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7NCE
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BU of 7nce by Molmil
Glutathione-S-transferase GliG mutant N27A
分子名称: 1,2-ETHANEDIOL, Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-28
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
7NCN
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BU of 7ncn by Molmil
Glutathione-S-transferase GliG mutant S83A
分子名称: 1,2-ETHANEDIOL, Glutathione S-transferase GliG
著者Groll, M, Huber, E.M.
登録日2021-01-29
公開日2021-05-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
4WJ7
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BU of 4wj7 by Molmil
CCM2 PTB domain in complex with KRIT1 NPxY/F3
分子名称: KRIT1 NPxY/F3, Malcavernin
著者Fisher, O.S, Liu, W, Zhang, R, Stiegler, A.L, Boggon, T.J.
登録日2014-09-29
公開日2014-12-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.753 Å)
主引用文献Structural Basis for the Disruption of the Cerebral Cavernous Malformations 2 (CCM2) Interaction with Krev Interaction Trapped 1 (KRIT1) by Disease-associated Mutations.
J.Biol.Chem., 290, 2015
7NLN
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BU of 7nln by Molmil
Crystal structure of Mycobacterium tuberculosis ArgB in complex with N-acetyl-glutamate
分子名称: 1,2-ETHANEDIOL, Acetylglutamate kinase, N-ACETYL-L-GLUTAMATE
著者Mendes, V, Thomas, S.E, Cory-Wright, J, Blundell, T.L.
登録日2021-02-22
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A fragment-based approach to assess the ligandability of ArgB, ArgC, ArgD and ArgF in the L-arginine biosynthetic pathway of Mycobacterium tuberculosis
Comput Struct Biotechnol J, 19, 2021
145D
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BU of 145d by Molmil
Structure and thermodynamics of nonalternating C/G base pairs in Z-DNA: the 1.3 angstroms crystal structure of the asymmetric hexanucleotide D(M(5)CGGGM(5) CG)/D(M(5)CGCCM(5)CG)
分子名称: DNA (5'-D(*(5CM)P*DGP*DGP*DGP*(5CM)P*DG)-3'), DNA (5'-D(*(MCY)P*GP*CP*CP*(5CM)P*G)-3'), DNA (5'-D(*(MCY)P*GP*GP*GP*(5CM)P*G)-3')
著者Schroth, G.P, Kagawa, T.F, Shing Ho, P.
登録日1993-11-11
公開日1994-01-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structure and thermodynamics of nonalternating C.G base pairs in Z-DNA: the 1.3-A crystal structure of the asymmetric hexanucleotide d(m5CGGGm5CG).d(m5CGCCm5CG).
Biochemistry, 32, 1993
7NQG
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BU of 7nqg by Molmil
The structure of the SBP TarP_Rhp in complex with 4-hydroxyphenylacetate
分子名称: 1,2-ETHANEDIOL, 4-HYDROXYPHENYLACETATE, PHOSPHATE ION, ...
著者Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J.
登録日2021-03-01
公開日2021-10-06
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
4WTW
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BU of 4wtw by Molmil
Crystal structure of the third FnIII domain of integrin beta4
分子名称: 1,2-ETHANEDIOL, Integrin beta-4, PENTAETHYLENE GLYCOL, ...
著者Alonso-Garcia, N, Urien, H, de Pereda, J.M.
登録日2014-10-30
公開日2015-02-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.606 Å)
主引用文献Combination of X-ray crystallography, SAXS and DEER to obtain the structure of the FnIII-3,4 domains of integrin alpha6beta4
Acta Crystallogr.,Sect.D, 71, 2015
6NZX
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BU of 6nzx by Molmil
Hadesarchaea YNP_N21 cytochrome b5 domain protein (KUO41884.1)
分子名称: Cytochrome B5, PROTOPORPHYRIN IX CONTAINING FE
著者Teakel, S.L, Marama, M.S, Aragao, D, Forwood, J.K, Cahill, M.A.
