Author results

6IJX
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CRYSTAL STRUCTURE OF AKR1C1 COMPLEXED WITH MECLOFENAMIC ACID
分子名称:Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[(2,6-dichloro-3-methyl-phenyl)amino]benzoic acid
著者Zheng, X., Zhao, Y., Zhang, L., Zhang, H., Chen, Y., Hu, X.
登録日2018-10-12
公開日2019-10-16
最終更新日2020-04-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
3RX2
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CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH SULINDAC SULFONE
分子名称:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]ethanoic acid
著者Zheng, X., Chen, J., Luo, H., Hu, X.
登録日2011-05-10
公開日2011-11-30
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase
Febs Lett., 586, 2012
3RX3
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CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH SULINDAC
分子名称:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(1Z)-5-fluoro-2-methyl-1-{4-[methylsulfinyl]benzylidene}-1H-inden-3-yl]acetic acid
著者Zheng, X., Chen, J., Luo, H., Hu, X.
登録日2011-05-10
公開日2011-11-30
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
3RX4
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CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH SULINDAC SULFIDE
分子名称:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[(3Z)-6-fluoranyl-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoic acid
著者Zheng, X., Chen, J., Luo, H., Hu, X.
登録日2011-05-10
公開日2011-11-30
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
3S3G
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CRYSTAL STRUCTURE OF HUMAN ALDOSE REDUCTASE COMPLEXED WITH TOLMETIN
分子名称:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Tolmetin
著者Zheng, X., Chen, J., Luo, H., Hu, X.
登録日2011-05-18
公開日2012-04-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The molecular basis for inhibition of sulindac and its metabolites towards human aldose reductase.
Febs Lett., 586, 2012
3V35
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ALDOSE REDUCTASE COMPLEXED WITH A NITRO COMPOUND
分子名称:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate, ...
著者Zheng, X., Zhang, L., Chen, Y., Luo, H., Hu, X.
登録日2011-12-13
公開日2012-08-29
最終更新日2014-07-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Partial inhibition of aldose reductase by nitazoxanide and its molecular basis.
Chemmedchem, 7, 2012
3V36
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ALDOSE REDUCTASE COMPLEXED WITH GLCERALDEHYDE
分子名称:Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, GLYCERALDEHYDE, ...
著者Zheng, X., Zhang, L., Chen, Y., Luo, H., Hu, X.
登録日2011-12-13
公開日2012-08-29
最終更新日2014-07-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Partial inhibition of aldose reductase by nitazoxanide and its molecular basis.
Chemmedchem, 7, 2012
6A7A
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AKR1C1 COMPLEXED WITH NEW INHIBITOR WITH NOVEL SCAFFOLD
分子名称:Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
著者Zheng, X., Zhao, Y., Zhang, H., Chen, Y.
登録日2018-07-02
公開日2019-07-03
最終更新日2020-04-29
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献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
6A7B
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AKR1C3 COMPLEXED WITH NEW INHIBITOR WITH NOVEL SCAFFOLD
分子名称:Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (4R)-6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile, ...
著者Zheng, X., Zhao, Y., Zhang, H., Chen, Y.
登録日2018-07-02
公開日2019-07-03
最終更新日2020-04-29
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献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
6WEJ
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STRUCTURE OF CGMP-UNBOUND WT TAX-4 RECONSTITUTED IN LIPID NANODISCS
分子名称:Cyclic nucleotide-gated cation channel, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, ...
著者Zheng, X., Fu, Z., Su, D., Zhang, Y., Li, M., Pan, Y., Li, H., Li, S., Grassucci, R.A., Ren, Z., Hu, Z., Li, X., Zhou, M., Li, G., Frank, J., Yang, J.
登録日2020-04-02
公開日2020-06-03
最終更新日2020-06-17
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 2020
6WEK
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STRUCTURE OF CGMP-BOUND WT TAX-4 RECONSTITUTED IN LIPID NANODISCS
分子名称:Cyclic nucleotide-gated cation channel, CYCLIC GUANOSINE MONOPHOSPHATE, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Zheng, X., Fu, Z., Su, D., Zhang, Y., Li, M., Pan, Y., Li, H., Li, S., Grassucci, R.A., Ren, Z., Hu, Z., Li, X., Zhou, M., Li, G., Frank, J., Yang, J.
