8PI2
 
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3NDD
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6I7U
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5NBU
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5NBV
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7AEL
 | | alpha 1-antitrypsin (C232S) complexed with GSK716 | | Descriptor: | Alpha-1-antitrypsin, SULFATE ION, ~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide | | Authors: | Chung, C. | | Deposit date: | 2020-09-17 | | Release date: | 2021-03-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Development of a small molecule that corrects misfolding and increases secretion of Z alpha 1 -antitrypsin.
Embo Mol Med, 13, 2021
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6I4V
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3NE4
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7NPL
 | | ALPHA-1 ANTITRYPSIN (C232S) COMPLEXED WITH cmpd 11 | | Descriptor: | Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide | | Authors: | Chung, C. | | Deposit date: | 2021-02-27 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding.
Bioorg.Med.Chem.Lett., 41, 2021
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7NPK
 | | ALPHA-1 ANTITRYPSIN C232S COMPLEXED WITH CMPD3 | | Descriptor: | Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide | | Authors: | Chung, C. | | Deposit date: | 2021-02-27 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding.
Bioorg.Med.Chem.Lett., 41, 2021
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6ROD
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6IAY
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8P4J
 | | Alpha-1-antitrypsin - Sydney variant (G192C) | | Descriptor: | Alpha-1-antitrypsin | | Authors: | Kamuda, K, Lomas, D.A, Irving, J.A. | | Deposit date: | 2023-05-22 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | A novel pathological mutant reveals the role of torsional flexibility in the serpin breach in adoption of an aggregation-prone intermediate.
Febs J., 291, 2024
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4PYW
 | | 1.92 angstrom crystal structure of A1AT:TTAI ternary complex | | Descriptor: | ACE-THR-THR-ALA-ILE-NH2, Alpha-1-antitrypsin, GLYCEROL | | Authors: | Nyon, M.P, Day, J, Gooptu, B. | | Deposit date: | 2014-03-28 | | Release date: | 2015-06-10 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | An integrative approach combining ion mobility mass spectrometry, X-ray crystallography, and nuclear magnetic resonance spectroscopy to study the conformational dynamics of alpha 1 -antitrypsin upon ligand binding.
Protein Sci., 24, 2015
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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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1QLP
 | | 2.0 ANGSTROM STRUCTURE OF INTACT ALPHA-1-ANTITRYPSIN: A CANONICAL TEMPLATE FOR ACTIVE SERPINS | | Descriptor: | ALPHA-1-ANTITRYPSIN | | Authors: | Elliott, P.R, Pei, X.Y, Dafforn, T, Read, R.J, Carrell, R.W, Lomas, D.A. | | Deposit date: | 1999-09-10 | | Release date: | 1999-09-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Topography of a 2.0 A structure of alpha1-antitrypsin reveals targets for rational drug design to prevent conformational disease.
Protein Sci., 9, 2000
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1HP7
 | | A 2.1 ANGSTROM STRUCTURE OF AN UNCLEAVED ALPHA-1-ANTITRYPSIN SHOWS VARIABILITY OF THE REACTIVE CENTER AND OTHER LOOPS | | Descriptor: | ALPHA-1-ANTITRYPSIN, BETA-MERCAPTOETHANOL, ZINC ION | | Authors: | Kim, S.-J, Woo, J.-R, Seo, E.J, Yu, M.-H, Ryu, S.-E. | | Deposit date: | 2000-12-12 | | Release date: | 2001-03-14 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A 2.1 A resolution structure of an uncleaved alpha(1)-antitrypsin shows variability of the reactive center and other loops.
J.Mol.Biol., 306, 2001
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3DRM
 | | 2.2 Angstrom Crystal Structure of Thr114Phe Alpha1-Antitrypsin | | Descriptor: | Alpha-1-antitrypsin | | Authors: | Gooptu, B, Nobeli, I, Purkiss, A, Phillips, R.L, Mallya, M, Lomas, D.A, Barrett, T.E. | | Deposit date: | 2008-07-11 | | Release date: | 2009-03-31 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystallographic and cellular characterisation of two mechanisms stabilising the native fold of alpha1-antitrypsin: implications for disease and drug design.
J.Mol.Biol., 387, 2009
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1IZ2
 | | Interactions causing the kinetic trap in serpin protein folding | | Descriptor: | alpha-D-glucopyranose-(1-2)-(5R)-5-[(2R)-2-hydroxynonyl]-beta-D-xylulofuranose, alpha1-antitrypsin | | Authors: | Im, H, Woo, M.-S, Hwang, K.Y, Yu, M.-H. | | Deposit date: | 2002-09-19 | | Release date: | 2003-02-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Interactions causing the kinetic trap in serpin protein folding
J.BIOL.CHEM., 277, 2002
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1OPH
 | | NON-COVALENT COMPLEX BETWEEN ALPHA-1-PI-PITTSBURGH AND S195A TRYPSIN | | Descriptor: | Alpha-1-antitrypsin precursor, Trypsinogen, cationic precursor | | Authors: | Dementiev, A, Simonovic, M, Volz, K, Gettins, P.G. | | Deposit date: | 2003-03-05 | | Release date: | 2003-08-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Canonical inhibitor-like interactions explain reactivity of alpha1-proteinase inhibitor Pittsburgh and antithrombin with proteinases
J.Biol.Chem., 278, 2003
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8P4U
 | | Alpha-1-antitrypsin - Sydney variant (G192C) | | Descriptor: | Alpha-1-antitrypsin | | Authors: | Kamuda, K, Lomas, D.A, Irving, J.A. | | Deposit date: | 2023-05-23 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A novel pathological mutant reveals the role of torsional flexibility in the serpin breach in adoption of an aggregation-prone intermediate.
Febs J., 291, 2024
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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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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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1QMB
 | | Cleaved alpha-1-antitrypsin polymer | | Descriptor: | ALPHA-1-ANTITRYPSIN | | Authors: | Huntington, J.A, Pannu, N.S, Hazes, B, Read, R.J, Lomas, D.A, Carrell, R.W. | | Deposit date: | 1999-09-24 | | Release date: | 2000-02-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A 2.6A Structure of a Serpin Polymer and Implications for Conformational Disease
J.Mol.Biol., 293, 1999
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1EZX
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