, James, D, Li, C, Zhao, Y, Spence, J.C.H, Liu, W, Fromme, P, Katritch, V, Weierstall, U, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
登録日2016-05-18
公開日2016-09-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Native phasing of x-ray free-electron laser data for a G protein-coupled receptor.
Sci Adv, 2, 2016
8RUA
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BU of 8rua by Molmil
Crystal structure of Rhizobium etli L-asparaginase ReAV C135A mutant
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者Pokrywka, K, Grzechowiak, M, Sliwiak, J, Worsztynowicz, P, Loch, J.I, Ruszkowski, M, Gilski, M, Jaskolski, M.
登録日2024-01-30
公開日2024-04-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Probing the active site of Class 3 L-asparaginase by mutagenesis. I. Tinkering with the zinc coordination site of ReAV.
Front Chem, 12, 2024
8DGC
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BU of 8dgc by Molmil
Avs3 bound to phage PhiV-1 terminase
分子名称: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SeAvs3, ...
著者Wilkinson, M.E, Gao, L, Strecker, J, Makarova, K.S, Macrae, R.K, Koonin, E.V, Zhang, F.
登録日2022-06-23
公開日2022-08-03
最終更新日2025-05-14
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Prokaryotic innate immunity through pattern recognition of conserved viral proteins.
Science, 377, 2022
8IVP
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Crystal structure of MV in complex with LLP and FRU from Mycobacterium vanbaalenii
分子名称: Branched chain amino acid: 2-keto-4-methylthiobutyrate aminotransferase, D-fructose
著者Li, Q, Zhu, Y.M, Gao, J, Wei, H.L, Han, X, Liu, W.D, Sun, Y.X.
登録日2023-03-28
公開日2024-01-24
最終更新日2025-08-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Protein engineering of transaminase facilitating enzyme cascade reaction for the biosynthesis of azasugars.
Iscience, 27, 2024

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