登録日2020-04-02
公開日2020-06-03
最終更新日2020-06-17
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 2020
6WEL
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STRUCTURE OF CGMP-UNBOUND F403V/V407A MUTANT TAX-4 RECONSTITUTED IN LIPID NANODISCS
分子名称:Cyclic nucleotide-gated cation channel, 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, ...
著者Zheng, X., Fu, Z., Su, D., Zhang, Y., Li, M., Pan, Y., Li, H., Li, S., Grassucci, R.A., Ren, Z., Hu, Z., Li, X., Zhou, M., Li, G., Frank, J., Yang, J.
登録日2020-04-02
公開日2020-06-03
最終更新日2020-06-17
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献Mechanism of ligand activation of a eukaryotic cyclic nucleotide-gated channel.
Nat.Struct.Mol.Biol., 2020
2Z2D
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SOLUTION STRUCTURE OF HUMAN MACROPHAGE ELASTASE (MMP-12) CATALYTIC DOMAIN COMPLEXED WITH A GAMMA-KETO BUTANOIC ACID INHIBITOR
分子名称:Macrophage metalloelastase, ZINC ION, CALCIUM ION, ...
著者Zheng, X., Ou, L.
登録日2007-05-18
公開日2007-11-20
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Solution structure of human macrophage elastase (MMP-12) catalytic domain complexed with a gamma-keto butanoic acid inhibitor
To be published
3R3I
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CRYSTAL STRUCTURE OF C-TERMINAL TRUNCATION OF UDP-GLUCOSE PYROPHOSPHORYLASE OF HOMO SAPIENS
分子名称:UTP--glucose-1-phosphate uridylyltransferase
著者Zheng, X., Yu, Q.
登録日2011-03-15
公開日2012-03-21
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (3.57 Å)
主引用文献Crystal Structure of UDP-glucose Pyrophosphorylase of Homo sapiens
To be Published
4JR5
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STRUCTURE-BASED IDENTIFICATION OF UREAS AS NOVEL NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) INHIBITORS
分子名称:Nicotinamide phosphoribosyltransferase, 1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea, PHOSPHATE ION, ...
著者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.
登録日2013-03-21
公開日2013-05-08
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
4KFN
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STRUCTURE-BASED DISCOVERY OF NOVEL AMIDE-CONTAINING NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) INHIBITORS
分子名称:Nicotinamide phosphoribosyltransferase, N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, PHOSPHATE ION, ...
著者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.
登録日2013-04-27
公開日2013-05-08
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
4KFO
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STRUCTURE-BASED DISCOVERY OF NOVEL AMIDE-CONTAINING NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) INHIBITORS
分子名称:Nicotinamide phosphoribosyltransferase, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, PHOSPHATE ION, ...
著者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.
登録日2013-04-27
公開日2013-05-08
最終更新日2013-07-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
4KSE
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CRYSTAL STRUCTURE OF A HIV P51 (219-230) DELETION MUTANT
分子名称:HIV p51 subunit, 1,2-ETHANEDIOL
著者Zheng, X., Mueller, G.A., Derose, E.F., Pedersen, L.C., Gabel, S.A., Cuneo, M.J., Krahn, J.M., London, R.E.
登録日2013-05-17
公開日2014-08-13
実験手法X-RAY DIFFRACTION (2.677 Å)
主引用文献Selective unfolding of one Ribonuclease H domain of HIV reverse transcriptase is linked to homodimer formation.
Nucleic Acids Res., 42, 2014
4LTS
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DISCOVERY OF POTENT AND EFFICACIOUS CYANOGUANIDINE-CONTAINING NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) INHIBITORS
分子名称:Nicotinamide phosphoribosyltransferase, 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine, PHOSPHATE ION, ...
著者Zheng, X., Baumeister, T., Buckmelter, A.J., Caligiuri, M., Clodfelter, K.H., Han, B., Ho, Y., Kley, N., Lin, J., Reynoids, D.J., Sharma, G., Smith, C.C., Wang, Z., Dragovich, P.S., Oh, A., Wang, W., Zak, M., Wang, L., Yuen, P., Bair, K.W.
登録日2013-07-23
公開日2013-12-25
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.692 Å)
主引用文献Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4LWW
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DISCOVERY OF POTENT AND EFFICACIOUS CYANOGUANIDINE-CONTAINING NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) INHIBITORS
分子名称:Nicotinamide phosphoribosyltransferase, N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, PHOSPHATE ION, ...
