6U17
 
 | | Human thymine DNA glycosylase bound to DNA with 2'-F-5-carboxyl-dC substrate analog | | Descriptor: | ACETATE ION, DNA (28-MER), DNA (30-MER), ... | | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | | Deposit date: | 2019-08-15 | | Release date: | 2019-11-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Excision of 5-Carboxylcytosine by Thymine DNA Glycosylase.
J.Am.Chem.Soc., 141, 2019
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6U15
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6U16
 | | Human thymine DNA glycosylase N140A mutant bound to DNA with 5-carboxyl-dC substrate | | Descriptor: | 1,2-ETHANEDIOL, DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase | | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | | Deposit date: | 2019-08-15 | | Release date: | 2019-11-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Excision of 5-Carboxylcytosine by Thymine DNA Glycosylase.
J.Am.Chem.Soc., 141, 2019
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7TC2
 | | Human APE1 in complex with 5-nitroindole-2-carboxylic acid | | Descriptor: | 1,2-ETHANEDIOL, 5-nitro-1H-indole-2-carboxylic acid, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | | Deposit date: | 2021-12-22 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Characterizing inhibitors of human AP endonuclease 1.
Plos One, 18, 2023
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7TC3
 | | Human APE1 in the apo form | | Descriptor: | 1,2-ETHANEDIOL, DNA-(apurinic or apyrimidinic site) endonuclease, mitochondrial | | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | | Deposit date: | 2021-12-22 | | Release date: | 2022-12-21 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.252 Å) | | Cite: | Characterizing inhibitors of human AP endonuclease 1.
Plos One, 18, 2023
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5TK5
 | | Crystal structure of human 3HAO with iron bound in the active site | | Descriptor: | 3-hydroxyanthranilate 3,4-dioxygenase, FE (III) ION, SULFATE ION | | Authors: | Pidugu, L.S, Toth, E.A. | | Deposit date: | 2016-10-06 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Crystal structures of human 3-hydroxyanthranilate 3,4-dioxygenase with native and non-native metals bound in the active site.
Acta Crystallogr D Struct Biol, 73, 2017
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5EA2
 | | Crystal Structure of Holo NAD(P)H dehydrogenase, quinone 1 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A. | | Deposit date: | 2015-10-15 | | Release date: | 2016-02-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone.
Bmc Struct.Biol., 16, 2016
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5EAI
 | | Crystal Structure of NAD(P)H dehydrogenase, quinone 1 complexed with a chemotherapeutic naphthoquinone E6a | | Descriptor: | (2~{R},3~{R})-2-[(2~{S},3~{S})-3-bromanyl-1,4-bis(oxidanylidene)-2,3-dihydronaphthalen-2-yl]-3-oxidanyl-2,3-dihydronaphthalene-1,4-dione, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Pidugu, L.S, Mbimba, J.E, Ahmad, M, Pozharski, E, Sausville, E.A, Emadi, A, Toth, E.A. | | Deposit date: | 2015-10-16 | | Release date: | 2016-02-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A direct interaction between NQO1 and a chemotherapeutic dimeric naphthoquinone.
Bmc Struct.Biol., 16, 2016
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7KZ0
 | | Human MBD4 glycosylase domain bound to DNA containing substrate analog 2'-deoxy-pseudouridine | | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*CP*GP*(P2U)P*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*GP*CP*GP*CP*TP*GP*G)-3'), GLYCEROL, ... | | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | | Deposit date: | 2020-12-09 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Structural Insights into the Mechanism of Base Excision by MBD4.
J.Mol.Biol., 433, 2021
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7KZ1
 | | Human MBD4 glycosylase domain bound to DNA containing an abasic site | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*CP*GP*(ORP)P*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*GP*CP*GP*CP*TP*GP*G)-3'), ... | | Authors: | Pidugu, L.S, Bright, H, Pozharski, E, Drohat, A.C. | | Deposit date: | 2020-12-09 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structural Insights into the Mechanism of Base Excision by MBD4.
J.Mol.Biol., 433, 2021
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7KZG
 | | Human MBD4 glycosylase domain bound to DNA containing oxacarbenium-ion analog 1-aza-2'-deoxyribose | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Pidugu, L.S, Pozharski, E, Drohat, A.C. | | Deposit date: | 2020-12-10 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Structural Insights into the Mechanism of Base Excision by MBD4.
J.Mol.Biol., 433, 2021
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5T2W
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5TKQ
 | | Crystal structure of human 3HAO with zinc bound in the active site | | Descriptor: | 3-hydroxyanthranilate 3,4-dioxygenase, SULFATE ION, ZINC ION | | Authors: | Pidugu, L.S, Toth, E.A. | | Deposit date: | 2016-10-07 | | Release date: | 2017-04-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structures of human 3-hydroxyanthranilate 3,4-dioxygenase with native and non-native metals bound in the active site.
Acta Crystallogr D Struct Biol, 73, 2017
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5JXY
 | | Enzyme-substrate complex of TDG catalytic domain bound to a G/U analog | | Descriptor: | DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase | | Authors: | Pidugu, L.S, Pozharski, E, Malik, S.S, Drohat, A.C. | | Deposit date: | 2016-05-13 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structural basis of damage recognition by thymine DNA glycosylase: Key roles for N-terminal residues.
Nucleic Acids Res., 44, 2016
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1UH5
 | | Crystal Structure of Enoyl-ACP Reductase with Triclosan at 2.2angstroms | | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN, enoyl-ACP reductase | | Authors: | Swarnamukhi, P.L, Kapoor, M, Surolia, N, Surolia, A, Suguna, K. | | Deposit date: | 2003-06-24 | | Release date: | 2004-09-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for the variation in triclosan affinity to enoyl reductases.
J.Mol.Biol., 343, 2004
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1V35
 | | Crystal Structure of Eoyl-ACP Reductase with NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, enoyl-ACP reductase | | Authors: | SwarnaMukhi, P.L, Kapoor, M, surolia, N, Surolia, A, Suguna, K. | | Deposit date: | 2003-10-28 | | Release date: | 2004-09-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the variation in triclosan affinity to enoyl reductases.
J.Mol.Biol., 343, 2004
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5FF8
 | | TDG enzyme-product complex | | Descriptor: | DNA, G/T mismatch-specific thymine DNA glycosylase | | Authors: | Pozharski, E, Malik, S.S, Drohat, A.C. | | Deposit date: | 2015-12-18 | | Release date: | 2016-09-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis of damage recognition by thymine DNA glycosylase: Key roles for N-terminal residues.
Nucleic Acids Res., 44, 2016
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5HF7
 | | TDG enzyme-substrate complex | | Descriptor: | DNA (28-MER), G/T mismatch-specific thymine DNA glycosylase | | Authors: | Pozharski, E, Malik, S.S, Drohat, A.C. | | Deposit date: | 2016-01-06 | | Release date: | 2016-09-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural basis of damage recognition by thymine DNA glycosylase: Key roles for N-terminal residues.
Nucleic Acids Res., 44, 2016
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