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6JR8
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BU of 6jr8 by Molmil
Flavobacterium johnsoniae GH31 dextranase, FjDex31A, mutant D412A complexed with isomaltotriose
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, Candidate alpha-glycosidase Glycoside hydrolase family 31, ...
著者Tonozuka, T.
登録日2019-04-02
公開日2019-04-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into polysaccharide recognition by Flavobacterium johnsoniae dextranase, a member of glycoside hydrolase family 31.
Febs J., 287, 2020
6K05
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BU of 6k05 by Molmil
Crystal structure of BRD2(BD1)with ligand BY27 bound
分子名称: (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2
著者Lu, T, Lu, W, Chen, D, Zhao, Y, Luo, C.
登録日2019-05-05
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.935 Å)
主引用文献Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins.
Eur.J.Med.Chem., 182, 2019
1O9M
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BU of 1o9m by Molmil
The Complex of a novel antibiotic with the Aminoacyl Site of the Bacterial Ribosome Revealed by X-Ray Crystallography.
分子名称: 1-(AMINOETHYL)AMINO-4-AMINOBUTANE, 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose, 4-AMINO-2-HYDROXYBUTANOIC ACID, ...
著者Russell, R, Murray, J.B.
登録日2002-12-17
公開日2003-03-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Complex of a Designer Antibiotic with a Model Aminoacyl Site of the 30S Ribosomal Subunit Revealed by X-Ray Crystallography
J.Am.Chem.Soc., 125, 2003
6J8G
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BU of 6j8g by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 up)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ...
著者Shen, H, Liu, D, Lei, J, Yan, N.
登録日2019-01-19
公開日2019-02-27
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
6CUF
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Cryo-EM structure at 4.2 A resolution of vaccine-elicited antibody vFP1.01 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
著者Acharya, P, Carragher, B, Potter, C.S, Kwong, P.D.
登録日2018-03-26
公開日2018-07-25
最終更新日2024-12-25
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Complete functional mapping of infection- and vaccine-elicited antibodies against the fusion peptide of HIV.
PLoS Pathog., 14, 2018
6J8H
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BU of 6j8h by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 down)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sodium channel protein type 9 subunit alpha, ...
著者Shen, H, Liu, D, Lei, J, Yan, N.
登録日2019-01-19
公開日2019-02-27
最終更新日2025-07-02
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
6CUE
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BU of 6cue by Molmil
Cryo-EM structure at 4.0 A resolution of vaccine-elicited antibody vFP7.04 in complex with HIV-1 Env BG505 DS-SOSIP, and antibodies VRC03 and PGT122
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
著者Acharya, P, Carragher, B, Potter, C.S, Kwong, P.D.
登録日2018-03-26
公開日2018-07-11
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Complete functional mapping of infection- and vaccine-elicited antibodies against the fusion peptide of HIV.
PLoS Pathog., 14, 2018
6J8J
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BU of 6j8j by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, ProTx-II and tetrodotoxin (Y1755 down)
分子名称: (1R,5R,6R,7R,9S,11S,12S,13S,14S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Shen, H, Liu, D, Lei, J, Yan, N.
登録日2019-01-19
公開日2019-02-27
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
8ED6
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5'-CGCGAATTCGCG-3' and benzimidazole diamidine (DB1476) complex with ligand orientation II
分子名称: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Ogbonna, E.N, Wilson, W.D.
登録日2022-09-03
公開日2023-02-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.63 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
8EDA
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BU of 8eda by Molmil
An alternating AT dodecamer benzimidazole (DB1476) complex
分子名称: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Ogbonna, E.N, Wilson, W.D.
登録日2022-09-03
公開日2023-02-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.63 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
6IYC
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BU of 6iyc by Molmil
Recognition of the Amyloid Precursor Protein by Human gamma-secretase
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhou, R, Yang, G, Guo, X, Zhou, Q, Lei, J, Shi, Y.
登録日2018-12-14
公開日2019-01-23
最終更新日2025-09-17
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Recognition of the amyloid precursor protein by human gamma-secretase.