著者Zheng, X., Baumeister, T., Buckmelter, A.J., Caligiuri, M., Clodfelter, K.H., Han, B., Ho, Y., Kley, N., Lin, J., Reynoids, D.J., Sharma, G., Smith, C.C., Wang, Z., Dragovich, P.S., Oh, A., Wang, W., Zak, M., Wang, L., Yuen, P., Bair, K.W.
登録日2013-07-28
公開日2013-12-25
最終更新日2014-01-15
実験手法X-RAY DIFFRACTION (1.641 Å)
主引用文献Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
6JIF
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CRYSTAL STRUCTURES OF BRANCHED-CHAIN AMINOTRANSFERASE FROM PSEUDOMONAS SP. UW4
分子名称:Branched-chain-amino-acid aminotransferase, PYRIDOXAL-5'-PHOSPHATE
著者Zheng, X., Guo, L., Li, D.F., Wu, B.
登録日2019-02-21
公開日2020-01-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biochemical and structural characterization of a highly active branched-chain amino acid aminotransferase from Pseudomonas sp. for efficient biosynthesis of chiral amino acids.
Appl.Microbiol.Biotechnol., 103, 2019
6ODA
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CRYSTAL STRUCTURE OF HDAC8 IN COMPLEX WITH COMPOUND 2
分子名称:Histone deacetylase 8, N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide, ZINC ION, ...
著者Zheng, X., Conti, C., Caravella, J., Zablocki, M.-M., Bair, K., Barczak, N., Han, B., Lancia Jr., D., Liu, C., Martin, M., Ng, P.Y., Rudnitskaya, A., Thomason, J.J., Garcia-Dancey, R., Hardy, C., Lahdenranta, J., Leng, C., Li, P., Pardo, E., Saldahna, A., Tan, T., Toms, A.V., Yao, L., Zhang, C.
登録日2019-03-26
公開日2020-04-01
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
6ODB
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CRYSTAL STRUCTURE OF HDAC8 IN COMPLEX WITH COMPOUND 3
分子名称:Histone deacetylase 8, N-{2-[(1E)-3-(hydroxyamino)-3-oxoprop-1-en-1-yl]phenyl}-2-phenoxybenzamide, ZINC ION, ...
著者Zheng, X., Conti, C., Caravella, J., Zablocki, M.-M., Bair, K., Barczak, N., Han, B., Lancia Jr., D., Liu, C., Martin, M., Ng, P.Y., Rudnitskaya, A., Thomason, J.J., Garcia-Dancey, R., Hardy, C., Lahdenranta, J., Leng, C., Li, P., Pardo, E., Saldahna, A., Tan, T., Toms, A.V., Yao, L., Zhang, C.
登録日2019-03-26
公開日2020-04-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
6ODC
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CRYSTAL STRUCTURE OF HDAC8 IN COMPLEX WITH COMPOUND 30
分子名称:Histone deacetylase 8, ZINC ION, POTASSIUM ION, ...
著者Zheng, X., Conti, C., Caravella, J., Zablocki, M.-M., Bair, K., Barczak, N., Han, B., Lancia Jr., D., Liu, C., Martin, M., Ng, P.Y., Rudnitskaya, A., Thomason, J.J., Garcia-Dancey, R., Hardy, C., Lahdenranta, J., Leng, C., Li, P., Pardo, E., Saldahna, A., Tan, T., Toms, A.V., Yao, L., Zhang, C.
登録日2019-03-26
公開日2020-04-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based Discovery of Novel N-(E)-N-Hydroxy-3-(2-(2-oxoimidazolidin-1-yl)phenyl)acrylamides as Potent and Selective HDAC8 inhibitors
To Be Published
2EXX
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CRYSTAL STRUCTURE OF HSCARG FROM HOMO SAPIENS IN COMPLEX WITH NADP
分子名称:HSCARG protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, GLYCEROL
著者Dai, X., Chen, Q., Yao, D., Liang, Y., Dong, Y., Gu, X., Zheng, X., Luo, M.
登録日2005-11-09
公開日2006-11-21
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Restructuring of the dinucleotide-binding fold in an NADP(H) sensor protein.
Proc.Natl.Acad.Sci.USA, 104, 2007