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6DD8
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Structure of mouse SYCP3, P21 form
分子名称: Synaptonemal complex protein 3
著者Rosenberg, S.C, Munoz, I.C, Uson, I, Corbett, K.D.
登録日2018-05-09
公開日2018-08-01
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A conserved filamentous assembly underlies the structure of the meiotic chromosome axis.
Elife, 8, 2019
6DPI
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Crystal Structure of Bacillus Halodurans Ribonuclease H1 K196A in Complex with an RNA/DNA Hybrid: Reaction in 10 mM Mg2+ and 200 mM Rb+ for 40 s at 21 C
分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), 5'-R(P*CP*G)-3' portion of intact RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.347 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
7P2W
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E.coli GyrB24 with inhibitor LMD92 (EBL2682)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, ...
著者Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
7P2X
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E.coli GyrB24 with inhibitor KOB20 (EBL2583)
分子名称: (2Z)-2-[[4,5-bis(bromanyl)-1H-pyrrol-2-yl]carbonylimino]-3-(phenylmethyl)-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION
著者Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Benek, O, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献E.coli GyrB24 with inhibitor KOB20 (EBL2583)
TO BE PUBLISHED
7P2M
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E.coli GyrB24 with inhibitor LMD43 (EBL2560)
分子名称: 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION
著者Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Durcik, M, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Discovery and Hit-to-Lead Optimization of Benzothiazole Scaffold-Based DNA Gyrase Inhibitors with Potent Activity against Acinetobacter baumannii and Pseudomonas aeruginosa.
J.Med.Chem., 66, 2023
6DF2
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BU of 6df2 by Molmil
Improved anti-phosphotyrosine antibody 4G10-S5-4D5 Fab complexed with phosphotyrosine peptide
分子名称: Anti-phosphotyrosine antibody c310-4D5 heavy chain, Anti-phosphotyrosine antibody c310-4D5 light chain, LEU-PTR-LEU
著者Mou, K, Leung, K, Wells, J.A.
登録日2018-05-13
公開日2018-11-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Engineering Improved Antiphosphotyrosine Antibodies Based on an Immunoconvergent Binding Motif.
J. Am. Chem. Soc., 140, 2018
7P2V
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Crystal structure of Schistosoma mansoni HDAC8 in complex with a 4-chlorophenyl-spiroindoline capped hydroxamate-based inhibitor, bound to a novel site
分子名称: 5-[[(2S)-2-(4-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, DI(HYDROXYETHYL)ETHER, Histone deacetylase 8, ...
著者Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
6DTF
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BU of 6dtf by Molmil
Crystal structure of Haemophilus influenzae OppA complex with KKK
分子名称: LYS-LYS-LYS, Periplasmic oligopeptide-binding protein, SULFATE ION
著者Tanaka, K.J, Pinkett, H.W.
登録日2018-06-16
公開日2018-11-28
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Oligopeptide-binding protein from nontypeableHaemophilus influenzaehas ligand-specific sites to accommodate peptides and heme in the binding pocket.
J. Biol. Chem., 294, 2019
7OWJ
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BU of 7owj by Molmil
Odinarchaeota Adenylate kinase (OdinAK) in complex with GTP
分子名称: Adenylate kinase, GUANOSINE-5'-TRIPHOSPHATE
著者Aberg-Zingmark, E, Grundstrom, C, Verma, A, Wolf-Watz, M, Sauer, U.H, Sauer-Eriksson, A.E.
登録日2021-06-18
公開日2022-09-28
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insights into the evolution of enzymatic specificity and catalysis: From Asgard archaea to human adenylate kinases.
Sci Adv, 8, 2022
6DUJ
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Crystal structure of A51V variant of Human Cytochrome c
分子名称: Cytochrome c, HEME C
著者Lei, H, Bowler, B.E.
登録日2018-06-20
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.82202721 Å)
主引用文献Naturally Occurring A51V Variant of Human CytochromecDestabilizes the Native State and Enhances Peroxidase Activity.
J.Phys.Chem.B, 123, 2019
7P33
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BU of 7p33 by Molmil
Epstein-Barr virus encoded Bcl-2 homolog BHRF-1 in complex with Bid BH3 peptide
分子名称: 1,2-ETHANEDIOL, Apoptosis regulator BHRF1, BH3-interacting domain death agonist p15, ...
著者Suraweera, C.D, Hinds, M.G, Kvansakul, M.
登録日2021-07-07
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.78542733 Å)
主引用文献Crystal Structures of Epstein-Barr Virus Bcl-2 Homolog BHRF1 Bound to Bid and Puma BH3 Motif Peptides.
Viruses, 14, 2022
7P2N
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BU of 7p2n by Molmil
E.coli GyrB24 with inhibitor LSJ38 (EBL2684)
分子名称: 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-5-oxidanyl-1,3-benzothiazole-6-carboxylic acid, DNA gyrase subunit B, PHOSPHATE ION
著者Stevenson, C.E.M, Lawson, D.M, Maxwell, A.M, Henderson, S.R, Kikelj, D, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.16 Å)
主引用文献Exploring the 5-Substituted 2-Aminobenzothiazole-Based DNA Gyrase B Inhibitors Active against ESKAPE Pathogens.
