5Z3R
 
 | | Crystal Structure of Delta 5-3-Ketosteroid Isomerase from Mycobacterium sp. | | Descriptor: | Steroid delta-isomerase | | Authors: | Cheng, X.Y, Peng, F, Yang, F, Huang, Y.Q, Su, Z.D. | | Deposit date: | 2018-01-08 | | Release date: | 2018-01-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structure-based reconstruction of a Mycobacterium hypothetical protein into an active Delta5-3-ketosteroid isomerase.
Biochim Biophys Acta Proteins Proteom, 1867, 2019
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3RX4
 | | Crystal Structure of Human Aldose Reductase complexed with Sulindac Sulfide | | Descriptor: | 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, X, Chen, J, Luo, H, Hu, X. | | Deposit date: | 2011-05-10 | | Release date: | 2011-11-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
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3RX2
 | | Crystal Structure of Human Aldose Reductase Complexed with Sulindac Sulfone | | Descriptor: | 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, X, Chen, J, Luo, H, Hu, X. | | Deposit date: | 2011-05-10 | | Release date: | 2011-11-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase
Febs Lett., 586, 2012
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3RX3
 | | Crystal Structure of Human Aldose Reductase Complexed with Sulindac | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid | | Authors: | Zheng, X, Chen, J, Luo, H, Hu, X. | | Deposit date: | 2011-05-10 | | Release date: | 2011-11-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
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3CBO
 | | SET7/9-ER-AdoHcy complex | | Descriptor: | BETA-MERCAPTOETHANOL, Estrogen receptor, GLYCEROL, ... | | Authors: | Cheng, X, Jia, D. | | Deposit date: | 2008-02-22 | | Release date: | 2008-05-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase.
Mol.Cell, 30, 2008
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6IJX
 | | Crystal Structure of AKR1C1 complexed with meclofenamic acid | | Descriptor: | 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, X, Zhao, Y, Zhang, L, Zhang, H, Chen, Y, Hu, X. | | Deposit date: | 2018-10-12 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
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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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3CBM
 | | SET7/9-ER-AdoMet complex | | Descriptor: | BETA-MERCAPTOETHANOL, Estrogen receptor, Histone-lysine N-methyltransferase SETD7, ... | | Authors: | Cheng, X, Jia, D. | | Deposit date: | 2008-02-22 | | Release date: | 2008-05-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase.
Mol.Cell, 30, 2008
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3P2M
 | | Crystal Structure of a Novel Esterase Rv0045c from Mycobacterium tuberculosis | | Descriptor: | POSSIBLE HYDROLASE | | Authors: | Zheng, X.D, Guo, J, Xu, L, Li, H, Zhang, D, Zhang, K, Sun, F, Wen, T, Liu, S, Pang, H. | | Deposit date: | 2010-10-03 | | Release date: | 2011-07-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of a Novel Esterase Rv0045c from Mycobacterium tuberculosis
Plos One, 6, 2011
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6IG9
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8JP1
 | | Crystal structure of AKR1C3 in complex with DFV | | Descriptor: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P. | | Deposit date: | 2023-06-10 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibition of AKR1Cs by liquiritigenin and the structural basis.
Chem.Biol.Interact., 385, 2023
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8JP2
 | | Crystal structure of AKR1C1 in complex with DFV | | Descriptor: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, X.H, Liu, H, Yao, Z.Q, Zhang, L.P. | | Deposit date: | 2023-06-10 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Inhibition of AKR1Cs by liquiritigenin and the structural basis.
Chem.Biol.Interact., 385, 2023
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4KSE
 | | Crystal structure of a HIV p51 (219-230) deletion mutant | | Descriptor: | 1,2-ETHANEDIOL, HIV p51 subunit | | Authors: | Zheng, X, Mueller, G.A, Derose, E.F, Pedersen, L.C, Gabel, S.A, Cuneo, M.J, Krahn, J.M, London, R.E. | | Deposit date: | 2013-05-17 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.677 Å) | | Cite: | Selective unfolding of one Ribonuclease H domain of HIV reverse transcriptase is linked to homodimer formation.
Nucleic Acids Res., 42, 2014
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3CBP
 | | Set7/9-ER-Sinefungin complex | | Descriptor: | BETA-MERCAPTOETHANOL, Estrogen receptor, GLYCEROL, ... | | Authors: | Cheng, X, Jia, D. | | Deposit date: | 2008-02-22 | | Release date: | 2008-05-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Regulation of estrogen receptor alpha by the SET7 lysine methyltransferase.
Mol.Cell, 30, 2008
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3R2W
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3R3I
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5ZUT
 | | Crystal Structure of Yeast PCNA in Complex with N24 Peptide | | Descriptor: | N24, Proliferating cell nuclear antigen | | Authors: | Cheng, X.Y, Kuang, X.L, Zhou, Y, Xia, X.M, SU, Z.D. | | Deposit date: | 2018-05-08 | | Release date: | 2018-05-30 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Crystal Structure of Yeast PCNA in Complex with N24 Peptide
To Be Published
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4KFO
 | | Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Tosteb, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W. | | Deposit date: | 2013-04-27 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
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8K20
 | | Cryo-EM structure of KEOPS complex from Arabidopsis thaliana | | Descriptor: | At4g34412, At5g53043, FE (III) ION, ... | | Authors: | Zheng, X.X, Zhu, L, Duan, L, Zhang, W.H. | | Deposit date: | 2023-07-11 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Molecular basis of A. thaliana KEOPS complex in biosynthesizing tRNA t6A.
Nucleic Acids Res., 52, 2024
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8HDG
 | | Small peptide enhances the binding of nutline-3a to MdmX | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, Uncharacterized protein DKFZp686B01123 | | Authors: | Cheng, X.Y, Huang, Y, Wei, Q.Y, Huang, J.J, Peng, Y.W, Su, Z.D. | | Deposit date: | 2022-11-04 | | Release date: | 2022-11-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Small peptide enhances the binding of nutline-3a to MdmX
To Be Published
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4JR5
 | | Structure-based Identification of Ureas as Novel Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Gunzner-Toste, J, Zhao, G, Yuen, P, Bair, K.W. | | Deposit date: | 2013-03-21 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.906 Å) | | Cite: | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
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4KFN
 | | Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Toste, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W. | | Deposit date: | 2013-04-27 | | Release date: | 2013-05-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
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6MHT
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6A7A
 | | AKR1C1 complexed with new inhibitor with novel scaffold | | Descriptor: | (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, X, Zhao, Y, Zhang, H, Chen, Y. | | Deposit date: | 2018-07-02 | | Release date: | 2019-07-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Screening, synthesis, crystal structure, and molecular basis of 6-amino-4-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitriles as novel AKR1C3 inhibitors.
Bioorg.Med.Chem., 26, 2018
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