4U5V
| IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | Descriptor: | Importin subunit alpha-1, N~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-L-lysinamide | Authors: | Stewart, M, Valkov, E, Holvey, R.S. | Deposit date: | 2014-07-25 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.968 Å) | Cite: | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design. Chemmedchem, 10, 2015
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4U54
| IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | Descriptor: | Importin subunit alpha-1, N-methyl-1-[3-(pyridin-3-yl)phenyl]methanamine | Authors: | Stewart, M, Valkov, E, Holvey, R.S. | Deposit date: | 2014-07-24 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design. Chemmedchem, 10, 2015
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4U5U
| IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | Descriptor: | Importin subunit alpha-1, N~2~-[3-(pyridin-3-yl)benzyl]-L-lysinamide | Authors: | Stewart, M, Valkov, E, Holvey, R.S. | Deposit date: | 2014-07-25 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design. Chemmedchem, 10, 2015
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4U5N
| IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | Descriptor: | Importin subunit alpha-1, N~2~-[4-(pyridin-3-yl)benzyl]-L-lysyl-N-[(1R,2S,3R)-1-{[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino}-1,3-dihydroxybutan-2-yl]glycinamide | Authors: | Stewart, M, Valkov, E, Holvey, R.S. | Deposit date: | 2014-07-25 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design. Chemmedchem, 10, 2015
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4U5S
| IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | Descriptor: | Importin subunit alpha-1, N-[(2S)-2-[(N~2~-acetyl-D-lysyl)amino]-3-(pyridin-3-ylmethoxy)propyl]-L-allothreonyl-D-phenylalaninamide | Authors: | Stewart, M, Valkov, E, Holvey, R.S. | Deposit date: | 2014-07-25 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design. Chemmedchem, 10, 2015
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4U58
| IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | Descriptor: | Importin subunit alpha-1, N~2~-[4-(pyridin-3-yl)benzoyl]-L-lysinamide | Authors: | Stewart, M, Valkov, E, Holvey, R.S. | Deposit date: | 2014-07-24 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design. Chemmedchem, 10, 2015
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4U5O
| IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR | Descriptor: | Importin subunit alpha-1, N~2~-[4-(pyridin-3-yl)benzyl]-D-lysinamide | Authors: | Stewart, M, Valkov, E, Holvey, R.S. | Deposit date: | 2014-07-25 | Release date: | 2015-05-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design. Chemmedchem, 10, 2015
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6UH7
| EV-A71 strain 11316 complexed with MADAL compound 30 | Descriptor: | SPHINGOSINE, VP1, VP2, ... | Authors: | Lee, H, Hafenstein, S. | Deposit date: | 2019-09-26 | Release date: | 2019-12-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors. J.Med.Chem., 63, 2020
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6UH6
| EV-A71 strain 11316 complexed with MADAL compound 22 | Descriptor: | SPHINGOSINE, VP1, VP2, ... | Authors: | Lee, H, Hafenstein, S. | Deposit date: | 2019-09-26 | Release date: | 2019-12-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors. J.Med.Chem., 63, 2020
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8QIX
| Structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with inhibitor | Descriptor: | 3-(3-methylindol-1-yl)-~{N}-(4-phenoxyphenyl)sulfonyl-propanamide, Phosphopantetheine adenylyltransferase | Authors: | Thomas, S.E, McCarthy, W.J, Coyne, A.G, Blundell, T.L. | Deposit date: | 2023-09-12 | Release date: | 2024-07-24 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.579 Å) | Cite: | A Fragment-Based Competitive 19 F LB-NMR Platform For Hotspot-Directed Ligand Profiling. Angew.Chem.Int.Ed.Engl., 63, 2024
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5JPX
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6VS9
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6VSE
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6VV8
| Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB285 | Descriptor: | 5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.683 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6VS5
| Mycobacterium tuberculosis dihydrofolate reductase in complex with 5-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid (fragment 1) | Descriptor: | 5-methyl-1-phenyl-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Tyrakis, P, Blundell, T, Dias, M.V.B. | Deposit date: | 2020-02-10 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.758 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6VVB
| Mycobacterium tuberculosis dihydrofolate reductase in complex with 6-methyl-5-(4-phenylthiazol-2-yl)-2- (trifluoromethyl)nicotinic acid (fragment 10) | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, 6-methyl-5-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)pyridine-3-carboxylic acid, Dihydrofolate reductase, ... | Authors: | Tyrakis, P, Dias, M.V.B. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6VV9
| Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB300 | Descriptor: | 5-[4-(1H-indol-3-yl)butoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6VS8
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6VSF
| Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxobutanoic acid(fragment 16) | Descriptor: | 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Dias, M.V.B. | Deposit date: | 2020-02-11 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.012 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6UH1
| Structure of the EVA71 strain 11316 capsid | Descriptor: | SPHINGOSINE, VP1, VP2, ... | Authors: | Lee, H, Hafenstein, S. | Deposit date: | 2019-09-26 | Release date: | 2019-12-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.04 Å) | Cite: | Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors. J.Med.Chem., 63, 2020
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6VS6
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6VV6
| Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB113 | Descriptor: | 1-(4-fluorophenyl)-5-[3-(1H-indol-3-yl)propoxy]-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Dias, M.V.B, Chaves-Pacheco, S.M. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.235 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6VSD
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6VSG
| Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(trifluoromethyl)benzene-1,2-diamine(fragment 17) | Descriptor: | 4-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Dias, M.V.B. | Deposit date: | 2020-02-11 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.304 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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6VV7
| Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB136 | Descriptor: | 5-[3-(5-methyl-1H-indol-3-yl)propoxy]-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Ribeiro, J.A, Dias, M.V.B, Chavez-Pacheco, S.M. | Deposit date: | 2020-02-17 | Release date: | 2020-07-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis. Acs Infect Dis., 6, 2020
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