4LV9
| Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, 7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.807 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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4LVF
| Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 23, 2013
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3R2W
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6IR8
| Rice WRKY/DNA complex | Descriptor: | DNA (5'-D(P*GP*AP*TP*AP*TP*TP*TP*GP*AP*CP*CP*GP*GP*A)-3'), DNA (5'-D(P*TP*CP*CP*GP*GP*TP*CP*AP*AP*AP*TP*AP*TP*C)-3'), OsWRKY45, ... | Authors: | Liu, J, Cheng, X, Wang, D. | Deposit date: | 2018-11-12 | Release date: | 2019-02-20 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of dimerization and dual W-box DNA recognition by rice WRKY domain. Nucleic Acids Res., 47, 2019
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2PVC
| DNMT3L recognizes unmethylated histone H3 lysine 4 | Descriptor: | DNA (cytosine-5)-methyltransferase 3-like, Histone H3 peptide, ZINC ION | Authors: | Cheng, X. | Deposit date: | 2007-05-09 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.69 Å) | Cite: | DNMT3L connects unmethylated lysine 4 of histone H3 to de novo methylation of DNA. Nature, 448, 2007
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2PV0
| DNA methyltransferase 3 like protein (DNMT3L) | Descriptor: | DNA (cytosine-5)-methyltransferase 3-like, ZINC ION | Authors: | Cheng, X. | Deposit date: | 2007-05-09 | Release date: | 2007-08-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | DNMT3L connects unmethylated lysine 4 of histone H3 to de novo methylation of DNA. Nature, 448, 2007
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5EIB
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5X56
| Crystal structure of PSB27 from Arabidopsis thaliana | Descriptor: | Photosystem II repair protein PSB27-H1, chloroplastic | Authors: | Liu, J, Cheng, X. | Deposit date: | 2017-02-15 | Release date: | 2017-12-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of Psb27 from Arabidopsis thaliana determined at a resolution of 1.85 angstrom. Photosyn. Res., 136, 2018
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6MHT
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7RWR
| An RNA aptamer that decreases flavin redox potential | Descriptor: | FLAVIN MONONUCLEOTIDE, RNA (38-MER) | Authors: | Gremminger, T, Li, J, Chen, S, Heng, X. | Deposit date: | 2021-08-20 | Release date: | 2022-07-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | An RNA aptamer that shifts the reduction potential of metabolic cofactors. Nat.Chem.Biol., 18, 2022
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3MHT
| TERNARY STRUCTURE OF HHAI METHYLTRANSFERASE WITH UNMODIFIED DNA AND ADOHCY | Descriptor: | DNA (5'-D(*GP*AP*TP*AP*GP*CP*GP*CP*TP*AP*TP*C)-3'), DNA (5'-D(*TP*GP*AP*TP*AP*GP*CP*GP*CP*TP*AP*TP*C)-3'), PROTEIN (HHAI METHYLTRANSFERASE (E.C.2.1.1.73)), ... | Authors: | O'Gara, M, Klimasauskas, S, Roberts, R.J, Cheng, X. | Deposit date: | 1996-07-24 | Release date: | 1997-01-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Enzymatic C5-cytosine methylation of DNA: mechanistic implications of new crystal structures for HhaL methyltransferase-DNA-AdoHcy complexes. J.Mol.Biol., 261, 1996
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5CG9
| NgTET1 in complex with 5mC DNA in space group P3221 | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, DNA (5'-D(*TP*GP*TP*CP*AP*GP*(5CM)P*GP*CP*AP*TP*GP*G)-3'), ... | Authors: | Hashimoto, H, Pais, J.E, Dai, N, Zhang, X, Zheng, Y, Cheng, X. | Deposit date: | 2015-07-09 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.693 Å) | Cite: | Structure of Naegleria Tet-like dioxygenase (NgTet1) in complexes with a reaction intermediate 5-hydroxymethylcytosine DNA. Nucleic Acids Res., 43, 2015
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5CG8
| NgTET1 in complex with 5hmC DNA | Descriptor: | 2-OXOGLUTARIC ACID, DNA (5'-D(*AP*GP*AP*AP*TP*TP*CP*CP*GP*TP*TP*CP*CP*A)-3'), DNA (5'-D(*TP*GP*GP*AP*AP*(5HC)P*GP*GP*AP*AP*TP*TP*CP*T)-3'), ... | Authors: | Hashimoto, H, Pais, J.E, Dai, N, Zhang, X, Zheng, Y, Cheng, X. | Deposit date: | 2015-07-09 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | Structure of Naegleria Tet-like dioxygenase (NgTet1) in complexes with a reaction intermediate 5-hydroxymethylcytosine DNA. Nucleic Acids Res., 43, 2015
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6DQ8
| LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR N49 i.e. 2-((2-chlorophenyl)(2-(1-methylpyrrolidin-2-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 2-[(R)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, 2-[(S)-(2-chlorophenyl){2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy}methyl]thieno[3,2-b]pyridine-7-carboxylic acid, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DQ6
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6DQF
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6DQA
| Linked KDM5A JMJ Domain Bound to Inhibitor N70 i.e.[2-((3-aminophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid] | Descriptor: | 1,2-ETHANEDIOL, 2-{(R)-(3-aminophenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.888 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DQC
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6DQD
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6DQ5
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6DQE
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6DQ7
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6DQ4
| LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1 | Descriptor: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.392 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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6DQ9
| Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid] | Descriptor: | 1,2-ETHANEDIOL, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.748 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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1SKM
| HhaI methyltransferase in complex with DNA containing an abasic south carbocyclic sugar at its target site | Descriptor: | 5'-D(*T*GP*TP*CP*AP*GP*(HCX)P*GP*CP*AP*TP*GP*G)-3', 5'-D(*TP*CP*CP*AP*TP*GP*CP*GP*CP*TP*GP*AP*C)-3', Modification methylase HhaI, ... | Authors: | Horton, J.R, Ratner, G, Banavali, N, Huang, N, Marquez, V.E, MacKerell, A.D, Cheng, X. | Deposit date: | 2004-03-05 | Release date: | 2004-08-24 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Caught in the act: visualization of an intermediate in the DNA base-flipping pathway induced by HhaI methyltransferase Nucleic Acids Res., 32, 2004
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