3MX7
 
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4KFP
 | | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived Ureas as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | 分子名称: | 1,2-ETHANEDIOL, N-(4-{[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]sulfonyl}benzyl)-2H-pyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Dragovich, P.S, Bair, K.W, Baumeister, T, Ho, Y, Liederer, B.M, Liu, X, O'Brien, T, Oeh, J, Sampath, D, Skelton, N, Wang, L, Wang, W, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X. | | 登録日 | 2013-04-27 | | 公開日 | 2013-08-14 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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4JII
 | | Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat | | 分子名称: | 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC) | | 登録日 | 2013-03-06 | | 公開日 | 2013-10-23 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
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4JIH
 | | Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat | | 分子名称: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid | | 著者 | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC) | | 登録日 | 2013-03-06 | | 公開日 | 2013-10-23 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
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4JIR
 | | Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat | | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | | 著者 | Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X. | | 登録日 | 2013-03-06 | | 公開日 | 2013-10-23 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
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4JNM
 | | Discovery of Potent and Efficacious Urea-containing Nicotinamide Phosphoribosyltransferase (NAMPT) Inhibitors with Reduced CYP2C9 Inhibition Properties | | 分子名称: | 1,2-ETHANEDIOL, 1-[(6-aminopyridin-3-yl)methyl]-3-[4-(phenylsulfonyl)phenyl]urea, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Gunzner-Toste, J, Zhao, G, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Fu, B, Han, B, Ho, Y, Kley, N, Liederer, B, Lin, J, Mukadam, S, O'Brien, T, Reynolds, D.J, Sharma, G, Skelton, N, Smith, C.C, Oh, A, Wang, W, Wang, Z, Xiao, Y, Yuen, P, Zak, M, Zhang, L, Zheng, X, Bair, K.W, Dragovich, P.S. | | 登録日 | 2013-03-15 | | 公開日 | 2013-05-29 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties.
Bioorg.Med.Chem.Lett., 23, 2013
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4L4M
 | | Structural Analysis of a Phosphoribosylated Inhibitor in Complex with Human Nicotinamide Phosphoribosyltransferase | | 分子名称: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-7-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Oh, A, Ho, Y, Zak, M, Liu, Y, Yuen, P, Zheng, X, Dragovich, S.P, Wang, W. | | 登録日 | 2013-06-08 | | 公開日 | 2014-06-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.445 Å) | | 主引用文献 | Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase.
Chembiochem, 15, 2014
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4H5Y
 | | High-resolution crystal structure of Legionella pneumophila LidA (60-594) | | 分子名称: | LidA protein, substrate of the Dot/Icm system | | 著者 | An, X, Ye, S, Liu, Y, Zheng, X, Zhang, R. | | 登録日 | 2012-09-19 | | 公開日 | 2013-09-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The crystal structure of LidA, a translocated substrate of the Legionella pneumophila type IV secretion system.
Protein Cell, 4, 2013
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4GQG
 | | Crystal structure of AKR1B10 complexed with NADP+ | | 分子名称: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zhang, L, Zheng, X, Chen, S, Zhai, J, Hu, X. | | 登録日 | 2012-08-23 | | 公開日 | 2013-08-28 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
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4L4L
 | | Structural Analysis of a Phosphoribosylated Inhibitor in Complex with Human Nicotinamide Phosphoribosyltransferase | | 分子名称: | 1,2-ETHANEDIOL, 6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Oh, A, Ho, Y, Zak, M, Liu, Y, Yuen, P, Zheng, X, Dragovich, S.P, Wang, W. | | 登録日 | 2013-06-08 | | 公開日 | 2014-06-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.122 Å) | | 主引用文献 | Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase.
