4G2W
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![BU of 4g2w by Molmil](/molmil-images/mine/4g2w) | Crystal structure of PDE5A in complex with its inhibitor | Descriptor: | 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Ren, J, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-07-13 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5. J.Med.Chem., 55, 2012
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2V59
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![BU of 2v59 by Molmil](/molmil-images/mine/2v59) | |
2V58
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![BU of 2v58 by Molmil](/molmil-images/mine/2v58) | CRYSTAL STRUCTURE OF BIOTIN CARBOXYLASE FROM E.COLI IN COMPLEX WITH POTENT INHIBITOR 1 | Descriptor: | 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine, BIOTIN CARBOXYLASE, CHLORIDE ION | Authors: | Mochalkin, I, Miller, J.R. | Deposit date: | 2008-10-02 | Release date: | 2009-01-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Class of Selective Antibacterials Derived from a Protein Kinase Inhibitor Pharmacophore. Proc.Natl.Acad.Sci.USA, 106, 2009
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2V5A
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![BU of 2v5a by Molmil](/molmil-images/mine/2v5a) | |
4IA0
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![BU of 4ia0 by Molmil](/molmil-images/mine/4ia0) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Ren, J, Chen, T, Xu, Y. | Deposit date: | 2012-12-05 | Release date: | 2014-01-01 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. Bioorg.Med.Chem.Lett., 23, 2013
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6NM5
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![BU of 6nm5 by Molmil](/molmil-images/mine/6nm5) | F-pilus/MS2 Maturation protein complex | Descriptor: | (2R)-2,3-dihydroxypropyl ethyl hydrogen (S)-phosphate, Maturation protein, Type IV conjugative transfer system pilin TraA | Authors: | Meng, R, Chang, J, Zhang, J. | Deposit date: | 2019-01-10 | Release date: | 2019-07-24 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Structural basis for the adsorption of a single-stranded RNA bacteriophage. Nat Commun, 10, 2019
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7N3F
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![BU of 7n3f by Molmil](/molmil-images/mine/7n3f) | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C080 | Descriptor: | C080 Fab Heavy Chain, C080 Fab Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | Deposit date: | 2021-06-01 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
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7N3I
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![BU of 7n3i by Molmil](/molmil-images/mine/7n3i) | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with the human neutralizing antibody Fab fragment C098 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C098 Fab heavy chain, C098 Fab light chain, ... | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | Deposit date: | 2021-06-01 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
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7N3H
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![BU of 7n3h by Molmil](/molmil-images/mine/7n3h) | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C099 | Descriptor: | C099 Fab Heavy Chain, C099 Fab Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | Deposit date: | 2021-06-01 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
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7L0R
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![BU of 7l0r by Molmil](/molmil-images/mine/7l0r) | Structure of NTS-NTSR1-Gi complex in lipid nanodisc, noncanonical state, without AHD | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G. | Deposit date: | 2020-12-12 | Release date: | 2021-01-06 | Last modified: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs. Nat.Struct.Mol.Biol., 28, 2021
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7L0P
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![BU of 7l0p by Molmil](/molmil-images/mine/7l0p) | Structure of NTS-NTSR1-Gi complex in lipid nanodisc, canonical state, without AHD | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G. | Deposit date: | 2020-12-12 | Release date: | 2021-01-06 | Last modified: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs. Nat.Struct.Mol.Biol., 28, 2021
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7L0S
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![BU of 7l0s by Molmil](/molmil-images/mine/7l0s) | Structure of NTS-NTSR1-Gi complex in lipid nanodisc, noncanonical state, with AHD | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G. | Deposit date: | 2020-12-12 | Release date: | 2021-01-06 | Last modified: | 2021-03-24 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs. Nat.Struct.Mol.Biol., 28, 2021
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4IVO
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![BU of 4ivo by Molmil](/molmil-images/mine/4ivo) | Structure of human protoporphyrinogen IX oxidase(R59Q) | Descriptor: | 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Xiaohong, Q, Baifan, W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.597 Å) | Cite: | Quantitative structural insight into human variegate porphyria disease. J.Biol.Chem., 288, 2013
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7N3E
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![BU of 7n3e by Molmil](/molmil-images/mine/7n3e) | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C032 | Descriptor: | C032 Fab Heavy Chain, C032 Fab Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | Deposit date: | 2021-06-01 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
