3ET3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3et3 by Molmil](/molmil-images/mine/3et3) | |
4N9B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n9b by Molmil](/molmil-images/mine/4n9b) | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1-methyl-N-(pyridin-3-yl)-1H-pyrazole-5-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhai, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | Deposit date: | 2013-10-20 | Release date: | 2014-02-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.859 Å) | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
|
|
4N9D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n9d by Molmil](/molmil-images/mine/4n9d) | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 1,2-ETHANEDIOL, 4-({[(4-tert-butylphenyl)sulfonyl]amino}methyl)-N-(pyridin-3-yl)benzamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | Deposit date: | 2013-10-20 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
|
|
4LVD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
4LVB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|
4LTS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lts by Molmil](/molmil-images/mine/4lts) | Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | Descriptor: | 1,2-ETHANEDIOL, 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine, Nicotinamide phosphoribosyltransferase, ... | Authors: | 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. | Deposit date: | 2013-07-23 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.692 Å) | Cite: | Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
|
|
5AD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ad3 by Molmil](/molmil-images/mine/5ad3) | Bivalent binding to BET bromodomains | Descriptor: | 3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | Deposit date: | 2015-08-19 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains Nat.Chem.Biol., 12, 2016
|
|
3ET0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3et0 by Molmil](/molmil-images/mine/3et0) | |
3ET1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3et1 by Molmil](/molmil-images/mine/3et1) | |
5BKF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bkf by Molmil](/molmil-images/mine/5bkf) | Cyro-EM structure of human Glycine Receptor alpha2-beta heteromer, Glycine bound, desensitized state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alpha-2, ... | Authors: | Yu, H, Wang, W. | Deposit date: | 2021-03-19 | Release date: | 2021-09-08 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Characterization of the subunit composition and structure of adult human glycine receptors Neuron, 109, 2021
|
|
5BKG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bkg by Molmil](/molmil-images/mine/5bkg) | Cyro-EM structure of human Glycine Receptor alpha2-beta heteromer, glycine bound, (semi)open state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCINE, Glycine receptor subunit alpha-2, ... | Authors: | Yu, H, Wang, W. | Deposit date: | 2021-03-19 | Release date: | 2021-09-08 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Characterization of the subunit composition and structure of adult human glycine receptors Neuron, 109, 2021
|
|
4N9C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n9c by Molmil](/molmil-images/mine/4n9c) | Fragment-based Design of 3-Aminopyridine-derived Amides as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | Descriptor: | 5-nitro-1H-benzimidazole, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Dragovich, P.S, Zhao, G, Baumeister, T, Bravo, B, Giannetti, A.M, Ho, Y, Hua, R, Li, G, Liang, X, O'Brien, T, Skelton, N.J, Wang, C, Zhao, Q, Oh, A, Wang, W, Wang, Y, Xiao, Y, Yuen, P, Zak, M, Zheng, X. | Deposit date: | 2013-10-20 | Release date: | 2014-02-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). Bioorg.Med.Chem.Lett., 24, 2014
|
|
4LVA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lva by Molmil](/molmil-images/mine/4lva) | 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-{[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, ... | 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 (1.55 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
|
|
8IVH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8ivh by Molmil](/molmil-images/mine/8ivh) | crystal structure of SulE mutant | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Liu, B, He, J, Ran, T, Wang, W. | Deposit date: | 2023-03-27 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | crystal structure of SulE mutant To Be Published
|
|
8IW8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8iw8 by Molmil](/molmil-images/mine/8iw8) | |
