3VQ7
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![BU of 3vq7 by Molmil](/molmil-images/mine/3vq7) | HIV-1 IN core domain in complex with 4-(1H-pyrrol-1-yl)aniline | Descriptor: | 4-(1H-pyrrol-1-yl)aniline, CADMIUM ION, POL polyprotein, ... | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | Deposit date: | 2012-03-20 | Release date: | 2013-01-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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3VQA
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![BU of 3vqa by Molmil](/molmil-images/mine/3vqa) | HIV-1 IN core domain in complex with 1-benzothiophen-6-amine 1,1-dioxide | Descriptor: | 1-benzothiophen-6-amine 1,1-dioxide, CADMIUM ION, POL polyprotein, ... | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | Deposit date: | 2012-03-20 | Release date: | 2013-01-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification? J Biomol Screen, 18, 2013
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4Y1C
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![BU of 4y1c by Molmil](/molmil-images/mine/4y1c) | |
4Y1D
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![BU of 4y1d by Molmil](/molmil-images/mine/4y1d) | |
3AKM
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![BU of 3akm by Molmil](/molmil-images/mine/3akm) | X-ray structure of iFABP from human and rat with bound fluorescent fatty acid analogue | Descriptor: | 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid, Fatty acid-binding protein, intestinal, ... | Authors: | Wielens, J, Laguerre, A.J.K, Parker, M.W, Scanlon, M.J. | Deposit date: | 2010-07-14 | Release date: | 2011-07-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of human and rat intestinal fatty acid binding proteins in complex with 11-(Dansylamino)undecanoic acid To be Published
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3AKN
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![BU of 3akn by Molmil](/molmil-images/mine/3akn) | |
3WNG
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![BU of 3wng by Molmil](/molmil-images/mine/3wng) | |
3WNE
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![BU of 3wne by Molmil](/molmil-images/mine/3wne) | |
3WNH
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![BU of 3wnh by Molmil](/molmil-images/mine/3wnh) | |
3WNF
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![BU of 3wnf by Molmil](/molmil-images/mine/3wnf) | |
2MJI
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![BU of 2mji by Molmil](/molmil-images/mine/2mji) | HIFABP_Ketorolac_complex | Descriptor: | (1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid, Fatty acid-binding protein, intestinal | Authors: | Patil, R, Laguerre, A, Wielens, J, Headey, S, Williams, M, Mohanty, B, Porter, C, Scanlon, M. | Deposit date: | 2014-01-09 | Release date: | 2014-10-29 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Characterization of two distinct modes of drug binding to human intestinal Fatty Acid binding protein. Acs Chem.Biol., 9, 2014
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2ZNM
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![BU of 2znm by Molmil](/molmil-images/mine/2znm) | Oxidoreductase NmDsbA3 from Neisseria meningitidis | Descriptor: | Thiol:disulfide interchange protein DsbA | Authors: | Vivian, J.P, Scoullar, J, Robertson, A.L, Bottomley, S.P, Horne, J, Chin, Y, Velkov, T, Wielens, J, Thompson, P.E, Piek, S, Byres, E, Beddoe, T, Wilce, M.C.J, Kahler, C, Rossjohn, J, Scanlon, M.J. | Deposit date: | 2008-04-30 | Release date: | 2008-08-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and Biochemical Characterization of the Oxidoreductase NmDsbA3 from Neisseria meningitidis J.Biol.Chem., 283, 2008
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3DKS
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![BU of 3dks by Molmil](/molmil-images/mine/3dks) | DsbA substrate complex | Descriptor: | Thiol:disulfide interchange protein dsbA, siga peptide | Authors: | Paxman, J.J, Borg, N.A, Horne, J, Rossjohn, J, Thompson, P.E, Piek, S, Kahler, C.M, Sakellaris, H, Scanlon, M.J. | Deposit date: | 2008-06-25 | Release date: | 2009-05-12 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The structure of the bacterial oxidoreductase enzyme DsbA in complex with a peptide reveals a basis for substrate specificity in the catalytic cycle of DsbA enzymes J.Biol.Chem., 284, 2009
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3KM6
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![BU of 3km6 by Molmil](/molmil-images/mine/3km6) | |
3KMO
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![BU of 3kmo by Molmil](/molmil-images/mine/3kmo) | |
3KMN
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![BU of 3kmn by Molmil](/molmil-images/mine/3kmn) | Crystal Structure of the Human Apo GST Pi C47S/Y108V Double Mutant | Descriptor: | CALCIUM ION, CARBONATE ION, Glutathione S-transferase P, ... | Authors: | Parker, L.J. | Deposit date: | 2009-11-11 | Release date: | 2010-03-23 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Diuretic drug binding to human glutathione transferase P1-1: potential role of CYS101 revealed in the double mutant C47S/Y108V to be published
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