3CWM
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![BU of 3cwm by Molmil](/molmil-images/mine/3cwm) | Crystal structure of alpha-1-antitrypsin complexed with citrate | Descriptor: | Alpha-1-antitrypsin, CITRIC ACID | Authors: | Morton, C.J, Hansen, G, Feil, S.C, Adams, J.J, Parker, M.W. | Deposit date: | 2008-04-22 | Release date: | 2008-09-23 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Preventing serpin aggregation: The molecular mechanism of citrate action upon antitrypsin unfolding. Protein Sci., 17, 2008
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3CWL
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![BU of 3cwl by Molmil](/molmil-images/mine/3cwl) | Crystal structure of alpha-1-antitrypsin, crystal form B | Descriptor: | Alpha-1-antitrypsin, CHLORIDE ION | Authors: | Morton, C.J, Hansen, G, Feil, S.C, Adams, J.J, Parker, M.W. | Deposit date: | 2008-04-22 | Release date: | 2008-09-23 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Preventing serpin aggregation: The molecular mechanism of citrate action upon antitrypsin unfolding. Protein Sci., 17, 2008
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4HIX
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![BU of 4hix by Molmil](/molmil-images/mine/4hix) | |
3LJR
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![BU of 3ljr by Molmil](/molmil-images/mine/3ljr) | GLUTATHIONE TRANSFERASE (THETA CLASS) FROM HUMAN IN COMPLEX WITH THE GLUTATHIONE CONJUGATE OF 1-MENAPHTHYL SULFATE | Descriptor: | 1-MENAPHTHYL GLUTATHIONE CONJUGATE, GLUTATHIONE S-TRANSFERASE, SULFATE ION | Authors: | Rossjohn, J, Mckinstry, W.J, Oakley, A.J, Verger, D, Flanagan, J, Chelvanayagam, G, Tan, K.L, Board, P.G, Parker, M.W. | Deposit date: | 1998-03-08 | Release date: | 1999-03-23 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Human theta class glutathione transferase: the crystal structure reveals a sulfate-binding pocket within a buried active site. Structure, 6, 1998
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1EOH
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![BU of 1eoh by Molmil](/molmil-images/mine/1eoh) | GLUTATHIONE TRANSFERASE P1-1 | Descriptor: | GLUTATHIONE S-TRANSFERASE | Authors: | Rossjohn, J, McKinstry, W.J, Oakley, A.J, Parker, M.W, Stenberg, G, Mannervik, B, Dragani, B, Cocco, R, Aceto, A. | Deposit date: | 2000-03-22 | Release date: | 2000-10-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of thermolabile mutants of human glutathione transferase P1-1. J.Mol.Biol., 302, 2000
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1S3R
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![BU of 1s3r by Molmil](/molmil-images/mine/1s3r) | Crystal structure of the human-specific toxin intermedilysin | Descriptor: | SULFATE ION, intermedilysin | Authors: | Polekhina, G, Giddings, K.S, Tweten, R.K, Parker, M.W. | Deposit date: | 2004-01-14 | Release date: | 2005-01-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Insights into the action of the superfamily of cholesterol-dependent cytolysins from studies of intermedilysin Proc.Natl.Acad.Sci.Usa, 102, 2005
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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) | |
3WNG
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![BU of 3wng by Molmil](/molmil-images/mine/3wng) | |
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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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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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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1OWT
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![BU of 1owt by Molmil](/molmil-images/mine/1owt) | Structure of the Alzheimer's disease amyloid precursor protein copper binding domain | Descriptor: | Amyloid beta A4 protein | Authors: | Barnham, K.J, McKinstry, W.J, Multhaup, G, Galatis, D, Morton, C.J, Curtain, C.C, Williamson, N.A, White, A.R, Hinds, M.G, Norton, R.S, Beyreuther, K, Masters, C.L, Parker, M.W, Cappai, R. | Deposit date: | 2003-03-30 | Release date: | 2003-05-13 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Structure of the Alzheimer's Disease Amyloid Precursor Protein Copper Binding Domain. A REGULATOR OF NEURONAL COPPER HOMEOSTASIS. J.Biol.Chem., 278, 2003
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1PMT
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![BU of 1pmt by Molmil](/molmil-images/mine/1pmt) | GLUTATHIONE TRANSFERASE FROM PROTEUS MIRABILIS | Descriptor: | GLUTATHIONE, GLUTATHIONE TRANSFERASE | Authors: | Rossjohn, J, Polekhina, G, Feil, S.C, Allocati, N, Masulli, M, Diilio, C, Parker, M.W. | Deposit date: | 1998-03-23 | Release date: | 1999-04-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A mixed disulfide bond in bacterial glutathione transferase: functional and evolutionary implications. Structure, 6, 1998
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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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3VQC
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![BU of 3vqc by Molmil](/molmil-images/mine/3vqc) | HIV-1 IN core domain in complex with (5-METHYL-3-PHENYL-1,2-OXAZOL-4-YL)METHANOL | Descriptor: | (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol, CADMIUM 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 (2.3 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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3VQD
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![BU of 3vqd by Molmil](/molmil-images/mine/3vqd) | HIV-1 IN core domain in complex with 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid | Descriptor: | 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid, CADMIUM 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 (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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3VQ9
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![BU of 3vq9 by Molmil](/molmil-images/mine/3vq9) | HIV-1 IN core domain in complex with 6-fluoro-1,3-benzothiazol-2-amine | Descriptor: | 6-fluoro-1,3-benzothiazol-2-amine, 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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3VQP
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![BU of 3vqp by Molmil](/molmil-images/mine/3vqp) | HIV-1 IN core domain in complex with 2,3-dihydro-1,4-benzodioxin-5-ylmethanol | Descriptor: | 2,3-dihydro-1,4-benzodioxin-5-ylmethanol, CADMIUM ION, CHLORIDE ION, ... | 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 (2.1 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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3VQB
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![BU of 3vqb by Molmil](/molmil-images/mine/3vqb) | HIV-1 IN core domain in complex with 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid | Descriptor: | 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid, CADMIUM 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 (2.1 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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1EOG
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![BU of 1eog by Molmil](/molmil-images/mine/1eog) | CRYSTAL STRUCTURE OF PI CLASS GLUTATHIONE TRANSFERASE | Descriptor: | GLUTATHIONE S-TRANSFERASE | Authors: | Rossjohn, J, McKinstry, W.J, Oakley, A.J, Parker, M.W, Stenberg, G, Mannervik, B, Dragani, B, Cocco, R, Aceto, A. | Deposit date: | 2000-03-22 | Release date: | 2000-10-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structures of thermolabile mutants of human glutathione transferase P1-1. J.Mol.Biol., 302, 2000
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