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7N3G
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![BU of 7n3g by Molmil](/molmil-images/mine/7n3g) | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment C098 | Descriptor: | C098 Fab Heavy Chain, C098 Fab Light Chain | Authors: | Flyak, A.I, Bjorkman, P.J, Barnes, C.O. | Deposit date: | 2021-06-01 | Release date: | 2021-08-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Affinity maturation of SARS-CoV-2 neutralizing antibodies confers potency, breadth, and resilience to viral escape mutations. Immunity, 54, 2021
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7L0Q
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![BU of 7l0q by Molmil](/molmil-images/mine/7l0q) | Structure of NTS-NTSR1-Gi complex in lipid nanodisc, canonical state, with AHD | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(T) subunit gamma-T1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhang, M, Gui, M, Wang, Z, Gorgulla, C, Yu, J.J, Wu, H, Sun, Z, Klenk, C, Merklinger, L, Morstein, L, Hagn, F, Pluckthun, A, Brown, A, Nasr, M.L, Wagner, G. | Deposit date: | 2020-12-12 | Release date: | 2021-01-06 | Last modified: | 2021-03-31 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | Cryo-EM structure of an activated GPCR-G protein complex in lipid nanodiscs. Nat.Struct.Mol.Biol., 28, 2021
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4OEW
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![BU of 4oew by Molmil](/molmil-images/mine/4oew) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 6-ethyl-5-iodo-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Ren, J, Xu, Y.C. | Deposit date: | 2014-01-14 | Release date: | 2015-04-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors. J.Med.Chem., 57, 2014
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4I9Z
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![BU of 4i9z by Molmil](/molmil-images/mine/4i9z) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 5-bromo-2-{5-[(4-methylpiperazin-1-yl)acetyl]-2-propoxyphenyl}-6-(propan-2-yl)pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | Authors: | Ren, J, Chen, T, Xu, Y. | Deposit date: | 2012-12-05 | Release date: | 2014-01-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. Bioorg.Med.Chem.Lett., 23, 2013
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4IVM
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![BU of 4ivm by Molmil](/molmil-images/mine/4ivm) | Structure of human protoporphyrinogen IX oxidase(R59G) | Descriptor: | 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Xiaohong, Q, Baifan, W. | Deposit date: | 2013-01-23 | Release date: | 2013-03-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.769 Å) | Cite: | Quantitative structural insight into human variegate porphyria disease. J.Biol.Chem., 288, 2013
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4LVG
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![BU of 4lvg by Molmil](/molmil-images/mine/4lvg) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | (1S,2S)-N-[4-(phenylsulfonyl)phenyl]-2-(pyridin-3-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | Authors: | 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. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | 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
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4M6Q
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![BU of 4m6q by Molmil](/molmil-images/mine/4m6q) | Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2013-08-10 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | 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
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4M6P
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![BU of 4m6p by Molmil](/molmil-images/mine/4m6p) | Identification of Amides Derived From 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | N-[4-(phenylsulfonyl)benzyl]-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | 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. | Deposit date: | 2013-08-10 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 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
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4LVD
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![BU of 4lvd by Molmil](/molmil-images/mine/4lvd) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, N-(4-nitrophenyl)cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | 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. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 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
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4OEX
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![BU of 4oex by Molmil](/molmil-images/mine/4oex) | Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors | Descriptor: | 6-ethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Chen, T.T, Ren, J, Xu, Y.C. | Deposit date: | 2014-01-14 | Release date: | 2015-04-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors. J.Med.Chem., 57, 2014
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4LVB
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![BU of 4lvb by Molmil](/molmil-images/mine/4lvb) | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, N-[4-(acetylamino)phenyl]cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | 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. | Deposit date: | 2013-07-26 | Release date: | 2013-09-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.836 Å) | Cite: | 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
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