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8PI2
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BU of 8pi2 by Molmil
Native alpha-1-antitrypsin at 1.5 Angstrom (Cys232Ser)
Descriptor: 1,2-ETHANEDIOL, Alpha-1-antitrypsin, DIMETHYL SULFOXIDE, ...
Authors:Wang, M, Irving, J.A.
Deposit date:2023-06-20
Release date:2023-07-05
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Structural determinants of instability in alpha-1-antitrypsin
To Be Published
8P4U
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BU of 8p4u by Molmil
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
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., 2024
8P4J
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BU of 8p4j by Molmil
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
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., 2024
8H55
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BU of 8h55 by Molmil
The structure of zebrafish angiotensinogen
Descriptor: Angiotensinogen, SULFATE ION
Authors:Zhou, A, Wei, H.
Deposit date:2022-10-12
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:BIOLOGICAL IMPLICATIONS OF A 2 ANGSTROMS STRUCTURE OF DIMERIC ANGIOTENSINOGEN
To Be Published
8H4X
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BU of 8h4x by Molmil
Structure of cleaved Serpin B9
Descriptor: 1,2-ETHANEDIOL, Serpin B9, ZINC ION
Authors:Zhou, A, Yan, T.
Deposit date:2022-10-11
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Expression, purification and crystallization of cleaved Serpin B9
To Be Published
8GXV
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BU of 8gxv by Molmil
Structure of a bacterial serpin Choloropin derived from Cholorobium limicola
Descriptor: GLYCEROL, Proteinase inhibitor I4 serpin, ZINC ION
Authors:Zhou, A, Xu, J.
Deposit date:2022-09-21
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Climpin, a Novel Bacterial a Serpin inducing a Broad Range of Proteases and Regulated by Heparin and DNA.
To Be Published
7ZBF
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BU of 7zbf by Molmil
Crystal structure of native Iripin-4 serpin from tick Ixodes ricinus
Descriptor: Iripin-4 serpin, NICKEL (II) ION
Authors:Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T.
Deposit date:2022-03-23
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational transition of the Ixodes ricinus salivary serpin Iripin-4.
Acta Crystallogr D Struct Biol, 79, 2023
7ZAS
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BU of 7zas by Molmil
Crystal structure of cleaved Iripin-4 serpin from tick Ixodes ricinus
Descriptor: CHLORIDE ION, Iripin-4 serpin
Authors:Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T.
Deposit date:2022-03-22
Release date:2023-03-29
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational transition of the Ixodes ricinus salivary serpin Iripin-4.
Acta Crystallogr D Struct Biol, 79, 2023
7QTZ
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BU of 7qtz by Molmil
Crystal structure of Iripin-1 serpin from tick Ixodes ricinus
Descriptor: MAGNESIUM ION, Putative salivary serpin
Authors:Kascakova, B, Kuta Smatanova, I, Chmelar, J, Prudnikova, T.
Deposit date:2022-01-17
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Iripin-1, a new anti-inflammatory tick serpin, inhibits leukocyte recruitment in vivo while altering the levels of chemokines and adhesion molecules.
Front Immunol, 14, 2023
7QRN
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BU of 7qrn by Molmil
Crystal structure of Ovalbumin-related protein X (OVAX) complexed with fondaparinux
Descriptor: 1,2-ETHANEDIOL, 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, Ovalbumin-related protein X, ...
Authors:Coste, F, Bruneau, G, Rehault-Godbert, S.
Deposit date:2022-01-11
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Antimicrobial Proteins and Peptides in Avian Eggshell: Structural Diversity and Potential Roles in Biomineralization.
Front Immunol, 13, 2022
7QR2
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BU of 7qr2 by Molmil
Crystal structure of chicken Ovalbumin-related protein X
Descriptor: 1,2-ETHANEDIOL, Ovalbumin-related protein X, SULFATE ION
Authors:Coste, F, Rehault-Godbert, S.
Deposit date:2022-01-10
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of chicken Ovalbumin-related protein X
To Be Published
7VLJ
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BU of 7vlj by Molmil
Crystal structure of Entamoeba histolytica serine protease inhibitor, Histopin, in the cleaved conformation
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, POTASSIUM ION, ...
Authors:Ali, M.F, Devi, S, Gourinath, S.
Deposit date:2021-10-03
Release date:2021-11-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal structure of Entamoeba histolytica serine protease inhibitor, Histopin, in the cleaved conformation
To Be Published
7PMU
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BU of 7pmu by Molmil
Crystal structure of native Iripin-8
Descriptor: DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, Serpin-8, ...
Authors:Polderdijk, S, Kotal, J, Chmelar, J, Huntington, J.A.
Deposit date:2021-09-02
Release date:2021-10-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Ixodes ricinus Salivary Serpin Iripin-8 Inhibits the Intrinsic Pathway of Coagulation and Complement.
