3WNE
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![BU of 3wne by Molmil](/molmil-images/mine/3wne) | |
5DCG
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![BU of 5dcg by Molmil](/molmil-images/mine/5dcg) | |
6PRO
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![BU of 6pro by Molmil](/molmil-images/mine/6pro) | MnSOD from Geobacillus stearothermophilus | Descriptor: | MANGANESE (II) ION, Superoxide dismutase | Authors: | Adams, J.J, Morton, C.J, Parker, M.W. | Deposit date: | 2019-07-10 | Release date: | 2020-05-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.263 Å) | Cite: | The Crystal Structure of the Manganese Superoxide Dismutase from Geobacillus stearothermophilus: Parker and Blake (1988) Revisited Aust.J.Chem., 73, 2020
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5DAK
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![BU of 5dak by Molmil](/molmil-images/mine/5dak) | |
4ICN
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![BU of 4icn by Molmil](/molmil-images/mine/4icn) | Dihydrodipicolinate synthase from shewanella benthica | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIHYDRODIPICOLINATE SYNTHASE, ... | Authors: | Wubben, J.M, Paxman, J.J, Dogovski, C, Parker, M.W, Perugini, M.A. | Deposit date: | 2012-12-10 | Release date: | 2013-12-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Cold enzymology offers insight into molecular evolution in quaternary structure To be Published
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6NMY
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![BU of 6nmy by Molmil](/molmil-images/mine/6nmy) | A Cytokine-receptor complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit beta, ... | Authors: | Dhagat, U, Kan, W.L, Hercus, T.R, Broughton, S.E, Nero, T.L, Lopez, A.F, Parker, M.W. | Deposit date: | 2019-01-13 | Release date: | 2020-01-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.301 Å) | Cite: | Signalling conformation of cell surface receptor To Be Published
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4AHV
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![BU of 4ahv by Molmil](/molmil-images/mine/4ahv) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(1H-pyrazol-1-yl)phenyl]methanamine, ACETIC ACID, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 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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3OVN
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![BU of 3ovn by Molmil](/molmil-images/mine/3ovn) | Fragment-based approach to the design of ligands targeting a novel site on HIV-1 integrase | Descriptor: | 1-methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine, CADMIUM ION, POL polyprotein, ... | Authors: | Wielens, J, Chalmers, D.K, Headey, S.J, Deadman, J.J, Rhodes, D.K, Parker, M.W, Scanlon, M.J. | Deposit date: | 2010-09-16 | Release date: | 2011-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Fragment-based design of ligands targeting a novel site on the integrase enzyme of human immunodeficiency virus 1 Chemmedchem, 6, 2011
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2AEW
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![BU of 2aew by Molmil](/molmil-images/mine/2aew) | |
3VQ5
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![BU of 3vq5 by Molmil](/molmil-images/mine/3vq5) | HIV-1 IN core domain in complex with N-METHYL-1-(4-METHYL-2-PHENYL-1,3-THIAZOL-5-YL)METHANAMINE | Descriptor: | CADMIUM ION, CHLORIDE ION, N-methyl-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine, ... | 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 (1.7 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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6EF5
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![BU of 6ef5 by Molmil](/molmil-images/mine/6ef5) | 14-3-3 with peptide | Descriptor: | 14-3-3 protein zeta/delta, ARG-SER-LEU-SEP-ALA-PRO-GLY, LYS-LEU-SEP-LEU-GLN | Authors: | Dhagat, U, Langendorf, C.G, Parker, M.W.P, Oakhill, J.S, Scott, J.W. | Deposit date: | 2018-08-16 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | 14-3-3 with peptide To Be Published
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3VQE
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![BU of 3vqe by Molmil](/molmil-images/mine/3vqe) | HIV-1 IN core domain in complex with [1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]methanol | Descriptor: | CADMIUM ION, CHLORIDE ION, POL polyprotein, ... | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | Deposit date: | 2012-03-21 | Release date: | 2013-01-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 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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3VQQ
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![BU of 3vqq by Molmil](/molmil-images/mine/3vqq) | HIV-1 integrase core domain in complex with 2,1,3-benzothiadiazol-4-amine | Descriptor: | 2,1,3-benzothiadiazol-4-amine, CADMIUM ION, POL polyprotein, ... | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | Deposit date: | 2012-03-29 | Release date: | 2013-01-30 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 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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3VQ8