登録日2019-02-14
公開日2019-03-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Hadesarchaea YNP_N21 cytochrome b5 domain protein (KUO41884.1)
To Be Published
4WWK
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BU of 4wwk by Molmil
Crystal structure of human TCR Alpha Chain-TRAV12-3, Beta Chain-TRBV6-5, Antigen-presenting molecule CD1d, and Beta-2-microglobulin
分子名称: (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ...
著者Le Nours, J, Praveena, T, Pellicci, D.G, Gherardin, N.A, Lim, R.T, Besra, G, Keshipeddy, A, Richardson, S.K, Howell, A.R, Gras, S, Godfrey, D.I, Rossjohn, J, Uldrich, A.P.
登録日2014-11-11
公開日2016-02-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens.
Nat Commun, 7, 2016
7UNJ
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BU of 7unj by Molmil
De novo designed chlorophyll dimer protein with Zn pheophorbide a methyl ester matching geometry of purple bacterial special pair, SP1-ZnPPaM
分子名称: 1,2-ETHANEDIOL, SP1-ZnPPaM designed chlorophyll dimer protein, SULFATE ION, ...
著者Kennedy, M.A, Stoddard, B.L, Ennist, N.M.
登録日2022-04-11
公開日2023-04-19
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献De novo design of proteins housing excitonically coupled chlorophyll special pairs.
Nat.Chem.Biol., 2024
8I43
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BU of 8i43 by Molmil
Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues
分子名称: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-C-3GC-uucg
著者Ichijo, R, Kamimura, T, Kawai, G.
登録日2023-01-18
公開日2023-03-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10, 2023
8I44
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BU of 8i44 by Molmil
Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues
分子名称: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-C-3AU-uucg
著者Ichijo, R, Kamimura, T, Kawai, G.
登録日2023-01-18
公開日2023-03-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10, 2023
8I45
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BU of 8i45 by Molmil
Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues
分子名称: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-G-3GC-uucg
著者Ichijo, R, Kamimura, T, Kawai, G.
登録日2023-01-18
公開日2023-03-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10, 2023
8I46
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BU of 8i46 by Molmil
Interaction between a fluoroquinolone derivative KG022 and RNAs: effect of base pairs 3' adjacent to the bulge out residues
分子名称: 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide, RNA-G-3AU-uucg
著者Ichijo, R, Kamimura, T, Kawai, G.
登録日2023-01-18
公開日2023-03-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Interaction between a fluoroquinolone derivative KG022 and RNAs: Effect of base pairs 3' adjacent to the bulged residues.
Front Mol Biosci, 10, 2023
3IZD
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BU of 3izd by Molmil
Model of the large subunit RNA expansion segment ES27L-out based on a 6.1 A cryo-EM map of Saccharomyces cerevisiae translating 80S ribosome. 3IZD is a small part (an expansion segment) which is in an alternative conformation to what is in already 3IZF.
分子名称: rRNA expansion segment ES27L in an "out" conformation
著者Armache, J.-P, Jarasch, A, Anger, A.M, Villa, E, Becker, T, Bhushan, S, Jossinet, F, Habeck, M, Dindar, G, Franckenberg, S, Marquez, V, Mielke, T, Thomm, M, Berninghausen, O, Beatrix, B, Soeding, J, Westhof, E, Wilson, D.N, Beckmann, R.
登録日2010-10-13
公開日2010-12-01
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (8.6 Å)
主引用文献Cryo-EM structure and rRNA model of a translating eukaryotic 80S ribosome at 5.5-A resolution.
Proc.Natl.Acad.Sci.USA, 107, 2010
6IFD
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BU of 6ifd by Molmil
Crystal Structure of CMP-N-acetylneuraminate Synthetase from Vibrio cholerae in complex with CDP and Mg2+.
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CMP-N-acetylneuraminate Synthetase, ...
著者Bose, S, Subramanian, R.
登録日2018-09-19
公開日2019-07-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional characterization of CMP-N-acetylneuraminate synthetase from Vibrio cholerae.