Acs Omega, 8, 2023
7P3U
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BU of 7p3u by Molmil
Chitin-active fungal AA11 LPMO
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Endoglucanase, putative
著者Rohr, A.K, Stoepamo, F.G, Eijsink, V.G.H.
登録日2021-07-08
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Characterization of a lytic polysaccharide monooxygenase from Aspergillus fumigatus shows functional variation among family AA11 fungal LPMOs.
J.Biol.Chem., 297, 2021
7P2U
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Crystal structure of Schistosoma mansoni HDAC8 in complex with a 3-chlorophenyl-spiroindoline capped hydroxamate-based inhibitor, bound to a novel site
分子名称: 5-[[(2R)-2-(3-chlorophenyl)-1'-methyl-spiro[2H-indole-3,4'-piperidine]-1-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, CHLORIDE ION, Histone deacetylase 8, ...
著者Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G.
登録日2021-07-06
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
7P3L
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BU of 7p3l by Molmil
Isopenicillin N synthase in complex with Fe and the substrate analogue AadCyshomoCys
分子名称: 2-AMINOHEXANEDIOIC ACID, CYSTEINE, D-homocysteine, ...
著者Rabe, P, Clifton, I, Schofield, C.J.
登録日2021-07-08
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Isopenicillin N synthase in complex with Fe and the substrate analogue AadCyshomoCys
To Be Published
6DVM
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BU of 6dvm by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with DDK-122
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide, ...
著者Porter, N.J, Christianson, D.W.
登録日2018-06-24
公開日2018-08-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
7P5R
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BU of 7p5r by Molmil
Racemic protein crystal structure of lacticin Q from Lactococcus lactis
分子名称: D-Lacticin Q, FORMIC ACID, Lacticin Q
著者Lander, A.J, Li, X, Baumann, P, Rizkallah, P, Luk, L.Y.P, Jin, Y.
登録日2021-07-14
公開日2022-07-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
6DVO
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BU of 6dvo by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with Bavarostat
分子名称: 1,2-ETHANEDIOL, 3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide, Hdac6 protein, ...
著者Porter, N.J, Christianson, D.W.
登録日2018-06-24
公開日2018-08-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Histone Deacetylase 6-Selective Inhibitors and the Influence of Capping Groups on Hydroxamate-Zinc Denticity.
J. Med. Chem., 61, 2018
6DJQ
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Vps1 GTPase-BSE fusion complexed with GDP.AlF4-
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, SODIUM ION, ...
著者Varlakhanova, N.V, Brady, T.M, Tornabene, B.A, Hosford, C.J, Chappie, J.S, Ford, M.G.J.
登録日2018-05-25
公開日2018-08-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of the fungal dynamin-related protein Vps1 reveal a unique, open helical architecture.
J. Cell Biol., 217, 2018
6DOC
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BU of 6doc by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 200 mM K+ for 240 s at 21 C
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*GP*AP*TP*GP*T)-3'), GLYCEROL, ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.496 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
7P2S
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Crystal structure of Schistosoma mansoni HDAC8 in complex with a tricyclic thieno[3,2-b]indole capped hydroxamate-based inhibitor, chlorine derivative
分子名称: 5-[[(2R)-7-fluoranyl-2-phenyl-2,3-dihydrothieno[3,2-b]indol-4-yl]methyl]-N-oxidanyl-thiophene-2-carboxamide, Histone deacetylase 8, POTASSIUM ION, ...
著者Saccoccia, F, Gemma, S, Campiani, G, Ruberti, G.
登録日2021-07-06
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of Schistosoma mansoni histone deacetylase 8 reveal a novel binding site for allosteric inhibitors.
J.Biol.Chem., 298, 2022
6DOO
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BU of 6doo by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 100 mM K+ for 120 s at 21 C (dataset 2)
分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
7P43
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BU of 7p43 by Molmil
Structure of CgGBE in complex with maltotriose
分子名称: 1,4-alpha-glucan-branching enzyme, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
著者Ballut, L, Conchou, L, Violot, S, Galisson, F, Aghajari, N.
登録日2021-07-09
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The Candida glabrata glycogen branching enzyme structure reveals unique features of branching enzymes of the Saccharomycetaceae phylum.
Glycobiology, 32, 2022
7OOO
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The crystal structure of a DNA:RNA hybrid duplex sequence CTTTTCTTTG containing an LNA-Amide-LNA modification
分子名称: DNA (5'-D(*CP*TP*(05A)P*TP*CP*TP*TP*TP*G)-3'), MAGNESIUM ION, RNA (5'-R(*CP*AP*AP*AP*GP*AP*AP*AP*AP*G)-3')
著者Thorpe, C, Hardwick, J, McDonough, M.A, Hall, J.P, Baker, Y.R, El-Sagheer, A.H, Brown, T.
登録日2021-05-28
公開日2022-08-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献An LNA-amide modification that enhances the cell uptake and activity of phosphorothioate exon-skipping oligonucleotides.
Nat Commun, 13, 2022
6DP0
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Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2.5 mM Mg2+ and 75 mM K+ for 40 s at 21 C
分子名称: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ...
著者Samara, N.L, Yang, W.
登録日2018-06-09
公開日2018-08-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.451 Å)
主引用文献Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018

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