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7TGN
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Crystal structure of DesD, the desferrioxamine synthetase from the Streptomyces violaceus salmycin biosynthetic pathway
分子名称: 1,2-ETHANEDIOL, CITRATE ANION, Desferrioxamine synthetase DesD, ...
著者Patel, K.D, Gulick, A.M.
登録日2022-01-07
公開日2022-07-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献An acyl-adenylate mimic reveals the structural basis for substrate recognition by the iterative siderophore synthetase DesD.
J.Biol.Chem., 298, 2022
7PTJ
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BU of 7ptj by Molmil
C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to HEPES
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Choline sulfatase, ...
著者Gavira, J.A, Martinez-Rodriguez, S.
登録日2021-09-27
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural insights into choline-O-sulfatase reveal the molecular determinants for ligand binding.
Acta Crystallogr D Struct Biol, 78, 2022
8W1F
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BU of 8w1f by Molmil
Crystal Structure of DPS-like protein PA4880 from Pseudomonas aeruginosa (dodecamer, Mg bound)
分子名称: DPS-LIKE PROTEIN, FE (II) ION, MAGNESIUM ION, ...
著者Lovell, S, Liu, L, Seibold, S, Battaile, K.P, Rivera, M.
登録日2024-02-15
公開日2024-05-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Pseudomonas aeruginosa gene PA4880 encodes a Dps-like protein with a Dps fold, bacterioferritin-type ferroxidase centers, and endonuclease activity.
Front Mol Biosci, 11, 2024
7N91
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BU of 7n91 by Molmil
P70 S6K1 IN COMPLEX WITH MSC2317067A-1
分子名称: 4-{[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino}quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1
著者Mochalkin, I.
登録日2021-06-16
公開日2022-07-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
5E5B
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BU of 5e5b by Molmil
Crystal structure of Human Spt16 N-terminal domain
分子名称: FACT complex subunit SPT16
著者Marciano, G, Huang, D.T.
登録日2015-10-08
公開日2016-02-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure of the human histone chaperone FACT Spt16 N-terminal domain.
Acta Crystallogr.,Sect.F, 72, 2016
7N93
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P70 S6K1 IN COMPLEX WITH MSC2363318A-1
分子名称: 4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide, Ribosomal protein S6 kinase beta-1
著者Mochalkin, I.
登録日2021-06-16
公開日2022-07-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Identification of Clinical Candidate M2698, a Dual p70S6K and Akt Inhibitor, for Treatment of PAM Pathway-Altered Cancers.
J.Med.Chem., 64, 2021
7TQW
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BU of 7tqw by Molmil
Kod RSGA incorporating PMT, n+2
分子名称: DNA polymerase, Primer, Template
著者Hajjar, M, Chim, N, Chaput, J.C.
登録日2022-01-27
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Crystallographic analysis of engineered polymerases synthesizing phosphonomethylthreosyl nucleic acid.
Nucleic Acids Res., 50, 2022
7MZP
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BU of 7mzp by Molmil
Crystal structure of the UclD lectin-binding domain
分子名称: F17-like fimbril adhesin subunit UclD, IODIDE ION
著者Ve, T, Lo, A.W, Schembri, M.A, Kobe, B.
登録日2021-05-24
公開日2022-07-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Plos Pathog., 18, 2022
7PZU
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BU of 7pzu by Molmil
LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((3-fluoro-4-((4-(morpholinomethyl)phenyl)ethynyl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-10-13
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
6NEK
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BU of 6nek by Molmil
Crystal structure of a consensus PDZ domain
分子名称: 1,2-ETHANEDIOL, Consensus PDZ domain
著者Sun, Y.J, Gakhar, L, Fuentes, E.J.
登録日2018-12-17
公開日2019-12-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Consensus PDZ domain
To be published
7TZA
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BU of 7tza by Molmil
Structure of PQS Response Protein PqsE in complex with N-(4-(3-neopentylureido)phenyl)-1H-indazole-7-carboxamide
分子名称: 1,2-ETHANEDIOL, FE (III) ION, N-{4-[(2,2-dimethylpropyl)carbamamido]phenyl}-1H-indazole-7-carboxamide, ...
著者Jeffrey, P.D, Taylor, I.R, Bassler, B.L.
登録日2022-02-15
公開日2022-08-31
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The PqsE Active Site as a Target for Small Molecule Antimicrobial Agents against Pseudomonas aeruginosa.
Biochemistry, 61, 2022
5UX5
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BU of 5ux5 by Molmil
Structure of Proline Utilization A (PutA) from Corynebacterium freiburgense
分子名称: BIFUNCTIONAL PROTEIN Proline utilization A (PutA), FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Tanner, J.J.
登録日2017-02-22
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure and characterization of a class 3B proline utilization A: Ligand-induced dimerization and importance of the C-terminal domain for catalysis.
J. Biol. Chem., 292, 2017
8P9C
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BU of 8p9c by Molmil
Crystal structure of p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 F11
分子名称: 1,2-ETHANEDIOL, Darpin 1810 F11, Tumor protein 63, ...
著者Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-06-05
公開日2023-11-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.
Cell Death Dis, 14, 2023
7Q1X
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BU of 7q1x by Molmil
Acetyltrasferase(3) type IIIa in complex with neomycin B
分子名称: Aminoglycoside N(3)-acetyltransferase III, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Pontillo, N, Guskov, A.
