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4KFO
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BU of 4kfo by Molmil
Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
分子名称: 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ...
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2024-02-28
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
5GTX
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BU of 5gtx by Molmil
Crystal structure of mutated buckwheat glutaredoxin
分子名称: buckwheat glutaredoxin
著者Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H.
登録日2016-08-23
公開日2017-07-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
5WI9
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BU of 5wi9 by Molmil
Crystal structure of KL with an agonist Fab
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 39F7 Fab heavy chain, ...
著者Johnstone, S, Min, X, Wang, Z.
登録日2017-07-18
公開日2018-07-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Agonistic beta-Klotho antibody mimics fibroblast growth factor 21 (FGF21) functions.
J. Biol. Chem., 293, 2018
4KFN
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BU of 4kfn by Molmil
Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
分子名称: 1,2-ETHANEDIOL, N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
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2024-02-28
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
4LTS
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BU of 4lts by Molmil
Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
分子名称: 1,2-ETHANEDIOL, 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine, Nicotinamide phosphoribosyltransferase, ...
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2023-09-20
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
4EWH
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BU of 4ewh by Molmil
Co-crystal structure of ACK1 with inhibitor
分子名称: 6-{4-[2-(dimethylamino)ethoxy]phenyl}-N-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine, Activated CDC42 kinase 1
著者Liu, J, Walker, N, Wang, Z.
登録日2012-04-27
公開日2012-09-19
最終更新日2012-10-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
6UK5
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BU of 6uk5 by Molmil
Structure of SAM bound CalS10, an amino pentose methyltransferase from Micromonospora echinaspora involved in calicheamicin biosynthesis
分子名称: ACETATE ION, CalS10, DI(HYDROXYETHYL)ETHER, ...
著者Alvarado, S.K, Miller, M.D, Xu, W, Wang, Z, Van Lanen, S.G, Thorson, J.S, Phillips Jr, G.N.
登録日2019-10-04
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure of SAM bound CalS10, an amino pentose methyltransferase from Micromonospora echinaspora involved in calicheamicin biosynthesis
To Be Published
6U6X
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BU of 6u6x by Molmil
Human SAMHD1 bound to deoxyribo(C*G*C*C*T)-oligonucleotide
分子名称: DNA SC-GS-SC-SC-DT, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ZINC ION
著者Taylor, A.B, Bhattacharya, A, Wang, Z, Ivanov, D.N.
登録日2019-08-30
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
6U6Y
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BU of 6u6y by Molmil
Human SAMHD1 bound to ribo(CGCCU)-oligonucleotide
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, RNA CGCCU, ...
著者Taylor, A.B, Bhattacharya, A, Wang, Z, Ivanov, D.N.
登録日2019-08-30
公開日2020-09-02
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Nucleic acid binding by SAMHD1 contributes to the antiretroviral activity and is enhanced by the GpsN modification.
Nat Commun, 12, 2021
6V3F
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BU of 6v3f by Molmil
Structure of NPC1-like intracellular cholesterol transporter 1 (NPC1L1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ...
著者Huang, C.S, Yu, X, Min, X, Wang, Z.
登録日2019-11-25
公開日2020-07-01
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structures of NPC1L1 reveal mechanisms of cholesterol transport and ezetimibe inhibition
Sci Adv, 6, 2020
5C01
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BU of 5c01 by Molmil
Crystal Structure of kinase
分子名称: 1,2-ETHANEDIOL, GLYCEROL, NON-RECEPTOR TYROSINE-PROTEIN KINASE TYK2, ...
著者Min, X, Wang, Z, Walker, N.
登録日2015-06-12
公開日2015-09-16
最終更新日2015-11-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Functional Characterization of the JH2 Pseudokinase Domain of JAK Family Tyrosine Kinase 2 (TYK2).
J.Biol.Chem., 290, 2015
6UWD
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BU of 6uwd by Molmil
Crystal structure of Apo AtmM
分子名称: ACETATE ION, D-glucose O-methyltransferase, MAGNESIUM ION
著者Alvarado, S.K, Wang, Z, Miller, M.D, Thorson, J.S, Phillips Jr, G.N.
登録日2019-11-05
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Structure of Apo AtmM
To Be Published
5C03
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BU of 5c03 by Molmil
Crystal Structure of kinase
分子名称: 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ...
著者Min, X, Wang, Z, Walker, N.
登録日2015-06-12
公開日2015-09-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and Functional Characterization of the JH2 Pseudokinase Domain of JAK Family Tyrosine Kinase 2 (TYK2).
J.Biol.Chem., 290, 2015
6URT
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BU of 6urt by Molmil
Extended Sensor Paddles with Bound Lipids Revealed in Mechanosensitive Channel YnaI
分子名称: Low conductance mechanosensitive channel YnaI, O-{(R)-hydroxy[(2R)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-L-serine
著者Hu, W, Wang, Z, Zheng, H.
登録日2019-10-24
公開日2020-10-28
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Extended Sensor Paddles with Bound Lipids Revealed in Mechanosensitive Channel YnaI
To Be Published
5CO4
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BU of 5co4 by Molmil
Structural insights into the 2-OH methylation of C/U34 on tRNA
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, GLYCEROL, Putative tRNA (cytidine(34)-2'-O)-methyltransferase
著者Xie, W, Pang, P, Wang, Z.
