8I7X
 
 | | Crystal structure of human ClpP in complex with ZG36 | | Descriptor: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial | | Authors: | Wang, P.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2023-02-02 | | Release date: | 2023-07-19 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Assessment of the structure-activity relationship and antileukemic activity of diacylpyramide compounds as human ClpP agonists.
Eur.J.Med.Chem., 258, 2023
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4QKN
 | | Crystal structure of FTO bound to a selective inhibitor | | Descriptor: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO, GLYCEROL, ... | | Authors: | Yang, C.-G, Huang, Y, Gan, J. | | Deposit date: | 2014-06-07 | | Release date: | 2014-12-03 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Meclofenamic acid selectively inhibits FTO demethylation of m6A over ALKBH5.
Nucleic Acids Res., 43, 2015
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3RZL
 | | Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage | | Descriptor: | 5'-D(*AP*TP*GP*TP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*IP*AP*TP*AP*CP*A)-3', Alpha-ketoglutarate-dependent dioxygenase alkB homolog 2, ... | | Authors: | Yi, C, Chen, B, Qi, B, Zhang, W, Jia, G, Zhang, L, Li, C, Dinner, A, Yang, C, He, C. | | Deposit date: | 2011-05-11 | | Release date: | 2012-06-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
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3S57
 | | ABH2 cross-linked with undamaged dsDNA-1 containing cofactors | | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*AP*TP*CP*AP*CP*TP*GP*CP*G)-3', 5'-D(*TP*CP*GP*CP*AP*GP*TP*GP*AP*TP*GP*AP*CP*A)-3', ... | | Authors: | Yi, C, Chen, B, Qi, B, Ramirez, B, Zhang, W, Jia, G, Zhang, L, Li, C.Q, Dinner, A.R, Yang, C.-G, He, C. | | Deposit date: | 2011-05-20 | | Release date: | 2012-06-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
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4RFR
 | | Complex structure of AlkB/rhein | | Descriptor: | 4,5-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, Alpha-ketoglutarate-dependent dioxygenase AlkB, MANGANESE (II) ION | | Authors: | Li, Q, Huang, Y, Li, J.F, Yang, C.-G. | | Deposit date: | 2014-09-27 | | Release date: | 2016-04-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Rhein Inhibits AlkB Repair Enzymes and Sensitizes Cells to Methylated DNA Damage.
J.Biol.Chem., 291, 2016
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3S5A
 | | ABH2 cross-linked to undamaged dsDNA-2 with cofactors | | Descriptor: | 2-OXOGLUTARIC ACID, 5'-D(*CP*TP*GP*TP*CP*TP*CP*AP*CP*TP*GP*TP*CP*G)-3', 5'-D(*TP*CP*GP*AP*CP*AP*GP*TP*GP*AP*GP*AP*CP*A)-3', ... | | Authors: | Yi, C, Chen, B, Qi, B, Ramirez, B, Zhang, W, Jia, G, Zhang, L, Li, C.Q, Dinner, A.R, Yang, C.-G, He, C. | | Deposit date: | 2011-05-21 | | Release date: | 2012-06-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Duplex interrogation by a direct DNA repair protein in search of base damage
Nat.Struct.Mol.Biol., 19, 2012
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8IT9
 | | Co-crystal structure of FTO bound to 22 | | Descriptor: | 2-OXOGLUTARIC ACID, 2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO | | Authors: | Yang, C.-G, Gan, J.H. | | Deposit date: | 2023-03-22 | | Release date: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Rational Design of RNA Demethylase FTO Inhibitors with Enhanced Antileukemia Drug-Like Properties.
J.Med.Chem., 66, 2023
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4HBL
 | | Crystal structure of AbfR of Staphylococcus epidermidis | | Descriptor: | Transcriptional regulator, MarR family | | Authors: | Liu, X, Sun, X, Gan, J, Lan, L, Yang, C.-G. | | Deposit date: | 2012-09-28 | | Release date: | 2013-01-02 | | Last modified: | 2013-02-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Oxidation-sensing Regulator AbfR Regulates Oxidative Stress Responses, Bacterial Aggregation, and Biofilm Formation in Staphylococcus epidermidis.
J.Biol.Chem., 288, 2013
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3O1M
 | | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), ... | | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | | Deposit date: | 2010-07-21 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase.
Nature, 468, 2010
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3O1V
 | | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDJ)P*AP*CP*CP*GP*T)-3'), ... | | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | | Deposit date: | 2010-07-22 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase.
Nature, 468, 2010
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3O1P
 | | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), ... | | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | | Deposit date: | 2010-07-21 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase.