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![BU of 3vq8 by Molmil](/molmil-images/mine/3vq8) | HIV-1 IN core domain in complex with (3R)-3,4-dihydro-2H-chromen-3-ylmethanol | Descriptor: | (3R)-3,4-dihydro-2H-chromen-3-ylmethanol, CADMIUM ION, CHLORIDE ION, ... | 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 (1.6 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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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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8G32
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![BU of 8g32 by Molmil](/molmil-images/mine/8g32) | Pro-form of a CDCL short from E. anophelis | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Johnstone, B.A, Christie, M.P, Morton, C.J, Parker, M.W. | Deposit date: | 2023-02-06 | Release date: | 2024-02-07 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Distant relatives of a eukaryotic cell-specific toxin family evolved a complement-like mechanism to kill bacteria. Nat Commun, 15, 2024
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4XXD
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![BU of 4xxd by Molmil](/molmil-images/mine/4xxd) | Crystal Structure of mid-region amyloid beta capture by solanezumab | Descriptor: | Amyloid-beta fragment, Fab Heavy Chain, Fab Light Chain | Authors: | Hermans, S.J, Crespi, G.A.N, Parker, M.W, Miles, L.A. | Deposit date: | 2015-01-30 | Release date: | 2015-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Molecular basis for mid-region amyloid-beta capture by leading Alzheimer's disease immunotherapies. Sci Rep, 5, 2015
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4AHU
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![BU of 4ahu by Molmil](/molmil-images/mine/4ahu) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1H-INDOLE-3-CARBOXYLIC ACID, ACETIC ACID, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | 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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4AHS
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![BU of 4ahs by Molmil](/molmil-images/mine/4ahs) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1-BENZOFURAN-7-CARBOXYLIC ACID, ACETATE ION, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 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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4AHT
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![BU of 4aht by Molmil](/molmil-images/mine/4aht) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 1,2-ETHANEDIOL, 1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 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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5VT9
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![BU of 5vt9 by Molmil](/molmil-images/mine/5vt9) | |
4AHR
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![BU of 4ahr by Molmil](/molmil-images/mine/4ahr) | Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification | Descriptor: | 3-(1,3-benzodioxol-5-yl)propanoic acid, ACETIC ACID, GLYCEROL, ... | Authors: | Wielens, J, Heady, S.J, Rhodes, D.I, Mulder, R.J, Dolezal, O, Deadman, J.J, Newman, J, Chalmers, D.K, Parker, M.W, Peat, T.S, Scanlon, M.J. | Deposit date: | 2012-02-07 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | 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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2QUG
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![BU of 2qug by Molmil](/molmil-images/mine/2qug) | Crystal structure of alpha-1-antitrypsin, crystal form A | Descriptor: | Alpha-1-antitrypsin | Authors: | Hansen, G, Morton, C.J, Pearce, M.C, Feil, S.C, Adams, J.J, Parker, M.W, Bottomley, S.P. | Deposit date: | 2007-08-05 | Release date: | 2008-08-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Preventing serpin aggregation: The molecular mechanism of citrate action upon antitrypsin unfolding. Protein Sci., 17, 2008
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3VQ4
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![BU of 3vq4 by Molmil](/molmil-images/mine/3vq4) | Fragments bound to HIV-1 integrase | Descriptor: | (5-phenyl-1,2-oxazol-3-yl)methanol, 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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3VQ6
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![BU of 3vq6 by Molmil](/molmil-images/mine/3vq6) | HIV-1 IN core domain in complex with (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol | Descriptor: | (1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol, 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 (1.8 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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