Chembiochem, 15, 2014
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4I5X
 | | Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid | | 分子名称: | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zhang, L, Zheng, X, Chen, S, Zhai, J, Zhang, H, Zhao, Y. | | 登録日 | 2012-11-29 | | 公開日 | 2013-10-23 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
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8V2F
 | | Crystal structure of IRAK4 kinase domain with compound 9 | | 分子名称: | CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ... | | 著者 | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | 登録日 | 2023-11-22 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
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8V1O
 | | Crystal structure of IRAK4 kinase domain with compound 4 | | 分子名称: | CHLORIDE ION, GLYCEROL, Interleukin-1 receptor-associated kinase 4, ... | | 著者 | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | 登録日 | 2023-11-21 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | | 主引用文献 | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
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8V2L
 | | Crystal structure of IRAK4 kinase domain with compound 8 | | 分子名称: | 1,2-ETHANEDIOL, Interleukin-1 receptor-associated kinase 4, N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide | | 著者 | Weiss, M.M, Zheng, X, Browne, C.M, Campbell, V, Chen, D, Enerson, B, Fei, X, Huang, X, Klaus, C.R, Li, H, Mayo, M, McDonald, A.A, Paul, A, Sharma, K, Shi, Y, Slavin, A, Walter, D.M, Yuan, K, Zhang, Y, Zhu, X, Kelleher, J, Ji, N, Walker, D, Mainolfi, N. | | 登録日 | 2023-11-22 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Discovery of KT-413, a Targeted Protein Degrader of IRAK4 and IMiD Substrates Targeting MYD88 Mutant Diffuse Large B-Cell Lymphoma.
J.Med.Chem., 67, 2024
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4YVP
 | | Crystal Structure of AKR1C1 complexed with glibenclamide | | 分子名称: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Zhao, Y, Zheng, X, Zhang, H, Hu, X. | | 登録日 | 2015-03-20 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | In vitro inhibition of AKR1Cs by sulphonylureas and the structural basis
Chem.Biol.Interact., 240, 2015
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8EU3
 | | Cryo-EM structure of cGMP bound human CNGA3/CNGB3 channel in GDN, transition state 1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ... | | 著者 | Hu, Z, Zheng, X, Yang, J. | | 登録日 | 2022-10-18 | | 公開日 | 2023-08-02 | | 実験手法 | ELECTRON MICROSCOPY (3.62 Å) | | 主引用文献 | Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat Commun, 14, 2023
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8ETP
 | | Cryo-EM structure of cGMP bound closed state of human CNGA3/CNGB3 channel in GDN | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ... | | 著者 | Hu, Z, Zheng, X, Yang, J. | | 登録日 | 2022-10-17 | | 公開日 | 2023-08-02 | | 実験手法 | ELECTRON MICROSCOPY (3.52 Å) | | 主引用文献 | Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat Commun, 14, 2023
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8EUC
 | | Cryo-EM structure of cGMP bound human CNGA3/CNGB3 channel in GDN, transition state 2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLIC GUANOSINE MONOPHOSPHATE, Cyclic nucleotide-gated cation channel alpha-3, ... | | 著者 | Hu, Z, Zheng, X, Yang, J. | | 登録日 | 2022-10-18 | | 公開日 | 2023-08-09 | | 実験手法 | ELECTRON MICROSCOPY (3.61 Å) | | 主引用文献 | Conformational trajectory of allosteric gating of the human cone photoreceptor cyclic nucleotide-gated channel.
Nat Commun, 14, 2023
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2KW1
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5JLE
 | | Crystal structure of SETD2 bound to SAH | | 分子名称: | Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION | | 著者 | Li, H, Yang, S, Zheng, X. | | 登録日 | 2016-04-27 | | 公開日 | 2016-11-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Molecular basis for oncohistone H3 recognition by SETD2 methyltransferase
Genes Dev., 30, 2016
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5JJY
 | | Crystal structure of SETD2 bound to histone H3.3 K36M peptide | | 分子名称: | Histone H3.3, Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Yang, S, Zheng, X, Li, H. | | 登録日 | 2016-04-25 | | 公開日 | 2016-11-02 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.053 Å) | | 主引用文献 | Molecular basis for oncohistone H3 recognition by SETD2 methyltransferase
Genes Dev., 30, 2016
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5B73
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4EQK
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4ES5
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4EHQ
 | | Crystal Structure of Calmodulin Binding Domain of Orai1 in Complex with Ca2+/Calmodulin Displays a Unique Binding Mode | | 分子名称: | CALCIUM ION, Calcium release-activated calcium channel protein 1, Calmodulin, ... | | 著者 | Liu, Y, Zheng, X, Mueller, G.A, Sobhany, M, DeRose, E.F, Zhang, Y, London, R.E, Birnbaumer, L. | | 登録日 | 2012-04-03 | | 公開日 | 2012-11-07 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.9005 Å) | | 主引用文献 | Crystal structure of calmodulin binding domain of orai1 in complex with ca2+*calmodulin displays a unique binding mode.
J.Biol.Chem., 287, 2012
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