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3RX3
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BU of 3rx3 by Molmil
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2023-11-01
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
6A7B
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BU of 6a7b by Molmil
AKR1C3 complexed with new inhibitor with novel scaffold
分子名称: (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 C3, DIMETHYLFORMAMIDE, ...
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2023-11-22
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
6A7A
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BU of 6a7a by Molmil
AKR1C1 complexed with new inhibitor with novel scaffold
分子名称: (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
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2023-11-22
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
3R3I
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BU of 3r3i by Molmil
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2023-09-13
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
6JIF
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BU of 6jif by Molmil
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
最終更新日2023-11-22
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
6IPX
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BU of 6ipx by Molmil
Crystal structure of the apo form transcription factor
分子名称: AimR transcriptional regulator
著者Oy, S.Y, Zhen, X, Zhou, H, Ding, W.
登録日2018-11-05
公開日2019-01-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.634 Å)
主引用文献Structural basis of AimP signaling molecule recognition by AimR in Spbeta group of bacteriophages.
Protein Cell, 10, 2019
5H5P
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BU of 5h5p by Molmil
Crystal structure of Myelin-gene Regulatory Factor DNA binding domain
分子名称: Myelin regulatory factor
著者Shi, N, Zhen, X, Li, B.
登録日2016-11-09
公開日2017-06-28
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.461 Å)
主引用文献Crystal structure of the DNA-binding domain of Myelin-gene Regulatory Factor.
Sci Rep, 7, 2017
8IFO
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BU of 8ifo by Molmil
Crystal structure of estrogen related receptor-gamma DNA binding domain complexed with Pla2g12b promoter
分子名称: DNA (5'-D(*GP*AP*GP*GP*AP*CP*AP*AP*AP*GP*GP*TP*GP*AP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*TP*CP*AP*CP*CP*TP*TP*TP*GP*TP*CP*CP*TP*C)-3'), Estrogen-related receptor gamma, ...
著者Xu, T, Zhen, X, Liu, J.
登録日2023-02-19
公開日2023-03-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献ERR gamma-DBD undergoes dimerization and conformational rearrangement upon binding to the downstream site of the DR1 element.
Biochem.Biophys.Res.Commun., 656, 2023
8JKZ
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BU of 8jkz by Molmil
Cryo-EM structure of the prokaryotic SPARSA system complex
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Piwi domain protein, Sir2 superfamily protein
著者Xu, X, Zhen, X, Long, F.
登録日2023-06-02
公開日2024-01-24
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural basis of antiphage immunity generated by a prokaryotic Argonaute-associated SPARSA system.
Nat Commun, 15, 2024
8JL0
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BU of 8jl0 by Molmil
Cryo-EM structure of the prokaryotic SPARSA system complex
分子名称: DNA (5'-D(P*AP*CP*GP*AP*CP*GP*TP*CP*TP*AP*AP*GP*AP*AP*AP*CP*CP*AP*TP*TP*AP*T)-3'), NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Piwi domain protein, ...
著者Xu, X, Zhen, X, Long, F.
登録日2023-06-02
公開日2024-01-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural basis of antiphage immunity generated by a prokaryotic Argonaute-associated SPARSA system.
Nat Commun, 15, 2024
7D55
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BU of 7d55 by Molmil
Crystal structure of lys170 CBD
分子名称: Putative N-acetylmuramoyl-L-alanine amidase
著者Zhen, X.
登録日2020-09-25
公開日2021-06-09
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.397 Å)
主引用文献Structural and biochemical analyses of the tetrameric cell binding domain of Lys170 from enterococcal phage F170/08.
Eur.Biophys.J., 50, 2021
7XUX
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BU of 7xux by Molmil
Crystal structure of a FIC domain containnig protein
分子名称: Fido domain-containing protein
著者Zhen, X, Ouyang, S.
登録日2022-05-20
公開日2022-12-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A secreted effector with a dual role as a toxin and as a transcriptional factor.
Nat Commun, 13, 2022
7W54
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BU of 7w54 by Molmil
Crystal structure of a bacterial OTU DUB with Ub-PA
分子名称: Lpg2248, Polyubiquitin-B, prop-2-en-1-amine
著者Zhen, X, Ouyang, S.Y.
登録日2021-11-29
公開日2022-08-24
最終更新日2023-04-05
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structural basis for the dual catalytic activity of the Legionella pneumophila ovarian tumor (OTU) domain deubiquitinase LotA.
J.Biol.Chem., 298, 2022
7WCF
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BU of 7wcf by Molmil
Crystal structure of the kinase with AMP-PNP
分子名称: HipA_C domain-containing protein, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Ouyang, S.Y, Zhen, X.
登録日2021-12-20
公開日2022-06-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.3636 Å)
主引用文献Molecular mechanism of toxin neutralization in the HipBST toxin-antitoxin system of Legionella pneumophila.
Nat Commun, 13, 2022
2EXX
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BU of 2exx by Molmil
Crystal structure of HSCARG from Homo sapiens in complex with NADP
分子名称: GLYCEROL, HSCARG protein, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
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
4LVG
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BU of 4lvg by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
著者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.
登録日2013-07-26
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献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
4M6P
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BU of 4m6p by Molmil
Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: N-[4-(phenylsulfonyl)benzyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者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.
登録日2013-08-10
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
4M6Q
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BU of 4m6q by Molmil
Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1-(5-O-phosphono-beta-D-ribofuranosyl)-N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ...
著者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.
登録日2013-08-10
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.406 Å)
主引用文献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
4LVD
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BU of 4lvd by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, N-(4-nitrophenyl)cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ...
著者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.
登録日2013-07-26
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
4LVB
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BU of 4lvb by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, N-[4-(acetylamino)phenyl]cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ...
著者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.
登録日2013-07-26
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.836 Å)
主引用文献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
4LV9
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Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, 7-chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ...
著者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.
登録日2013-07-26
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.807 Å)
主引用文献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
4LVF
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BU of 4lvf by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ...
著者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.
登録日2013-07-26
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献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
5EIB
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Crystal structure of CPAP PN2-3 C-terminal loop-helix in complex with DARPin-tubulin
分子名称: Designed ankyrin repeat protein, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Li, H, Zheng, X.
登録日2015-10-29
公開日2016-10-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular basis for CPAP-tubulin interaction in controlling centriolar and ciliary length
Nat Commun, 7, 2016
4LVA
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BU of 4lva by Molmil
Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT)
分子名称: 1,2-ETHANEDIOL, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ...
著者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.
登録日2013-07-26
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
4MPZ
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Crystal structure of TCP10c domain of Drosophila melanogaster Sas-4
分子名称: IMIDAZOLE, Sas-4
著者Li, H, Zheng, X.
登録日2013-09-14
公開日2014-01-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献The conserved TCP domain of Sas-4/CPAP is essential for Peri-centriolar material tethering during centrosome biogenesis
Proc.Natl.Acad.Sci.USA, 2014

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