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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
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
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
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
1LVQ
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BU of 1lvq by Molmil
IC3 of CB1 Bound to G(alpha)i
分子名称: Cannabinoid receptor 1
著者Ulfers, A.L, McMurry, J.L, Miller, A, Wang, L, Kendall, D.A, Mierke, D.F.
登録日2002-05-29
公開日2002-12-11
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Cannabinoid receptor-G protein interactions: G(alphai1)-bound structures of IC3 and a mutant with altered G protein specificity.
Protein Sci., 11, 2002
1SPB
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BU of 1spb by Molmil
SUBTILISIN BPN' PROSEGMENT (77 RESIDUES) COMPLEXED WITH A MUTANT SUBTILISIN BPN' (266 RESIDUES). CRYSTAL PH 4.6. CRYSTALLIZATION TEMPERATURE 20 C DIFFRACTION TEMPERATURE-160 C
分子名称: SODIUM ION, SUBTILISIN BPN', SUBTILISIN BPN' PROSEGMENT
著者Gallagher, D.T, Gilliland, G.L, Wang, L, Bryan, P.N.
登録日1995-06-21
公開日1995-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The prosegment-subtilisin BPN' complex: crystal structure of a specific 'foldase'.
Structure, 3, 1995
1T6H
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BU of 1t6h by Molmil
Crystal Structure T4 Lysozyme incorporating an unnatural amino acid p-iodo-L-phenylalanine at position 153
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme
著者Spraggon, G, Xie, J, Wang, L, Wu, N, Brock, A, Schultz, P.G.
登録日2004-05-06
公開日2004-10-26
最終更新日2018-02-14
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献The site-specific incorporation of p-iodo-L-phenylalanine into proteins for structure determination.
Nat.Biotechnol., 22, 2004
1OS5
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BU of 1os5 by Molmil
Crystal structure of HCV NS5B RNA polymerase complexed with a novel non-competitive inhibitor.
分子名称: 3-(4-AMINO-2-TERT-BUTYL-5-METHYL-PHENYLSULFANYL)-6-CYCLOPENTYL-4-HYDROXY-6-[2-(4-HYDROXY-PHENYL)-ETHYL]-5,6-DIHYDRO-PYRAN-2-ONE, Hepatitis C virus NS5B RNA polymerase
著者Love, R.A, Parge, H.E, Yu, X, Hickey, M.J, Diehl, W, Gao, J, Wriggers, H, Ekker, A, Wang, L, Thomson, J.A, Dragovich, P.S, Fuhrman, S.A.
登録日2003-03-18
公開日2004-03-18
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic identification of a noncompetitive inhibitor binding site on the hepatitis C virus NS5B RNA polymerase enzyme.
J.Virol., 77, 2003
4Z2B
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BU of 4z2b by Molmil
The structure of human PDE12 residues 161-609 in complex with GSK3036342A
分子名称: 1,2-ETHANEDIOL, 2',5'-phosphodiesterase 12, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Nolte, R.T, Wisely, B, Wang, L, Wood, E.R.
登録日2015-03-29
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors.
J.Biol.Chem., 290, 2015
4Z0V
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BU of 4z0v by Molmil
The structure of human PDE12 residues 161-609
分子名称: 2',5'-phosphodiesterase 12, GLYCEROL, MAGNESIUM ION
著者Nolte, R.T, Wisely, B, Wang, L, Wood, E.R.
登録日2015-03-26
公開日2015-06-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献The Role of Phosphodiesterase 12 (PDE12) as a Negative Regulator of the Innate Immune Response and the Discovery of Antiviral Inhibitors.
J.Biol.Chem., 290, 2015
2YNF
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BU of 2ynf by Molmil
HIV-1 Reverse Transcriptase Y188L mutant in complex with inhibitor GSK560
分子名称: 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ...
著者Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A.
登録日2012-10-14
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
1U7D
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BU of 1u7d by Molmil
crystal structure of apo M. jannashii tyrosyl-tRNA synthetase
分子名称: Tyrosyl-tRNA synthetase
著者Zhang, Y, Wang, L, Schultz, P.G, Wilson, I.A.
登録日2004-08-03
公開日2005-05-17
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structures of apo wild-type M. jannaschii tyrosyl-tRNA synthetase (TyrRS) and an engineered TyrRS specific for O-methyl-L-tyrosine.
Protein Sci., 14, 2005
3J1F
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BU of 3j1f by Molmil
Cryo-EM structure of 9-fold symmetric rATcpn-beta in ATP-binding state
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Chaperonin beta subunit, MAGNESIUM ION
著者Zhang, K, Wang, L, Liu, Y.X, Wang, X, Gao, B, Hu, Z.J, Ji, G, Chan, K.Y, Schulten, K, Dong, Z.Y, Sun, F.
登録日2012-02-06
公開日2013-08-07
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献Flexible interwoven termini determine the thermal stability of thermosomes.
Protein Cell, 4, 2013
3J1E
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BU of 3j1e by Molmil
Cryo-EM structure of 9-fold symmetric rATcpn-beta in apo state
分子名称: Chaperonin beta subunit
著者Zhang, K, Wang, L, Liu, Y.X, Wang, X, Gao, B, Hu, Z.J, Ji, G, Chan, K.Y, Schulten, K, Dong, Z.Y, Sun, F.
