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5TWS
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BU of 5tws by Molmil
Post-catalytic complex of human Polymerase Mu (H329A) with newly incorporated UTP
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2016-11-14
Release date:2017-07-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural accommodation of ribonucleotide incorporation by the DNA repair enzyme polymerase Mu.
Nucleic Acids Res., 45, 2017
5TXQ
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BU of 5txq by Molmil
Crystal structure of the A143D variant of catalase-peroxidase from B. pseudomallei
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Catalase-peroxidase, OXYGEN MOLECULE, ...
Authors:Loewen, P.C.
Deposit date:2016-11-17
Release date:2017-04-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine.
Biochemistry, 56, 2017
5TYF
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BU of 5tyf by Molmil
DNA Polymerase Mu Product Complex, 10 mM Mg2+ (270 min)
Descriptor: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Jamsen, J.A, Wilson, S.H.
Deposit date:2016-11-19
Release date:2017-08-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.971 Å)
Cite:Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
4R4J
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BU of 4r4j by Molmil
Crystal structure of complex sp_ASADH with 3-carboxypropyl-phthalic acid and Nicotinamide Adenine dinucleotide phosphate
Descriptor: 1,2-ETHANEDIOL, 3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid, Aspartate-semialdehyde dehydrogenase, ...
Authors:Pavlovsky, A.G, Thangavelu, B, Bhansali, P, Viola, R.E.
Deposit date:2014-08-19
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
8UQ9
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BU of 8uq9 by Molmil
Crystal structure of RNF168 (RING)-UbcH5c fused to H2A-H2B via a 4-residue linker
Descriptor: CHLORIDE ION, E3 ubiquitin-protein ligase RNF168,Ubiquitin-conjugating enzyme E2 D3,Histone H2B type 2-E,Histone H2A type 1-B/E, GLYCEROL, ...
Authors:Hu, Q, Botuyan, M.V, Mer, G.
Deposit date:2023-10-23
Release date:2024-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanisms of RNF168 nucleosome recognition and ubiquitylation.
Mol.Cell, 84, 2024
4RBM
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BU of 4rbm by Molmil
Porphyromonas gingivalis gingipain K (Kgp) catalytic and immunoglobulin superfamily-like domains
Descriptor: (3S)-3,7-diaminoheptan-2-one, ACETATE ION, AZIDE ION, ...
Authors:de Diego, I, Veillard, F, Sztukowska, M.N, Guevara, T, Potempa, B, Pomowski, A, Huntington, J.A, Potempa, J, Gomis-Ruth, F.X.
Deposit date:2014-09-12
Release date:2014-10-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and Mechanism of Cysteine Peptidase Gingipain K (Kgp), a Major Virulence Factor of Porphyromonas gingivalis in Periodontitis.
J.Biol.Chem., 289, 2014
5U24
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BU of 5u24 by Molmil
X-ray structure of the WlaRG aminotransferase from campylobacter jejuni, K184A mutant in complex with TDP-Fuc3N
Descriptor: (2R,3R,4S,5R,6R)-3,5-dihydroxy-4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Holden, H.M, Thoden, J.B, Dow, G.T, Gilbert, M.
Deposit date:2016-11-29
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase.
Protein Sci., 26, 2017
3S7X
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BU of 3s7x by Molmil
Unassembled Washington University Polyomavirus VP1 Pentamer R198K Mutant
Descriptor: CHLORIDE ION, GLYCEROL, Major capsid protein VP1, ...
Authors:Neu, U, Wang, J, Stehle, T.
Deposit date:2011-05-27
Release date:2011-06-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of the major capsid proteins of the human KI and WU polyomaviruses.
J.Virol., 85, 2011
6Y77
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BU of 6y77 by Molmil
Pseudomonas stutzeri nitrous oxide reductase mutant, H326A
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DINUCLEAR COPPER ION, FORMIC ACID, ...
Authors:Zhang, L, Kroneck, P.M.H, Einsle, O.
Deposit date:2020-02-28
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase.
Chem Sci, 12, 2021
7NGE
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BU of 7nge by Molmil
Crystal structure of L-Trp/Indoleamine 2,3-dioxygenagse 1 (hIDO1) complex with the JK-loop refined in the closed conformation
Descriptor: CHLORIDE ION, GLYCEROL, Indoleamine 2,3-dioxygenase 1, ...
Authors:Mirgaux, M, Wouters, J.