Science, 363, 2019
6DDD
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BU of 6ddd by Molmil
Structure of the 50S ribosomal subunit from Methicillin Resistant Staphylococcus aureus in complex with the oxazolidinone antibiotic LZD-5
分子名称: 2,2-dichloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide, 23S rRNA, 50S ribosomal protein L13, ...
著者Belousoff, M.J, Venugopal, H, Bamert, R.S, Lithgow, T.
登録日2018-05-10
公開日2019-03-20
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献cryoEM-Guided Development of Antibiotics for Drug-Resistant Bacteria.
ChemMedChem, 14, 2019
5WSQ
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BU of 5wsq by Molmil
Crystal structure of C-Hg-T pair containing DNA duplex
分子名称: 1,3-PROPANDIOL, DNA (5'-D(*GP*CP*CP*CP*GP*TP*GP*C)-3'), MERCURY (II) ION
著者Gan, J.H, Liu, H.H.
登録日2016-12-08
公開日2017-02-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex
Nucleic Acids Res., 45, 2017
102D
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BU of 102d by Molmil
SEQUENCE-DEPENDENT DRUG BINDING TO THE MINOR GROOVE OF DNA: THE CRYSTAL STRUCTURE OF THE DNA DODECAMER D(CGCAAATTTGCG)2 COMPLEXED WITH PROPAMIDINE
分子名称: 1,3-BIS(AMIDINOPHENOXY)PROPANE, DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
著者Nunn, C.M, Neidle, S.
登録日1994-12-15
公開日1995-02-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Sequence-dependent drug binding to the minor groove of DNA: crystal structure of the DNA dodecamer d(CGCAAATTTGCG)2 complexed with propamidine.
J.Med.Chem., 38, 1995
166D
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BU of 166d by Molmil
DRUG-DNA MINOR GROOVE RECOGNITION: CRYSTAL STRUCTURE OF GAMMA-OXAPENTAMIDINE COMPLEXED WITH D(CGCGAATTCGCG)2
分子名称: 1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTANE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Nunn, C.M, Jenkins, T.C, Neidle, S.
登録日1994-03-17
公開日1994-10-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of gamma-oxapentamidine complexed with d(CGCGAATTCGCG)2. The effects of drug structural change on DNA minor-groove recognition.
Eur.J.Biochem., 226, 1994
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
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
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
4XED
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BU of 4xed by Molmil
PKD domain of M14-like peptidase from Thermoplasmatales archaeon SCGC AB-540-F20
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Peptidase M14, ...
著者Michalska, K, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-12-23
公開日2015-05-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献PKD domain of M14-like peptidase from Thermoplasmatales archaeon SCGC AB-540-F20
To Be Published
4W6U
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BU of 4w6u by Molmil
Crystal Structure of Full-Length Split GFP Mutant E115H/T118H With Nickel Mediated Crystal Contacts, P 21 21 21 Space Group
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, NICKEL (II) ION, ...
著者Leibly, D.J, Waldo, G.S, Yeates, T.O.
登録日2014-08-20
公開日2015-02-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
4W6T
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BU of 4w6t by Molmil
Crystal Structure of Full-Length Split GFP Mutant E115H/T118H With Copper Mediated Crystal Contacts, P 43 21 2 Space Group
分子名称: 1,2-ETHANEDIOL, BROMIDE ION, COPPER (II) ION, ...
著者Leibly, D.J, Waldo, G.S, Yeates, T.O.
登録日2014-08-20
公開日2015-02-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
447D
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BU of 447d by Molmil
5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'
分子名称: 2'-(4-DIMETHYLAMINOPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
著者Squire, C.J, Baker, L.J, Clark, G.R, Martin, R.F, White, J.
登録日1999-01-18
公開日2000-03-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structures of m-iodo Hoechst-DNA complexes in crystals with reduced solvent content: implications for minor groove binder drug design.
Nucleic Acids Res., 28, 2000
7OCJ
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BU of 7ocj by Molmil
Crystal structure of E.coli LexA in complex with nanobody NbSOS2(Nb14509)
分子名称: 1,2-ETHANEDIOL, LexA repressor, NbSOS2 (14509)
著者Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L.
登録日2021-04-27
公開日2022-10-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
8F1S
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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

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