登録日2021-10-21
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献The 3-N-alkylation of the neomycin B outmaneuvers the aminoglycoside resistant enzyme acetyltransferase(3)IIIa via an unexpected mechanism
To Be Published
8T85
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BU of 8t85 by Molmil
Structure of RssB bound to beryllofluoride
分子名称: BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Brugger, C, Schwartz, J, Deaconescu, A.M.
登録日2023-06-21
公開日2024-01-17
実験手法X-RAY DIFFRACTION (2.38 Å)
主引用文献Structure of phosphorylated-like RssB, the adaptor delivering sigma s to the ClpXP proteolytic machinery, reveals an interface switch for activation.
J.Biol.Chem., 299, 2023
6NEN
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BU of 6nen by Molmil
Catalytic domain of Proteus mirabilis ScsC
分子名称: Copper resistance protein
著者Kurth, F, Furlong, E.J, Premkumar, L, Martin, J.L.
登録日2018-12-17
公開日2019-03-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Engineered variants provide new insight into the structural properties important for activity of the highly dynamic, trimeric protein disulfide isomerase ScsC from Proteus mirabilis.
Acta Crystallogr D Struct Biol, 75, 2019
7Q3O
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BU of 7q3o by Molmil
Structure of CDX1 bound to hydroxymethylated DNA
分子名称: Homeobox protein CDX-1, hydroxymethylated DNA (18-MER)
著者Morgunova, E, Yin, Y, Popov, A, Taipale, J.
登録日2021-10-28
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Structure of CDX1 bound to hydroxymethylated DNA
To Be Published
5UXG
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BU of 5uxg by Molmil
Protein 84 with aldehyde deformylating oxygenase activity from Sulfolobus tokodaii (monoclinic)
分子名称: PHOSPHATE ION, aldehyde deformylating oxygenase
著者Wilson, D.K, Mak, W.S, Siegel, J.B.
登録日2017-02-22
公開日2018-02-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Protein 84 with aldehyde deformylating oxygenase activity from Sulfolobus tokodaii (monoclinic)
To Be Published
7MZS
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BU of 7mzs by Molmil
Crystal structure of the UcaD lectin-binding domain in complex with galactose
分子名称: CHLORIDE ION, Fimbrial adhesin UcaD, alpha-D-galactopyranose
著者Ve, T, Lo, A.W, Schembri, M.A, Kobe, B.
登録日2021-05-24
公開日2022-07-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Ucl fimbriae regulation and glycan receptor specificity contribute to gut colonisation by extra-intestinal pathogenic Escherichia coli.
Plos Pathog., 18, 2022
5DYL
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BU of 5dyl by Molmil
Crystal structure of the cGMP-dependent protein kinase PKG from Plasmodium Vivax - Apo form
分子名称: cGMP-dependent protein kinase, putative
著者Wernimont, A.K, Tempel, W, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
登録日2015-09-24
公開日2015-11-04
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structures of the cGMP-dependent protein kinase in malaria parasites reveal a unique structural relay mechanism for activation.
Proc.Natl.Acad.Sci.USA, 116, 2019
5UXO
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Type II DAH7PS from Pseudomonas aeruginosa
分子名称: ACETATE ION, CHLORIDE ION, COBALT (II) ION, ...
著者Sterritt, O.W, Jameson, G.B, Parker, E.J.
登録日2017-02-23
公開日2018-02-28
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献A Pseudoisostructural Type II DAH7PS Enzyme from Pseudomonas aeruginosa: Alternative Evolutionary Strategies to Control Shikimate Pathway Flux.
Biochemistry, 57, 2018
7Q01
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LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
分子名称: (2S,4S)-N-((3R,5R)-1-(cyclopropanecarbonyl)-5-((4-(((1R,2R)-2-(methoxymethyl)cyclopropyl)buta-1,3-diyn-1-yl)benzamido)methyl)pyrrolidin-3-yl)-4-fluoropyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION
著者Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M.
登録日2021-10-13
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria
To Be Published
8SDD
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BU of 8sdd by Molmil
Crystal structure of fluoroacetate dehalogenase Daro3835 H274N mutant with D107-glycolyl intermediate
分子名称: Alpha/beta hydrolase fold protein
著者Stogios, P.J, Skarina, T, Khusnutdinova, A, Iakounine, A, Savchenko, A.
登録日2023-04-06
公開日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insights into hydrolytic defluorination of difluoroacetate by microbial fluoroacetate dehalogenases.
Febs J., 290, 2023
8P9D
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BU of 8p9d by Molmil
Crystal structure of p63-p73 heterotetramer (tetramerisation domain) in complex with darpin 1810 A2
分子名称: Darpin 1810 A2, Tumor protein 63, Tumor protein p73
著者Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-06-05
公開日2023-11-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献DARPins detect the formation of hetero-tetramers of p63 and p73 in epithelial tissues and in squamous cell carcinoma.
Cell Death Dis, 14, 2023
8SSH
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BU of 8ssh by Molmil
MtrR from Neisseria gonorrhoeae bound to Ethinyl Estradiol
分子名称: Ethinyl estradiol, HTH-type transcriptional regulator MtrR, PHOSPHATE ION
著者Hooks, G.M, Brennan, R.G.
登録日2023-05-08
公開日2024-02-14
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Hormonal steroids induce multidrug resistance and stress response genes in Neisseria gonorrhoeae by binding to MtrR.
Nat Commun, 15, 2024

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件を2024-10-30に公開中

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