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8VIU
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BU of 8viu by Molmil
The DNA 16-mer sequence 5'-GCTGCGTTAACGCAGC-3' bound by a DB1992 stacked dimer
Descriptor: (2M)-2-[(5P)-5-(5-carbamimidoylthiophen-2-yl)furan-2-yl]-1H-benzimidazole-6-carboximidamide, CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*CP*GP*TP*TP*AP*AP*CP*GP*CP*AP*GP*C)-3')
Authors:Terrell, J.R, Wilson, W.D.
Deposit date:2024-01-05
Release date:2024-10-02
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural Examination of DNA Minor Groove Binding by Diamidine Stacked Dimers
To Be Published
8UTG
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BU of 8utg by Molmil
An RNA G-Quadruplex from the NS5 gene in the West Nile Virus Genome
Descriptor: AMMONIUM ION, POTASSIUM ION, RNA (5'-R(*UP*AP*UP*GP*GP*AP*AP*GP*AP*GP*GP*CP*GP*GP*UP*UP*GP*GP*UP*AP*U)-3')
Authors:Terrell, J.R, Le, T.T, Wilson, W.D, Siemer, J.L.
Deposit date:2023-10-31
Release date:2024-06-19
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of an RNA G-quadruplex from the West Nile virus genome.
Nat Commun, 15, 2024
8RPH
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BU of 8rph by Molmil
JanthE from Janthinobacterium sp. HH01,ketobutyryl-ThDP
Descriptor: (2~{S})-2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-1,3-thiazol-2-yl]-2-oxidanyl-butanoic acid, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M.
Deposit date:2024-01-16
Release date:2024-06-12
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Identification and Characterization of Thiamine Diphosphate-Dependent Lyases with an Unusual CDG Motif.
Angew.Chem.Int.Ed.Engl., 63, 2024
8T4N
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BU of 8t4n by Molmil
DB1976 Bound to the DNA Sequence 5'-CGCGAATTCGCG-3
Descriptor: (2M,2'M)-2,2'-(selenophene-2,5-diyl)di(1H-benzimidazole-6-carboximidamide), DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3')
Authors:Terrell, J.R, Poon, G.M.K, Wilson, W.D.
Deposit date:2023-06-09
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural studies on the PU.1 inhibitory mechanism by diamidine minor groove binders
To Be Published
8RPJ
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BU of 8rpj by Molmil
JanthE from Janthinobacterium sp. HH01
Descriptor: ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M.
Deposit date:2024-01-16
Release date:2024-06-12
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification and Characterization of Thiamine Diphosphate-Dependent Lyases with an Unusual CDG Motif.
Angew.Chem.Int.Ed.Engl., 63, 2024
8RPI
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BU of 8rpi by Molmil
JanthE from Janthinobacterium sp. HH01, lactyl-ThDP
Descriptor: 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Lanza, L, Leogrande, C, Rabe von Pappenheim, F, Tittmann, K, Mueller, M.
Deposit date:2024-01-16
Release date:2024-06-12
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Identification and Characterization of Thiamine Diphosphate-Dependent Lyases with an Unusual CDG Motif.
Angew.Chem.Int.Ed.Engl., 63, 2024
8F2Y
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BU of 8f2y by Molmil
Structure of an alternating AT dodecamer: 5'-CGCGATATCGCG-3
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-09
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8Q2E
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BU of 8q2e by Molmil
The 1.68-A X-ray crystal structure of Sporosarcina pasteurii urease inhibited by thiram and bound to dimethylditiocarbamate
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ...
Authors:Mazzei, L, Cianci, M, Ciurli, S.
Deposit date:2023-08-02
Release date:2023-11-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Kinetic and structural details of urease inactivation by thiuram disulphides.
J.Inorg.Biochem., 250, 2023
6NZ2
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BU of 6nz2 by Molmil
NMR solution structure of Bcd1p120-303 from Saccharomyces cerevisiae
Descriptor: Box C/D snoRNA protein 1
Authors:Bragantini, B, Quinternet, M, Charpentier, B, Manival, X.
Deposit date:2019-02-12
Release date:2020-08-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The box C/D snoRNP assembly factor Bcd1 interacts with the histone chaperone Rtt106 and controls its transcription dependent activity.
Nat Commun, 12, 2021
3DYA
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BU of 3dya by Molmil
HIV-1 RT with non-nucleoside inhibitor annulated Pyrazole 1
Descriptor: 3-[6-bromo-2-fluoro-3-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile, REVERSE TRANSCRIPTASE/RIBONUCLEASE H, p51 RT
Authors:Harris, S.F, Villasenor, A.
