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4M6P
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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
3UIV
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BU of 3uiv by Molmil
Human serum albumin-myristate-amantadine hydrochloride complex
分子名称: (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine, MYRISTIC ACID, Serum albumin
著者Yang, F, Ma, Z, Ma, L, Yang, G.
登録日2011-11-06
公開日2012-11-07
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of the drug-binding specificity of human serum albumin
TO BE PUBLISHED
4LV9
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BU of 4lv9 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, 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
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
4K6H
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BU of 4k6h by Molmil
Crystal structure of CALB mutant L278M from Candida antarctica
分子名称: 1,2-ETHANEDIOL, Lipase B
著者An, J, Xie, Y, Feng, Y, Wu, G.
登録日2013-04-15
公開日2014-01-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Enhanced enzyme kinetic stability by increasing rigidity within the active site.
J.Biol.Chem., 289, 2014
4K6G
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BU of 4k6g by Molmil
Crystal structure of CALB from Candida antarctica
分子名称: 1,2-ETHANEDIOL, Lipase B
著者An, J, Xie, Y, Feng, Y, Wu, G.
登録日2013-04-15
公開日2014-01-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Enhanced enzyme kinetic stability by increasing rigidity within the active site.
J.Biol.Chem., 289, 2014
8KHU
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BU of 8khu by Molmil
Hepatitis B virus core protein Y132A mutant in complex with THPP derivatives 48
分子名称: (6~{S},7~{R})-6,7-dimethyl-3-(2-oxidanylidenepyrrolidin-1-yl)-~{N}-[3,4,5-tris(fluoranyl)phenyl]-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazine-5-carboxamide, Capsid protein, GLYCEROL, ...
著者Zhou, Z, Xu, Z.H.
登録日2023-08-22
公開日2023-10-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 4,5,6,7-Tetrahydropyrazolo[1.5-a]pyrizine Derivatives as Core Protein Allosteric Modulators (CpAMs) for the Inhibition of Hepatitis B Virus.
J.Med.Chem., 66, 2023
4K6K
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BU of 4k6k by Molmil
Crystal structure of CALB mutant D223G from Candida antarctica
分子名称: 1,2-ETHANEDIOL, Lipase B
著者An, J, Xie, Y, Feng, Y, Wu, G.
登録日2013-04-16
公開日2014-01-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Enhanced enzyme kinetic stability by increasing rigidity within the active site.
J.Biol.Chem., 289, 2014
4K5Q
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BU of 4k5q by Molmil
Crystal structure of CALB mutant DGLM from Candida antarctica
分子名称: Lipase B
著者An, J, Xie, Y, Feng, Y, Wu, G.
登録日2013-04-15
公開日2014-01-29
最終更新日2017-11-15
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Enhanced enzyme kinetic stability by increasing rigidity within the active site.
J.Biol.Chem., 289, 2014
8V2E
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BU of 8v2e by Molmil
Crystal structure of B055 scaffold boost immunogen in complex with a mature 10E8 Fab
分子名称: 10E8 EPITOPE SCAFFOLD B055, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody 10E8 FAB HEAVY CHAIN, ...
著者Cho, S.Y, Wilson, I.A.
登録日2023-11-22
公開日2024-06-12
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8U08
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BU of 8u08 by Molmil
Crystal structure of 10E8-GT11 scaffold in complex with a human 10E8 inferred germline (10E8-iGL1)
分子名称: 10E8-GT11 epitope scaffold, 10E8-IGL1 heavy chain, 10E8-IGL1 light chain, ...
著者Irimia, A, Wilson, I.A.
登録日2023-08-28
公開日2024-06-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8U03
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BU of 8u03 by Molmil
Crystal structure of non-glycosylated 10E8-GT10.1 scaffold in complex with a human 10E8 NGS precursor (10E8-NGS-03)
分子名称: 10E8-GT10.1 epitope scaffold, 10E8-NGS-03 Fab Light Chain, 10E8-NGS-03 Fab heavy chain, ...
著者Irimia, A, Wilson, I.A.
登録日2023-08-28
公開日2024-06-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8TZW
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BU of 8tzw by Molmil
Crystal structure of 10E8-GT4 scaffold in complex with a human 10E8 inferred germline (10E8-iGL1)
分子名称: 10E8-GT4 epitope scaffold, 10E8-IGL1 Fab Light Chain, 10E8-IGL1 Fab heavy chain
著者Irimia, A, Wilson, I.A.