Nature, 468, 2010
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6IHR
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6IHS
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3O1U
 | | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDV)P*AP*CP*CP*GP*T)-3'), ... | | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | | Deposit date: | 2010-07-22 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase.
Nature, 468, 2010
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3O1S
 | | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDQ)P*AP*CP*CP*GP*T)-3'), ... | | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | | Deposit date: | 2010-07-22 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase.
Nature, 468, 2010
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3O1T
 | | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDU)P*AP*CP*CP*GP*T)-3'), ... | | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | | Deposit date: | 2010-07-22 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase.
Nature, 468, 2010
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3O1R
 | | Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase | | Descriptor: | 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), ... | | Authors: | Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C. | | Deposit date: | 2010-07-21 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase.
Nature, 468, 2010
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5HLH
 | | Crystal structure of the overoxidized AbfR bound to DNA | | Descriptor: | DNA (5'-D(*TP*AP*AP*CP*TP*CP*AP*AP*TP*CP*GP*CP*GP*CP*GP*CP*GP*AP*TP*TP*GP*AP*GP*T)-3'), MarR family transcriptional regulator | | Authors: | Liu, G, Liu, X, Gan, J, Yang, C.-G. | | Deposit date: | 2016-01-15 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Insights into the Redox-Sensing Mechanism of MarR-Type Regulator AbfR.
J. Am. Chem. Soc., 139, 2017
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5HLI
 | | Structure of Disulfide formed AbfR | | Descriptor: | CHLORIDE ION, COPPER (II) ION, MarR family transcriptional regulator | | Authors: | Liu, G, Liu, X, Gan, J, Yang, C.-G. | | Deposit date: | 2016-01-15 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural Insights into the Redox-Sensing Mechanism of MarR-Type Regulator AbfR.
J. Am. Chem. Soc., 139, 2017
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7DFT
 | | Crystal structure of Xanthomonas oryzae ClpP | | Descriptor: | ATP-dependent Clp protease proteolytic subunit, CHLORIDE ION | | Authors: | Yang, C.-G, Yang, T. | | Deposit date: | 2020-11-09 | | Release date: | 2021-05-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Dysregulation of ClpP by Small-Molecule Activators Used Against Xanthomonas oryzae pv. oryzae Infections.
J.Agric.Food Chem., 69, 2021
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7DFU
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6AKW
 | | Crystal structure of RNA dioxygenase bound with an inhibitor | | Descriptor: | 2-OXOGLUTARIC ACID, 2-[[2,6-bis(chloranyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]amino]benzoic acid, Alpha-ketoglutarate-dependent dioxygenase FTO | | Authors: | Yang, C.-G, Huang, Y, Gan, J. | | Deposit date: | 2018-09-04 | | Release date: | 2019-05-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Small-Molecule Targeting of Oncogenic FTO Demethylase in Acute Myeloid Leukemia.
Cancer Cell, 35, 2019
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5DAJ
 | | Crystal structure of NalD, the secondary repressor of MexAB-OprM multidrug efflux pump in Pseudomonas aeruginosa | | Descriptor: | NalD | | Authors: | Chen, W.Z, Wang, D, Huang, S.Q, Hu, Q.Y, Liu, X.C, Gan, J.H, Chen, H. | | Deposit date: | 2015-08-20 | | Release date: | 2016-04-20 | | Last modified: | 2023-04-12 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Novobiocin binding to NalD induces the expression of the MexAB-OprM pump in Pseudomonas aeruginosa
Mol.Microbiol., 100, 2016
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7VP9
 | | Crystal structure of human ClpP in complex with ZG111 | | Descriptor: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | | Authors: | Wang, P.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2021-10-15 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.552 Å) | | Cite: | Aberrant human ClpP activation disturbs mitochondrial proteome homeostasis to suppress pancreatic ductal adenocarcinoma.
Cell Chem Biol, 29, 2022
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5W18
 | | Staphylococcus aureus ClpP in complex with (S)-N-((2R,6S,8aS,14aS,20S,23aS)-2,6-dimethyl-5,8,14,19,23-pentaoxooctadecahydro-1H,5H,14H,19H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1]oxa[4,7,10,13]tetraazacyclohexadecin-20-yl)-3-phenyl-2-(3-phenylureido)propanamide | | Descriptor: | 9V7-PHE-SER-PRO-YCP-ALA-MP8, ATP-dependent Clp protease proteolytic subunit | | Authors: | Lee, R.E, Griffith, E.C. | | Deposit date: | 2017-06-02 | | Release date: | 2017-08-09 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Ureadepsipeptides as ClpP Activators.
Acs Infect Dis., 2019
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