Acta Crystallogr D Struct Biol, 75, 2019
7PQI
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BU of 7pqi by Molmil
Acinetobacter baumannii DNA gyrase B 23kDa ATPase subdomain complexed with novobiocin
分子名称: 1,2-ETHANEDIOL, DNA gyrase subunit B, NOVOBIOCIN
著者Cotman, A.E, Zega, A, Zidar, N, Ilas, J, Tomasic, T, Masic, L.P, Mundy, J.E.A, Stevenson, C.E.M, Burton, N, Lawson, D.M, Maxwell, A, Kikelj, D.
登録日2021-09-17
公開日2022-09-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 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
8F1S
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BU of 8f1s by Molmil
A benzimidazole (DB1476) sequence-specific recognition of 5'-CGCAAAAAAGCG-3' in A-orientation
分子名称: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*TP*TP*TP*TP*GP*CP*G)-3'), ...
著者Ogbonna, E.N, Wilson, W.D.
登録日2022-11-06
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8F1V
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A benzimidazole (DB1476) sequence-specific recognition of 5'-CGCAAAAAAGCG-3' in B-orientation
分子名称: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*TP*TP*TP*TP*GP*CP*G)-3'), ...
著者Ogbonna, E.N, Wilson, W.D.
登録日2022-11-06
公開日2023-02-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
1C9Z
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BU of 1c9z by Molmil
D232-CGTACG
分子名称: 1,3-DI[[[10-METHOXY-7H-PYRIDO[4,3-C]CARBAZOL-2-IUMYL]-ETHYL]-PIPERIDIN-4-YL]-PROPANE, 5'-D(*CP*GP*TP*AP*CP*G)-3'
著者Williams, L.D.
登録日1999-08-03
公開日2000-04-02
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Effects of cationic charge on three-dimensional structures of intercalative complexes: structure of a bis-intercalated DNA complex solved by MAD phasing.
Curr.Med.Chem., 7, 2000
7MLO
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BU of 7mlo by Molmil
Crystal structure of ricin A chain in complex with 5-mesitylthiophene-2-carboxylic acid
分子名称: 1,2-ETHANEDIOL, 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid, Ricin, ...
著者Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L.
登録日2021-04-28
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 64, 2021
7MOI
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BU of 7moi by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in complex with Phenyl Phosphate
分子名称: PHENYL DIHYDROGEN PHOSPHATE, Tyrosine-protein phosphatase DSP1
著者Wang, H, Shears, S.B.
登録日2021-05-01
公開日2022-03-02
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
7MOD
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BU of 7mod by Molmil
Crystal Structure of Arabidopsis thaliana Plant and Fungi Atypical Dual Specificity Phosphatase 1(AtPFA-DSP1 ) Cys150Ser in Complex with Phosphate in Conformation A (Pi(A))
分子名称: PHOSPHATE ION, Tyrosine-protein phosphatase DSP1
著者Wang, H, Shears, S.B.
登録日2021-05-01
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A structural expose of noncanonical molecular reactivity within the protein tyrosine phosphatase WPD loop.
Nat Commun, 13, 2022
6NAV
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BU of 6nav by Molmil
Cryo-EM reconstruction of Sulfolobus islandicus LAL14/1 Pilus
分子名称: M9UD72
著者Wang, F, Cvirkaite-Krupovic, V, Prangishvili, D, Krupovic, M, Egelman, E.H.
登録日2018-12-06
公開日2019-05-08
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献An extensively glycosylated archaeal pilus survives extreme conditions.
Nat Microbiol, 4, 2019
4WD1
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BU of 4wd1 by Molmil
Acetoacetyl-CoA Synthetase from Streptomyces lividans
分子名称: 1,2-ETHANEDIOL, Acetoacetate-CoA ligase, CALCIUM ION
著者Gulick, A.M, Mitchell, C.A.
登録日2014-09-05
公開日2015-01-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献The structure of S. lividans acetoacetyl-CoA synthetase shows a novel interaction between the C-terminal extension and the N-terminal domain.
Proteins, 83, 2015

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