Deposit date:2008-07-25
Release date:2008-11-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
3E01
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BU of 3e01 by Molmil
HIV-RT with non-nucleoside inhibitor annulated pyrazole 2
Descriptor: 3-[2-bromo-4-(1H-pyrazolo[3,4-c]pyridazin-3-ylmethyl)phenoxy]-5-methylbenzonitrile, Gag-Pol polyprotein
Authors:Harris, S.F, Villasenor, A.
Deposit date:2008-07-30
Release date:2008-11-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Design of annulated pyrazoles as inhibitors of HIV-1 reverse transcriptase
J.Med.Chem., 51, 2008
8EC1
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BU of 8ec1 by Molmil
5'-CGCGAATTCGCG-3' and benzimidazole diamidine (DB1476) comlpex with ligand orientation I
Descriptor: 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
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-08-31
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8ED6
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BU of 8ed6 by Molmil
5'-CGCGAATTCGCG-3' and benzimidazole diamidine (DB1476) complex with ligand orientation II
Descriptor: 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
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-09-03
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.63 Å)
Cite: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
Descriptor: 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
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-09-03
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8F2W
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BU of 8f2w by Molmil
Structure of a B-Form Dodecamer: 5'-CGCGAATTCGCG-3
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-08
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8EDB
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BU of 8edb by Molmil
5'-CGCGAATTCGCG-3' and an AT-specific binder (DB1884) complex
Descriptor: 4,4'-(1H-indole-2,6-diyl)dibenzenecarboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-09-03
Release date:2023-02-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8F20
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BU of 8f20 by Molmil
Structure of an A-tract B-DNA Dodecamer: 5'-CGCAAAAAAGCG-3
Descriptor: 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')
Authors:Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-06
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8FDP
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BU of 8fdp by Molmil
The native structure of a dodecamer: 5'-CGCAAATTTGCG-3
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3')
Authors:Ogbonna, E, Wilson, W.D.
Deposit date:2022-12-04
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8F94
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BU of 8f94 by Molmil
Structure of an alternating AT 16-mer: 5'-GCTGGATATATCCAGC-3
Descriptor: CALCIUM ION, DNA 16-mer
Authors:Terrell, J.R, Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-23
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8FB4
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BU of 8fb4 by Molmil
Structure of an alternating AT 16-mer bound by diamidine DB1476: 5'-GCTGGATATATCCAGC-3
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*TP*AP*TP*AP*TP*CP*CP*AP*GP*C)-3')
Authors:Terrell, J.R, Ogbonna, E.N, Wilson, W.D.
Deposit date:2022-11-29
Release date:2023-02-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
8FDQ
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BU of 8fdq by Molmil
An AT-specific DNA 5-CGCAAATTTCGC-3' with benzimidazole (DB1476) complex
Descriptor: 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*TP*TP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogboona, E.N, Wilson, W.D.
Deposit date:2022-12-04
Release date:2023-02-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences.
Acs Bio Med Chem Au, 3, 2023
7KU4
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BU of 7ku4 by Molmil
DNA-DB818 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB818).
Descriptor: 1:(5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), 2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE, MAGNESIUM ION
Authors:Ogbonna, E, Fang, Z, Wilson, W.D.
Deposit date:2020-11-24
Release date:2021-12-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
7KWK
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BU of 7kwk by Molmil
DNA-DB1879 complex: The DNA sequence 5'-CGCGAATTCGCG-3' presents a binding site for the heterocyclic small molecule (DB1879).
Descriptor: 2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
Authors:Ogbonna, E, Fang, Z, Wilson, D.W.
Deposit date:2020-12-01
Release date:2021-12-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Drug design and DNA structural research inspired by the Neidle laboratory: DNA minor groove binding and transcription factor inhibition by thiophene diamidines.
Bioorg.Med.Chem., 68, 2022
6THL
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BU of 6thl by Molmil
Crystal structure of the complex between RTT106 and BCD1
Descriptor: Box C/D snoRNA protein 1, Rtt106p
Authors:Charron, C, Bragantini, B, Manival, X, Charpentier, B.
Deposit date:2019-11-20
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The box C/D snoRNP assembly factor Bcd1 interacts with the histone chaperone Rtt106 and controls its transcription dependent activity.
Nat Commun, 12, 2021
3LAL
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BU of 3lal by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with N1-ethyl pyrimidinedione non-nucleoside inhibitor
Descriptor: 3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile, HIV Reverse transcriptase, SULFATE ION
Authors:Lansdon, E.B, Mitchell, M.L.
Deposit date:2010-01-06
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 20, 2010

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PDB entries from 2024-10-30

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