Int J Mol Sci, 22, 2021
7RBW
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BU of 7rbw by Molmil
Structure of Biliverdin-binding Serpin of Boana punctata (polka-dot tree frog)
Descriptor: BILIVERDINE IX ALPHA, Biliverdin bindin serpin
Authors:Fedorov, E, Manoilov, K.Y, Verkhusha, V, Almo, S.C, Ghosh, A.
Deposit date:2021-07-06
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and Functional Characterization of a Biliverdin-Binding Near-Infrared Fluorescent Protein From the Serpin Superfamily.
J.Mol.Biol., 434, 2021
7NPL
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BU of 7npl by Molmil
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:2021-04-14
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
7NPK
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BU of 7npk by Molmil
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:2021-04-14
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
7BFI
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BU of 7bfi by Molmil
A double-histidine mutant of HSP47 slows down client release at low pH
Descriptor: 15R8 collagen model peptide, Collagen-binding protein
Authors:Oecal, S, Baumann, U.
Deposit date:2021-01-03
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Collagen's primary structure determines collagen:HSP47 complex stoichiometry.
J.Biol.Chem., 297, 2021
7BEE
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BU of 7bee by Molmil
Crystal structure of a Hsp47-collagen peptide complex
Descriptor: 21er collagen model peptide, Collagen-binding protein
Authors:Abraham, E.T, Gebauer, J.M, Baumann, U.
Deposit date:2020-12-23
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.939 Å)
Cite:Collagen's primary structure determines collagen:HSP47 complex stoichiometry.
J.Biol.Chem., 297, 2021
7BDU
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BU of 7bdu by Molmil
Crystal structure of a Hsp47-collagen peptide complex
Descriptor: 21er collagen model peptide, Collagen-binding protein
Authors:Abraham, E.T, Gebauer, J.M, Baumann, U.
Deposit date:2020-12-22
Release date:2021-11-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Collagen's primary structure determines collagen:HSP47 complex stoichiometry.
J.Biol.Chem., 297, 2021
7B2T
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BU of 7b2t by Molmil
Crystal structure of Iripin-5 serpin from Ixodes ricinus
Descriptor: CHLORIDE ION, MAGNESIUM ION, Serpin-4 precursor, ...
Authors:Kascakova, B, Kuta Smatanova, I.
Deposit date:2020-11-27
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and biochemical characterization of the novel serpin Iripin-5 from Ixodes ricinus.
Acta Crystallogr D Struct Biol, 77, 2021
7AQG
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BU of 7aqg by Molmil
Crystal Structure of Small Molecule Inhibitor TM5484 Bound to Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-W175F)
Descriptor: 5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid, Plasminogen activator inhibitor 1, VHH-2g-42 (Nb42), ...
Authors:Sillen, M, Strelkov, S.V, Declerck, P.J.
Deposit date:2020-10-21
Release date:2021-02-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural Insight into the Two-Step Mechanism of PAI-1 Inhibition by Small Molecule TM5484.
Int J Mol Sci, 22, 2021
7AQF
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BU of 7aqf by Molmil
Crystal Structure of Small Molecule Inhibitor TM5484 Bound to Stabilized Active Plasminogen Activator Inhibitor-1 (PAI-1-stab)
Descriptor: 5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid, Plasminogen activator inhibitor 1
Authors:Sillen, M, Strelkov, S.V, Declerck, P.J.
Deposit date:2020-10-21
Release date:2021-02-17
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural Insight into the Two-Step Mechanism of PAI-1 Inhibition by Small Molecule TM5484.
Int J Mol Sci, 22, 2021
7AKV
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BU of 7akv by Molmil
The cryo-EM structure of the Vag8-C1 inhibitor complex
Descriptor: Plasma protease C1 inhibitor, Vag8
Authors:Johnson, S, Lea, S.M, Deme, J.C, Furlong, E, Dhillon, A.
Deposit date:2020-10-02
Release date:2021-06-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Molecular Basis for Bordetella pertussis Interference with Complement, Coagulation, Fibrinolytic, and Contact Activation Systems: the Cryo-EM Structure of the Vag8-C1 Inhibitor Complex.
Mbio, 12, 2021
7AHP
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BU of 7ahp by Molmil
Crystal structure of Ixodes ricinus serpin - Iripin-3
Descriptor: Putative salivary serpin, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM
Authors:Kascakova, B, Kuta Smatanova, I, Prudnikova, T.
Deposit date:2020-09-25
Release date:2021-03-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Iripin-3, a New Salivary Protein Isolated From Ixodes ricinus Ticks, Displays Immunomodulatory and Anti-Hemostatic Properties In Vitro
Front Immunol, 12, 2021
7AEL
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BU of 7ael by Molmil
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:2021-03-17
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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