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8D3G
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BU of 8d3g by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 6-chloroquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 6-chloroquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3O
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BU of 8d3o by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 8-methoxyquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 8-methoxyquinolin-4-amine, Apoptosis-inducing factor (AIF), ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3J
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BU of 8d3j by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 6-fluoro-2-methylquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 6-fluoro-2-methylquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3E
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BU of 8d3e by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 6-fluoroquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 6-fluoroquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3H
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BU of 8d3h by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 7-chloroquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 7-chloroquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3I
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BU of 8d3i by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with quinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, Apoptosis-inducing factor 1, mitochondrial, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3N
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BU of 8d3n by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 7-chloroquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 7-chloroquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3K
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BU of 8d3k by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 8-fluoro-2-methylquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 8-fluoro-2-methylquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
2SSP
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BU of 2ssp by Molmil
LEUCINE-272-ALANINE URACIL-DNA GLYCOSYLASE BOUND TO ABASIC SITE-CONTAINING DNA
Descriptor: DNA (5'-D(*AP*AP*AP*GP*AP*TP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*(AAB)P*AP*TP*CP*TP*T)-3'), PROTEIN (URACIL-DNA GLYCOSYLASE)
Authors:Parikh, S.S, Mol, C.D, Slupphaug, G, Bharati, S, Krokan, H.E, Tainer, J.A.
Deposit date:1999-04-28
Release date:1999-05-06
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Base excision repair initiation revealed by crystal structures and binding kinetics of human uracil-DNA glycosylase with DNA.
EMBO J., 17, 1998
5KVH
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BU of 5kvh by Molmil
Crystal structure of human apoptosis-inducing factor with W196A mutation
Descriptor: Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A.
Deposit date:2016-07-14
Release date:2016-11-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.273 Å)
Cite:Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor.
Structure, 24, 2016
5KVI
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BU of 5kvi by Molmil
Crystal structure of monomeric human apoptosis-inducing factor with E413A/R422A/R430A mutations
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Apoptosis-inducing factor 1, mitochondrial, ...
Authors:Brosey, C.A, Nix, J, Ellenberger, T, Tainer, J.A.
Deposit date:2016-07-14
Release date:2016-11-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Defining NADH-Driven Allostery Regulating Apoptosis-Inducing Factor.
Structure, 24, 2016
2ABK
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BU of 2abk by Molmil
REFINEMENT OF THE NATIVE STRUCTURE OF ENDONUCLEASE III TO A RESOLUTION OF 1.85 ANGSTROM
Descriptor: ENDONUCLEASE III, IRON/SULFUR CLUSTER
Authors:Thayer, M.M, Tainer, J.A.
Deposit date:1995-05-11
Release date:1995-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel DNA binding motifs in the DNA repair enzyme endonuclease III crystal structure.
EMBO J., 14, 1995
1QOM
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BU of 1qom by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH SWAPPED N-TERMINAL HOOK
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Crane, B.R, Rosenfeld, R.A, Arvai, A.S, Tainer, J.A, Stuehr, D.J, Getzoff, E.D.
Deposit date:1999-11-15
Release date:1999-12-15
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:N-Terminal Domain Swapping and Metal Ion Binding in Nitric Oxide Synthase Dimerization
Embo J., 18, 1999
1DWV
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BU of 1dwv by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and 4-amino tetrahydrobiopterin
Descriptor: 2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ...
Authors:Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A.
Deposit date:1999-12-14
Release date:2000-02-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
1DWX
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BU of 1dwx by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and tetrahydrobiopterin
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ...
Authors:Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A.
Deposit date:1999-12-14
Release date:2000-02-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
2AV8
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BU of 2av8 by Molmil
Y122F MUTANT OF RIBONUCLEOTIDE REDUCTASE FROM ESCHERICHIA COLI
Descriptor: FE (II) ION, MU-OXO-DIIRON, RIBONUCLEOTIDE REDUCTASE R2
Authors:Han, S, Arvai, A, Tainer, J.A.
Deposit date:1997-09-30
Release date:1998-10-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Characterization of Y122F R2 of Escherichia coli ribonucleotide reductase by time-resolved physical biochemical methods and X-ray crystallography.