Deposit date:2021-02-09
Release date:2021-12-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Temporary Intermediates of L-Trp Along the Reaction Pathway of Human Indoleamine 2,3-Dioxygenase 1 and Identification of an Exo Site.
Int J Tryptophan Res, 14, 2021
5U21
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BU of 5u21 by Molmil
X-ray structure of the WlaRF aminotransferase from Campylobacter jejuni, K184A mutant in complex with TDP-Qui3N
Descriptor: (2R,3R,4S,5S,6R)-3,5-dihydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Thoden, J.B, Holden, H.M, Dow, G.T, Gilbert, M.
Deposit date:2016-11-29
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase.
Protein Sci., 26, 2017
5TPI
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BU of 5tpi by Molmil
1.47 Angstrom Crystal Structure of the C-terminal Substrate Binding Domain of LysR Family Transcriptional Regulator from Klebsiella pneumoniae.
Descriptor: CHLORIDE ION, Putative transcriptional regulator (LysR family), SODIUM ION
Authors:Minasov, G, Wawrzak, Z, Sandoval, J, Evdokimova, E, Grimshaw, S, Kwon, K, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2016-10-20
Release date:2016-11-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:1.47 Angstrom Crystal Structure of the C-terminal Substrate Binding Domain of LysR Family Transcriptional Regulator from Klebsiella pneumoniae.
To Be Published
7ICL
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BU of 7icl by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF MNCL2 (0.1 MILLIMOLAR)
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-19
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta.
Biochemistry, 35, 1996
7ICV
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BU of 7icv by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF MNCL2 (0.1 MILLIMOLAR) AND IN THE ABSENCE OF NACL
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-10-24
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta.
Biochemistry, 35, 1996
5TEQ
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BU of 5teq by Molmil
C20S C293G MUTANT N-TERMINAL HUMAN ATP CITRATE LYASE BOUND TO CITRATE
Descriptor: ATP-citrate synthase, CITRATE ANION, PHOSPHATE ION, ...
Authors:Hu, J, Fraser, M.E.
Deposit date:2016-09-22
Release date:2017-08-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Binding of hydroxycitrate to human ATP-citrate lyase.
Acta Crystallogr D Struct Biol, 73, 2017
4RDS
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BU of 4rds by Molmil
Lysozyme crystallized with red food coloring dye
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
Authors:Irimpan, E.M, Mathews, I.I.
Deposit date:2014-09-19
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Lysozyme crystallized with red food coloring dye.
To be Published
7ICG
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BU of 7icg by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF CDCL2
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-19
Release date:1996-04-19
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
5SYK
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BU of 5syk by Molmil
Crystal structure of B. pseudomallei KatG treated with hydrogen peroxide
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Loewen, P.C.
Deposit date:2016-08-11
Release date:2016-09-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An ionizable active-site tryptophan imparts catalase activity to a peroxidase core.
J. Am. Chem. Soc., 136, 2014
7ICK
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BU of 7ick by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF MGCL2
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-19
Release date:1996-04-19
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
7ICQ
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BU of 7icq by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF ZNCL2
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-19
Release date:1996-04-19
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
7ICU
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BU of 7icu by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF CDCL2 (0.1 MILLIMOLAR)
Descriptor: CADMIUM ION, DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-19
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta.
Biochemistry, 35, 1996
5SXW
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BU of 5sxw by Molmil
Crystal structure of the E198A variant of catalase-peroxidase KatG of Burkholderia pseudomallei
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-10
Release date:2016-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Isonicotinic acid hydrazide conversion to Isonicotinyl-NAD by catalase-peroxidases.
J. Biol. Chem., 285, 2010
5SYV
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BU of 5syv by Molmil
Crystal structure of Burkholderia pseudomallei KatG N240D variant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-12
Release date:2016-09-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine.
Biochemistry, 56, 2017
7ICT
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BU of 7ict by Molmil
DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX, SOAKED IN THE PRESENCE OF ZNCL2 AND MGCL2
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-19
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996
7ICI
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BU of 7ici by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF CRCL3 (0.1 MILLIMOLAR)
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*GP*T)-3'), PROTEIN (DNA POLYMERASE BETA (E.C.2.7.7.7)), ...
Authors:Pelletier, H, Sawaya, M.R.
Deposit date:1996-04-19
Release date:1996-11-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A structural basis for metal ion mutagenicity and nucleotide selectivity in human DNA polymerase beta
Biochemistry, 35, 1996

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