7KTG
 
 | | DNA Polymerase Mu, 8-oxodGTP:Ct Product State Ternary Complex, 50 mM Mg2+ (960min) | | 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: | 2020-11-24 | | Release date: | 2021-12-15 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.445 Å) | | Cite: | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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7KT0
 | | DNA Polymerase Mu, dGTP:At Ground State Ternary Complex, 50 mM Mg2+ (60min) | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | | Authors: | Jamsen, J.A, Wilson, S.H. | | Deposit date: | 2020-11-24 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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7KT1
 | | DNA Polymerase Mu, dGTP:At Reaction State Ternary Complex, 50 mM Mn2+ (180min) | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Jamsen, J.A, Wilson, S.H. | | Deposit date: | 2020-11-24 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.665 Å) | | Cite: | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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7KSU
 | | DNA Polymerase Mu, dGTP:Ct Product State Ternary Complex, 10 mM Mn2+ (4min) | | 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: | 2020-11-24 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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7KT2
 | | DNA Polymerase Mu, dGTP:At Product State Ternary Complex, 50 mM Mn2+ (225min) | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | | Authors: | Jamsen, J.A, Wilson, S.H. | | Deposit date: | 2020-11-24 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.499 Å) | | Cite: | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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7KSZ
 | | DNA Polymerase Mu, dGTP:At Pre-Catalytic Ground State Ternary Complex, 10 mM Ca2+ (960min) | | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ... | | Authors: | Jamsen, J.A, Wilson, S.H. | | Deposit date: | 2020-11-24 | | Release date: | 2022-01-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.417 Å) | | Cite: | Watching a double strand break repair polymerase insert a pro-mutagenic oxidized nucleotide.
Nat Commun, 12, 2021
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2YGE
 | | E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin | | Descriptor: | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL | | Authors: | Roe, M, Prodromou, C, Pearl, L.H. | | Deposit date: | 2011-04-14 | | Release date: | 2011-11-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.956 Å) | | Cite: | Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise by Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90.
Faseb J., 25, 2011
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2YGF
 | | L89V, L93I and V136M Mutant of N-Term HSP90 complexed with Geldanamycin | | Descriptor: | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN, GLYCEROL | | Authors: | Roe, M, Prodromou, C, Pearl, L.H. | | Deposit date: | 2011-04-14 | | Release date: | 2011-11-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise by Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90.
Faseb J., 25, 2011
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2YGA
 | | E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin | | Descriptor: | ATP-DEPENDENT MOLECULAR CHAPERONE HSP82, GELDANAMYCIN | | Authors: | Roe, S.M, Prodromou, C, Pearl, L.H. | | Deposit date: | 2011-04-12 | | Release date: | 2011-11-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Features of the Streptomyces Hygroscopicus Htpg Reveal How Partial Geldanamycin Resistance Can Arise with Mutation to the ATP Binding Pocket of a Eukaryotic Hsp90.
Faseb J., 25, 2011
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3M6F
 | | CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID | | Descriptor: | 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, NITRATE ION | | Authors: | Sheriff, S. | | Deposit date: | 2010-03-15 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521).
J.Med.Chem., 53, 2010
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5T18
 | | Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide | | Descriptor: | 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide, Tyrosine-protein kinase BTK | | Authors: | Muckelbauer, J.K. | | Deposit date: | 2016-08-18 | | Release date: | 2017-03-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers.
J. Med. Chem., 59, 2016
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9ICF
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9ICR
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9ICX
 | | DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA (NON GAPPED DNA ONLY) | | Descriptor: | DNA (5'-D(*CP*AP*GP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*CP*TP*G)-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 (2.6 Å) | | Cite: | Crystal structures of human DNA polymerase beta complexed with DNA: implications for catalytic mechanism, processivity, and fidelity
Biochemistry, 35, 1996
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9ICS
 | | DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + 2',3'-DIDEOXYCYTIDINE-5'-TRIPHOSPHATE, SOAKED IN THE PRESENCE OF DDCTP AND MNCL2 | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 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: | 1995-12-16 | | Release date: | 1996-11-15 | | 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
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9ICO
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9ICW
 | | DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DNA; NATIVE STRUCTURE | | 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: | 1995-12-16 | | Release date: | 1996-11-15 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structures of human DNA polymerase beta complexed with DNA: implications for catalytic mechanism, processivity, and fidelity
Biochemistry, 35, 1996
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9ICP
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9ICN
 | | DNA POLYMERASE BETA (E.C.2.7.7.7)/DNA COMPLEX + 2',3'-DIDEOXYCYTIDINE-5'-TRIPHOSPHATE, SOAKED IN THE PRESENCE OF DDCTP AND MGCL2 | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 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: | 1995-12-16 | | Release date: | 1995-12-16 | | 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
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9ICK
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9ICQ
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9ICT
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9ICM
 | | DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SIX BASE PAIRS OF DOUBLE STRANDED DNA (NO 5'-PHOSPHATE) | | 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: | 1995-12-16 | | Release date: | 1996-11-15 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of human DNA polymerase beta complexed with DNA: implications for catalytic mechanism, processivity, and fidelity
Biochemistry, 35, 1996
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9ICU
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9ICY
 | | DNA POLYMERASE BETA (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA (NON GAPPED DNA ONLY) | | Descriptor: | DNA (5'-D(*CP*AP*TP*TP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-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 (3 Å) | | Cite: | Crystal structures of human DNA polymerase beta complexed with DNA: implications for catalytic mechanism, processivity, and fidelity
Biochemistry, 35, 1996
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