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1QLP
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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
1QMN
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BU of 1qmn by Molmil
Alpha1-antichymotrypsin serpin in the delta conformation (partial loop insertion)
Descriptor: ALPHA-1-ANTICHYMOTRYPSIN
Authors:Gooptu, B, Hazes, B, Lomas, D.A.
Deposit date:1999-10-04
Release date:2000-01-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Inactive Conformation of the Serpin Alpha1-Antichymotrypsin Indicates Two-Stage Insertion of the Reactive Loop: Implications for Inhibitory Function and Conformational Disease
Proc.Natl.Acad.Sci.USA, 97, 2000
1QMB
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BU of 1qmb by Molmil
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
1R1L
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BU of 1r1l by Molmil
Structure of dimeric antithrombin complexed with a P14-P9 reactive loop peptide and an exogenous tripeptide (formyl-norleucine-LF)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin P14-P9 peptide, Antithrombin-III, ...
Authors:Zhou, A, Huntington, J.A, Lomas, D.A, Stein, P.E, Carrell, R.W.
Deposit date:2003-09-24
Release date:2004-10-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Serpins and the design of peptides to block intermolecular beta-linkages
To be Published
1SNG
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BU of 1sng by Molmil
Structure of a Thermophilic Serpin in the Native State
Descriptor: COG4826: Serine protease inhibitor, SULFATE ION
Authors:Fulton, K.F, Buckle, A.M, Cabrita, L.D, Irving, J.A, Butcher, R.E, Smith, I, Reeve, S, Lesk, A.M, Bottomley, S.P, Rossjohn, J, Whisstock, J.C.
Deposit date:2004-03-10
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:The high resolution crystal structure of a native thermostable serpin reveals the complex mechanism underpinning the stressed to relaxed transition.
J.Biol.Chem., 280, 2005
1SEK
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BU of 1sek by Molmil
THE STRUCTURE OF ACTIVE SERPIN K FROM MANDUCA SEXTA AND A MODEL FOR SERPIN-PROTEASE COMPLEX FORMATION
Descriptor: SERPIN K
Authors:Li, J, Wang, Z, Canagarajah, B, Jiang, H, Kanost, M, Goldsmith, E.J.
Deposit date:1998-03-06
Release date:1999-03-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of active serpin 1K from Manduca sexta.
Structure Fold.Des., 7, 1999
1T1F
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BU of 1t1f by Molmil
Crystal Structure of Native Antithrombin in its Monomeric Form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antithrombin-III, GLYCEROL, ...
Authors:Johnson, D.J.D, Huntington, J.A.
Deposit date:2004-04-16
Release date:2005-10-04
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystal structure of monomeric native antithrombin reveals a novel reactive center loop conformation
J.Biol.Chem., 281, 2006
1UHG
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Crystal Structure of S-Ovalbumin At 1.9 Angstrom Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ovalbumin, ...
Authors:Yamasaki, M, Takahashi, N, Hirose, M.
Deposit date:2003-07-03
Release date:2003-07-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of S-ovalbumin as a Non-loop-inserted Thermostabilized Serpin Form
J.Biol.Chem., 278, 2003
3DRU
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BU of 3dru by Molmil
Crystal Structure of Gly117Phe 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:2024-02-21
Method:X-RAY DIFFRACTION (3.2 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
5NCW
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BU of 5ncw by Molmil
Structure of the trypsin induced serpin-type proteinase inhibitor, miropin (V367K/K368A mutant).
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
Authors:Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X.
Deposit date:2017-03-06
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome.
J. Biol. Chem., 292, 2017
3DRM
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BU of 3drm by Molmil
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
3DLW
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BU of 3dlw by Molmil
Antichymotrypsin
Descriptor: Alpha-1-antichymotrypsin
Authors:Feil, S.C.
Deposit date:2008-06-29
Release date:2009-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Identification and characterization of a misfolded monomeric serpin formed at physiological temperature
J.Mol.Biol., 403, 2010
5NCS
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BU of 5ncs by Molmil
Structure of the native serpin-type proteinase inhibitor, miropin.
Descriptor: Serpin
Authors:Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X.
Deposit date:2017-03-06
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome.
J. Biol. Chem., 292, 2017
3DY0
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BU of 3dy0 by Molmil
Crystal Structure of Cleaved PCI Bound to Heparin
Descriptor: 2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, C-terminus Plasma serine protease inhibitor, GLYCEROL, ...