8J7J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j7j by Molmil](/molmil-images/mine/8j7j) | crystal structure of SulE mutant | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Liu, B, He, J, Ran, T, Wang, W. | Deposit date: | 2023-04-27 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity. Nat Commun, 14, 2023
|
|
8J7G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j7g by Molmil](/molmil-images/mine/8j7g) | crystal structure of SulE mutant | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Liu, B, He, J, Ran, T, Wang, W. | Deposit date: | 2023-04-27 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity. Nat Commun, 14, 2023
|
|
8J7K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j7k by Molmil](/molmil-images/mine/8j7k) | crystal structure of SulE mutant | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Liu, B, He, J, Ran, T, Wang, W. | Deposit date: | 2023-04-27 | Release date: | 2023-08-02 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Crystal structures of herbicide-detoxifying esterase reveal a lid loop affecting substrate binding and activity. Nat Commun, 14, 2023
|
|
6D5Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d5y by Molmil](/molmil-images/mine/6d5y) | Crystal structure of ERK2 G169D mutant | Descriptor: | Mitogen-activated protein kinase 1 | Authors: | Yin, J, Jaiswal, B.S, Wang, W. | Deposit date: | 2018-04-19 | Release date: | 2019-02-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | ERK Mutations and Amplification Confer Resistance to ERK-Inhibitor Therapy. Clin. Cancer Res., 24, 2018
|
|
8J7I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j7i by Molmil](/molmil-images/mine/8j7i) | crystal structure of SulE mutant | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Liu, B, He, J, Ran, T, Wang, W. | Deposit date: | 2023-04-27 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | crystal structure of SulE mutant To Be Published
|
|
8J7L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8j7l by Molmil](/molmil-images/mine/8j7l) | crystal structure of SulE mutant | Descriptor: | Alpha/beta fold hydrolase, GLYCEROL, L(+)-TARTARIC ACID, ... | Authors: | Liu, B, He, J, Ran, T, Wang, W. | Deposit date: | 2023-04-27 | Release date: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | crystal structure of SulE mutant To Be Published
|
|
6CQF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cqf by Molmil](/molmil-images/mine/6cqf) | Crystal structure of HPK1 in complex an inhibitor G1858 | Descriptor: | Mitogen-activated protein kinase kinase kinase kinase 1, N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine | Authors: | Wu, P, Lehoux, I, Mortara, K, Franke, Y, Chan, B.K, Wang, W. | Deposit date: | 2018-03-15 | Release date: | 2018-12-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.246 Å) | Cite: | Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer. Structure, 27, 2019
|
|
6CQD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cqd by Molmil](/molmil-images/mine/6cqd) | Crystal structure of HPK1 in complex with ATP analogue (AMPPNP) | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Wu, P, Lehoux, I, Franke, Y, Mortara, K, Wang, W. | Deposit date: | 2018-03-14 | Release date: | 2018-12-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Hematopoietic Progenitor Kinase-1 Structure in a Domain-Swapped Dimer. Structure, 27, 2019
|
|
2AI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ai2 by Molmil](/molmil-images/mine/2ai2) | Purine nucleoside phosphorylase from calf spleen | Descriptor: | ((2S,3AS,4R,6S)-4-(HYDROXYMETHYL)-6-(4-OXO-4,5-DIHYDRO-3H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-TETRAHYDROFURO[3,4-D][1,3]DIOXO L-2-YL)METHYLPHOSPHONIC ACID, MAGNESIUM ION, Purine nucleoside phosphorylase, ... | Authors: | Toms, A.V, Wang, W, Li, Y, Ganem, B, Ealick, S.E. | Deposit date: | 2005-07-28 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Novel multisubstrate inhibitors of mammalian purine nucleoside phosphorylase. Acta Crystallogr.,Sect.D, 61, 2005
|
|
2ATG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2atg by Molmil](/molmil-images/mine/2atg) | NMR structure of Retrocyclin-2 in SDS | Descriptor: | Retrocyclin-2 | Authors: | Daly, N.L, Chen, Y.K, Rosengren, K.J, Marx, U.C, Phillips, M.L, Waring, A.J, Wang, W, Lehrer, R.I, Craik, D.J. | Deposit date: | 2005-08-24 | Release date: | 2005-09-06 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Retrocyclin-2: structural analysis of a potent anti-HIV theta-defensin Biochemistry, 46, 2007
|
|