登録日2015-07-19
公開日2016-07-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural insights into the 2-OH methylation of C34 or U34 on tRNA
To Be Published
4YND
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BU of 4ynd by Molmil
The Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2
分子名称: N-cyclohexyl-N~3~-[2-(3,4-dichlorophenyl)ethyl]-N-(2-{[(2R)-2-hydroxy-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-8-yl)ethyl]amino}ethyl)-beta-alaninamide, N-lysine methyltransferase SMYD2, S-ADENOSYLMETHIONINE, ...
著者Sweis, R.F, Wang, Z, Algire, M, Arrowsmith, C.H, Brown, P.J, Chiang, G.C, Guo, J, Jakob, C.G, Kennedy, S, Li, F, Soni, N.B, Vedadi, M, Pappano, W.N.
登録日2015-03-09
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Discovery of A-893, A New Cell-Active Benzoxazinone Inhibitor of Lysine Methyltransferase SMYD2.
Acs Med.Chem.Lett., 6, 2015
6V3H
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BU of 6v3h by Molmil
Structure of NPC1-like intracellular cholesterol transporter 1 (NPC1L1) in complex with an ezetimibe analog
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(2S,3R)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-1-(4-{3-[(methylsulfonyl)amino]prop-1-yn-1-yl}phenyl)-4-oxoazetidin-2-yl]phenyl beta-D-glucopyranosiduronic acid, ...
著者Huang, C.S, Yu, X, Min, X, Wang, Z.
登録日2019-11-25
公開日2020-07-01
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of NPC1L1 reveal mechanisms of cholesterol transport and ezetimibe inhibition
Sci Adv, 6, 2020
6UV6
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BU of 6uv6 by Molmil
AtmM with bound rebeccamycin analogue
分子名称: 12-beta-D-glucopyranosyl-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, D-glucose O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Alvarado, S.K, Wang, Z, Miller, M.D, Thorson, J.S, Phillips Jr, G.N.
登録日2019-11-01
公開日2020-11-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structure of AtmM Bound with Glycosylated Indolocarbazole
To Be Published
4EYT
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BU of 4eyt by Molmil
Crystal structure of the C-terminal domain of Tetrahymena telomerase protein p65
分子名称: SULFATE ION, Telomerase associated protein p65
著者Singh, M, Wang, Z, Koo, B.-K, Patel, A, Cascio, D, Collins, K, Feigon, J.
登録日2012-05-01
公開日2012-06-20
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Basis for Telomerase RNA Recognition and RNP Assembly by the Holoenzyme La Family Protein p65.
Mol.Cell, 47, 2012
4JNM
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BU of 4jnm by Molmil
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
4DOU
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BU of 4dou by Molmil
Crystal Structure of a Single-chain Trimer of Human Adiponectin Globular Domain
分子名称: 1,2-ETHANEDIOL, Adiponectin, CALCIUM ION, ...
著者Min, X, Walker, N.P, Wang, Z.
登録日2012-02-10
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a single-chain trimer of human adiponectin globular domain.
Febs Lett., 586, 2012
4JR5
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BU of 4jr5 by Molmil
Structure-based Identification of Ureas as Novel Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
分子名称: 1,2-ETHANEDIOL, 1-[4-(piperidin-1-ylsulfonyl)phenyl]-3-(pyridin-3-ylmethyl)thiourea, Nicotinamide phosphoribosyltransferase, ...
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2024-02-28
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
4ERD
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BU of 4erd by Molmil
Crystal structure of the C-terminal domain of Tetrahymena telomerase protein p65 in complex with stem IV of telomerase RNA
分子名称: 5'-R(P*GP*GP*UP*CP*GP*AP*CP*AP*UP*CP*UP*UP*CP*GP*GP*AP*UP*GP*GP*AP*CP*C)-3', POTASSIUM ION, Telomerase associated protein p65
著者Singh, M, Wang, Z, Koo, B.-K, Patel, A, Cascio, D, Collins, K, Feigon, J.
登録日2012-04-19
公開日2012-06-20
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (2.589 Å)
主引用文献Structural Basis for Telomerase RNA Recognition and RNP Assembly by the Holoenzyme La Family Protein p65.
Mol.Cell, 47, 2012
5XE0
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BU of 5xe0 by Molmil
Crystal structure of EV-D68-3Dpol in complex with GTP
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Genome polyprotein
著者Xie, W, Wang, C, Wang, Z, Li, Q, Wang, C.
登録日2017-03-30
公開日2017-06-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structure and Thermostability Characterization of Enterovirus D68 3Dpol
J. Virol., 91, 2017
7JR7
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BU of 7jr7 by Molmil
Cryo-EM structure of ABCG5/G8 in complex with Fab 2E10 and 11F4
分子名称: ATP-binding cassette sub-family G member 5, ATP-binding cassette sub-family G member 8, Fab 11F4 heavy chain, ...
著者Huang, C.S, Yu, X, Min, X, Wang, Z, Zhang, H.
登録日2020-08-11
公開日2021-04-07
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryo-EM structure of ABCG5/G8 in complex with modulating antibodies
Commun Biol, 4, 2021

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