登録日2023-08-28
公開日2024-06-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8TZN
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BU of 8tzn by Molmil
Crystal structure of 10E8-GT10.2 HIV-1 MPER scaffold in complex with a non-human primate W3-01 Fab
分子名称: 10E8-GT10.2 MPER scaffold, W3-01 Fab Heavy Chain, W3-01 Fab Light Chain
著者Lee, C.C.D, Wilson, I.A.
登録日2023-08-27
公開日2024-06-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Vaccination induces broadly neutralizing antibody precursors to HIV gp41.
Nat.Immunol., 25, 2024
8JD9
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BU of 8jd9 by Molmil
Cyro-EM structure of the Na+/H+ antipoter SOS1 from Arabidopsis thaliana,class1
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Sodium/hydrogen exchanger 7
著者Yang, G.H, Zhang, Y.M, Zhou, J.Q, Jia, Y.T, Xu, X, Fu, P, Wu, H.Y.
登録日2023-05-13
公開日2023-11-08
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Structural basis for the activity regulation of Salt Overly Sensitive 1 in Arabidopsis salt tolerance.
Nat.Plants, 9, 2023
8JDA
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BU of 8jda by Molmil
Cyro-EM structure of the Na+/H+ antipoter SOS1 from Arabidopsis thaliana,class2
分子名称: Sodium/hydrogen exchanger 7
著者Yang, G.H, Zhang, Y.M, Zhou, J.Q, Jia, Y.T, Xu, X, Fu, P, Wu, H.Y.
登録日2023-05-13
公開日2023-11-08
最終更新日2023-11-29
実験手法ELECTRON MICROSCOPY (3.67 Å)
主引用文献Structural basis for the activity regulation of Salt Overly Sensitive 1 in Arabidopsis salt tolerance.
Nat.Plants, 9, 2023
5FN4
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BU of 5fn4 by Molmil
Cryo-EM structure of gamma secretase in class 2 of the apo- state ensemble
分子名称: Gamma-secretase subunit APH-1A, Gamma-secretase subunit PEN-2, Nicastrin, ...
著者Bai, X.C, Rajendra, E, Yang, G.H, Shi, Y.G, Scheres, S.H.W.
登録日2015-11-10
公開日2015-12-16
最終更新日2019-09-11
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Sampling the conformational space of the catalytic subunit of human gamma-secretase.
Elife, 4, 2015
8WIJ
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BU of 8wij by Molmil
Crystal structure of E. coli ThrS catalytic domain mutant L489M in complex with Obafluorin
分子名称: N-(2,3-dihydroxybenzoyl)-4-(4-nitrophenyl)-L-threonine, Threonine--tRNA ligase, ZINC ION
著者Qiao, H, Wang, Z, Wang, J, Fang, P.
登録日2023-09-24
公開日2024-07-24
実験手法X-RAY DIFFRACTION (3.08 Å)
主引用文献Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Commun Biol, 7, 2024
8WIA
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BU of 8wia by Molmil
Crystal structure of E. coli ThrS catalytic domain mutant G463S
分子名称: Threonine--tRNA ligase, ZINC ION
著者Qiao, H, Wang, Z, Wang, J, Fang, P.
登録日2023-09-24
公開日2024-07-24
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Commun Biol, 7, 2024
8WIG
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BU of 8wig by Molmil
Crystal structure of E. coli ThrS catalytic domain mutant G463S/Q484A
分子名称: Threonine--tRNA ligase, ZINC ION
著者Qiao, H, Wang, Z, Wang, J, Fang, P.
登録日2023-09-24
公開日2024-07-24
実験手法X-RAY DIFFRACTION (3.22 Å)
主引用文献Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Commun Biol, 7, 2024
8WIH
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BU of 8wih by Molmil
Crystal structure of E. coli ThrS catalytic domain mutant G463A in complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Threonine--tRNA ligase, ZINC ION
著者Qiao, H, Wang, Z, Wang, J, Fang, P.
登録日2023-09-24
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Specific glycine-dependent enzyme motion determines the potency of conformation selective inhibitors of threonyl-tRNA synthetase.
Commun Biol, 7, 2024

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