Authors:Li, W, Huntington, J.A.
Deposit date:2008-07-25
Release date:2008-10-28
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The heparin binding site of protein C inhibitor is protease-dependent.
J.Biol.Chem., 283, 2008
5NBU
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BU of 5nbu by Molmil
Crystal structure of native alpha-1-antitrypsin with seven stabilising mutations
Descriptor: Alpha-1-antitrypsin, GLYCEROL, OXAMIC ACID
Authors:Huntington, J.A, Pomowski, A, Johnson, D.J.D.
Deposit date:2017-03-02
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:CRYSTAL STRUCTURE OF THE Z VARIANT OF ALPHA-1-ANTITRYPSIN REVEALS STRUCTURAL AND DYNAMICAL CHANGES AND SUPPORTS A C-TERMINAL DOMAIN SWAP MECHANISM OF POLYMERIZATION
To Be Published
5NCU
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BU of 5ncu by Molmil
Structure of the subtilisin induced serpin-type proteinase inhibitor, miropin.
Descriptor: CHLORIDE ION, GLYCEROL, IODIDE ION, ...
Authors:Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X.
Deposit date:2017-03-06
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome.
J. Biol. Chem., 292, 2017
5NCT
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BU of 5nct by Molmil
Structure of the trypsin induced serpin-type proteinase inhibitor, miropin.
Descriptor: ASPARTIC ACID, GLYCEROL, SERINE, ...
Authors:Goulas, T, Ksiazek, M, Garcia-Ferrer, I, Mizgalska, D, Potempa, J, Gomis-Ruth, X.
Deposit date:2017-03-06
Release date:2017-05-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A structure-derived snap-trap mechanism of a multispecific serpin from the dysbiotic human oral microbiome.
J. Biol. Chem., 292, 2017
3EOX
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BU of 3eox by Molmil
High quality structure of cleaved PAI-1-stab
Descriptor: Plasminogen activator inhibitor 1
Authors:Dewilde, M, Declerck, P.J, Rabijns, A, Strelkov, S.V.
Deposit date:2008-09-29
Release date:2009-02-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:High quality structure of cleaved PAI-1-stab.
J.Struct.Biol., 165, 2009
3EVJ
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BU of 3evj by Molmil
Intermediate structure of antithrombin bound to the natural pentasaccharide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, ...
Authors:Huntington, J.A, Belzar, K.J.
Deposit date:2008-10-13
Release date:2008-10-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:The critical role of hinge-region expulsion in the induced-fit heparin binding mechanism of antithrombin.
J. Mol. Biol., 386, 2009
5OM6
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BU of 5om6 by Molmil
Crystal structure of Alpha1-antichymotrypsin variant DBS-I-allo2: a MMP9-cleavable drug-binding serpin for doxycycline
Descriptor: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin, CHLORIDE ION, ...
Authors:Schmidt, K, Muller, Y.A.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OM8
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Crystal form 2 of Alpha1-antichymotrypsin variant DBS-II-allo: an allosterically modulated drug-binding serpin for doxorubicin
Descriptor: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin, CHLORIDE ION, ...
Authors:Schmidt, K, Muller, Y.A.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3F02
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BU of 3f02 by Molmil
Cleaved human neuroserpin
Descriptor: Neuroserpin
Authors:Ricagno, S, Sorrentino, G, Caccia, S, Bolognesi, M.
Deposit date:2008-10-24
Release date:2009-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human neuroserpin: structure and time-dependent inhibition
J.Mol.Biol., 388, 2009
5OM5
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BU of 5om5 by Molmil
Crystal structure of Alpha1-antichymotrypsin variant DBS-I-allo1: an allosterically triggered drug-binding serpin for doxycycline
Descriptor: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin, CHLORIDE ION
Authors:Schmidt, K, Muller, Y.A.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.595 Å)
Cite:Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OM2
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Crystal structure of Alpha1-antichymotrypsin variant DBS-I1: a drug-binding serpin for doxycycline
Descriptor: (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin
Authors:Schmidt, K, Muller, Y.A.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OM7
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Crystal structure of Alpha1-antichymotrypsin variant DBS-II: a drug-binding serpin for doxorubicin
Descriptor: Alpha-1-antichymotrypsin, DOXORUBICIN
Authors:Schmidt, K, Kern, A, Muller, Y.A.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.727 Å)
Cite:Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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