Biochemistry, 37, 1998
1DWW
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BU of 1dww by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and dihydrobiopterin
Descriptor: 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ...
Authors:Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A.
Deposit date:1999-12-14
Release date:2000-02-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
2FC0
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BU of 2fc0 by Molmil
WRN exonuclease, Mn dGMP complex
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, MANGANESE (II) ION, Werner syndrome helicase
Authors:Perry, J.J, Tainer, J.A.
Deposit date:2005-12-10
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:WRN exonuclease structure and molecular mechanism imply an editing role in DNA end processing.
Nat.Struct.Mol.Biol., 13, 2006
4PPE
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BU of 4ppe by Molmil
human RNF4 RING domain
Descriptor: E3 ubiquitin-protein ligase RNF4, ZINC ION
Authors:Perry, J.J, Arvai, A.S, Hitomi, C, Tainer, J.A.
Deposit date:2014-02-26
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:RNF4 interacts with both SUMO and nucleosomes to promote the DNA damage response.
Embo Rep., 15, 2014
6VBH
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BU of 6vbh by Molmil
Human XPG endonuclease catalytic domain
Descriptor: DNA repair protein complementing XP-G cells,Flap endonuclease 1, SULFATE ION
Authors:Tsutakawa, S.E, Arvai, A.S, Tainer, J.A.
Deposit date:2019-12-18
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:Human XPG nuclease structure, assembly, and activities with insights for neurodegeneration and cancer from pathogenic mutations.
Proc.Natl.Acad.Sci.USA, 117, 2020
6VBA
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BU of 6vba by Molmil
Structure of human Uracil DNA Glycosylase (UDG) bound to Aurintricarboxylic acid (ATA)
Descriptor: 3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid), Uracil-DNA glycosylase
Authors:Moiani, D, Arvai, A.S, Tainer, J.A.
Deposit date:2019-12-18
Release date:2021-03-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An effective human uracil-DNA glycosylase inhibitor targets the open pre-catalytic active site conformation.
Prog.Biophys.Mol.Biol., 163, 2021
4P94
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BU of 4p94 by Molmil
The crystal structure of the soluble domain of Sulfolobus acidocaldarius FlaF (residues 35-164)
Descriptor: Conserved flagellar protein F, SODIUM ION
Authors:Tsai, C.-L, Arvai, A.S, Ishida, J.P, Tainer, J.A.
Deposit date:2014-04-02
Release date:2015-04-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:FlaF Is a beta-Sandwich Protein that Anchors the Archaellum in the Archaeal Cell Envelope by Binding the S-Layer Protein.
Structure, 23, 2015
6WH1
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BU of 6wh1 by Molmil
Structure of the complex of human DNA ligase III-alpha and XRCC1 BRCT domains
Descriptor: DNA ligase 3 alpha, X-ray repair cross complementing protein 1 variant
Authors:Pourfarjam, Y, Ellenberger, T, Tainer, J.A, Tomkinson, A.E, Kim, I.K.
Deposit date:2020-04-07
Release date:2020-12-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An atypical BRCT-BRCT interaction with the XRCC1 scaffold protein compacts human DNA Ligase III alpha within a flexible DNA repair complex.
Nucleic Acids Res., 49, 2021
6WH2
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BU of 6wh2 by Molmil
Structure of the C-terminal BRCT domain of human XRCC1
Descriptor: X-ray repair cross complementing protein 1 variant
Authors:Pourfarjam, Y, Ellenberger, T, Tainer, J.A, Tomkinson, A.E, Kim, I.K.
Deposit date:2020-04-07
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.414 Å)
Cite:An atypical BRCT-BRCT interaction with the XRCC1 scaffold protein compacts human DNA Ligase III alpha within a flexible DNA repair complex.
Nucleic Acids Res., 49, 2021
6X1Z
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BU of 6x1z by Molmil
Mre11 dimer in complex with small molecule modulator PFMJ
Descriptor: (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Arvai, A.S, Moiani, D, Tainer, J.A.
Deposit date:2020-05-19
Release date:2020-06-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment- and structure-based drug discovery for developing therapeutic agents targeting the DNA Damage Response.
Prog.Biophys.Mol.Biol., 163, 2021

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PDB entries from 2024-08-21

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