登録日2012-02-06
公開日2013-08-07
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (8.3 Å)
主引用文献Flexible interwoven termini determine the thermal stability of thermosomes.
Protein Cell, 4, 2013
3J1B
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BU of 3j1b by Molmil
Cryo-EM structure of 8-fold symmetric rATcpn-alpha in apo state
分子名称: Chaperonin alpha subunit
著者Zhang, K, Wang, L, Liu, Y.X, Wang, X, Gao, B, Hu, Z.J, Ji, G, Chan, K.Y, Schulten, K, Dong, Z.Y, Sun, F.
登録日2012-02-06
公開日2013-08-07
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (4.9 Å)
主引用文献Flexible interwoven termini determine the thermal stability of thermosomes.
Protein Cell, 4, 2013
3J1C
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BU of 3j1c by Molmil
Cryo-EM structure of 9-fold symmetric rATcpn-alpha in apo state
分子名称: Chaperonin alpha subunit
著者Zhang, K, Wang, L, Liu, Y.X, Wang, X, Gao, B, Hu, Z.J, Ji, G, Chan, K.Y, Schulten, K, Dong, Z.Y, Sun, F.
登録日2012-02-06
公開日2013-08-07
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (9.1 Å)
主引用文献Flexible interwoven termini determine the thermal stability of thermosomes.
Protein Cell, 4, 2013
2YNI
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BU of 2yni by Molmil
HIV-1 Reverse Transcriptase in complex with inhibitor GSK952
分子名称: 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, MAGNESIUM ION, ...
著者Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A.
登録日2012-10-15
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
2YNG
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BU of 2yng by Molmil
HIV-1 Reverse Transcriptase in complex with inhibitor GSK560
分子名称: 2-azanyl-N-[[4-bromanyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-4-chloranyl-1H-imidazole-5-carboxamide, MAGNESIUM ION, P51 RT, ...
著者Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A.
登録日2012-10-14
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
7BU1
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BU of 7bu1 by Molmil
Crystal structure of TrmO from Pseudomonas aeruginosa
分子名称: Putative tRNA (Adenine(37)-N6)-methyltransferase, S-ADENOSYLMETHIONINE
著者Fan, C.P, Wang, L, Hu, W.H, Yang, C.W.
登録日2020-04-03
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Crystal structure of TrmO from Pseudomonas aeruginosa
To Be Published
2YNH
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BU of 2ynh by Molmil
HIV-1 Reverse Transcriptase in complex with inhibitor GSK500
分子名称: 4-chloranyl-N-[[4-chloranyl-3-(3-chloranyl-5-cyano-phenoxy)-2-fluoranyl-phenyl]methyl]-2-(hydroxymethyl)-1H-imidazole-5-carboxamide, D(-)-TARTARIC ACID, P51 RT, ...
著者Chong, P, Sebahar, P, Youngman, M, Garrido, D, Zhang, H, Stewart, E.L, Nolte, R.T, Wang, L, Ferris, R.G, Edelstein, M, Weaver, K, Mathis, A, Peat, A.
登録日2012-10-14
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Rational Design of Potent Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase.
J.Med.Chem., 55, 2012
7BTZ
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BU of 7btz by Molmil
Crystal structure of TrmO
分子名称: Putative tRNA (Adenine(37)-N6)-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Fan, C.P, Wang, L, Hu, W.H, Yang, C.W.
登録日2020-04-03
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of TrmO from Pseudomonas aeruginosa
To Be Published
3FXJ
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BU of 3fxj by Molmil
Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Phosphate at 3 mM of Mn2+
分子名称: MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A
著者Hu, T, Wang, L, Wang, K, Jiang, H, Shen, X.
登録日2009-01-21
公開日2010-01-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for the Mn2+-dependent activation of human PPM1A
To be published
3FXK
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BU of 3fxk by Molmil
Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Phosphate at 10 mM of Mn2+
分子名称: MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A
著者Hu, T, Wang, L, Wang, K, Jiang, H, Shen, X.
登録日2009-01-21
公開日2010-01-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for the Mn2+-dependent activation of human PPM1A
To be published
7WT9
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BU of 7wt9 by Molmil
SARS-CoV-2 Omicron variant spike RBD in complex with Fab 9A8
分子名称: Heavy chain of Fab 9A8, Light chain of Fab 9A8, Spike glycoprotein
著者Wang, X, Wang, L.
登録日2022-02-04
公開日2023-06-07
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献A broader neutralizing antibody against all the current VOCs and VOIs targets unique epitope of SARS-CoV-2 RBD.
Cell Discov, 8, 2022
7WT7
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BU of 7wt7 by Molmil
SARS-CoV-2 Omicron variant spike in complex with Fab 9A8 (State 1)
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, Heavy chain of Fab 9A8, ...
著者Wang, X, Wang, L.
登録日2022-02-04
公開日2023-06-07
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献A broader neutralizing antibody against all the current VOCs and VOIs targets unique epitope of SARS-CoV-2 RBD.
Cell Discov, 8, 2022

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