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6FOE
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BU of 6foe by Molmil
BaxB01 Fab fragment
Descriptor: Fab BaxB01 heavy chain, Fab BaxB01 light chain
Authors:Hollerweger, J, Schinagl, A, Kerschbaumer, R.J, Scheiflinger, F, Thiele, M, Goettig, P, Brandstetter, H.
Deposit date:2018-02-07
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Role of the Cysteine 81 Residue of Macrophage Migration Inhibitory Factor as a Molecular Redox Switch.
Biochemistry, 57, 2018
6YSA
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BU of 6ysa by Molmil
Crystal structure of Arabidopsis thaliana legumain isoform beta in zymogen state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, SULFATE ION, ...
Authors:Dall, E, Zauner, F.B, Brandstetter, H.
Deposit date:2020-04-21
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and functional studies ofArabidopsis thalianalegumain beta reveal isoform specific mechanisms of activation and substrate recognition.
J.Biol.Chem., 295, 2020
5O7E
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BU of 5o7e by Molmil
Crystal structure of the peptidase domain of collagenase H from Clostridium histolyticum in complex with N-aryl mercaptoacetamide-based inhibitor
Descriptor: CALCIUM ION, ColH protein, ZINC ION, ...
Authors:Schoenauer, E, Brandstetter, H.
Deposit date:2017-06-08
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Discovery of a Potent Inhibitor Class with High Selectivity toward Clostridial Collagenases.
J. Am. Chem. Soc., 139, 2017
5NZC
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BU of 5nzc by Molmil
A disulfide switch determines proteolytic resistance in the birch pollen allergen Bet v 2
Descriptor: Profilin-2
Authors:Soh, W.T, Brandstetter, H.
Deposit date:2017-05-12
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Two Distinct Conformations in Bet v 2 Determine Its Proteolytic Resistance to Cathepsin S.
Int J Mol Sci, 18, 2017
5NZB
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BU of 5nzb by Molmil
A disulfide switch determines proteolytic resistance in the birch pollen allergen Bet v 2
Descriptor: Profilin-2
Authors:Soh, W.T, Brandstetter, H.
Deposit date:2017-05-12
Release date:2017-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Two Distinct Conformations in Bet v 2 Determine Its Proteolytic Resistance to Cathepsin S.
Int J Mol Sci, 18, 2017
5OBT
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BU of 5obt by Molmil
Fully activated A. thaliana legumain isoform gamma in complex with Ac-YVAD-CMK
Descriptor: Ac-YVAD-CMK, Vacuolar-processing enzyme gamma-isozyme
Authors:Zauner, B.F, Dall, E, Brandstetter, H.
Deposit date:2017-06-29
Release date:2018-04-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural analyses ofArabidopsis thalianalegumain gamma reveal differential recognition and processing of proteolysis and ligation substrates.
J. Biol. Chem., 293, 2018
7QXZ
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BU of 7qxz by Molmil
X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 5
Descriptor: 2-[(3S)-1-[[2-[3,5-bis(chloranyl)phenyl]-6-[2-(4-methylpiperazin-4-ium-1-yl)pyrimidin-5-yl]oxy-pyridin-4-yl]methyl]pyrrolidin-1-ium-3-yl]oxyethanoic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O, Brandstetter, H, Pautsch, A.
Deposit date:2022-01-27
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
7QY1
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BU of 7qy1 by Molmil
X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate, CALCIUM ION, ...
Authors:Dahms, S.O, Brandstetter, H, Pautsch, A.
Deposit date:2022-01-27
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
7QY0
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BU of 7qy0 by Molmil
X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O, Brandstetter, H, Pautsch, A.
Deposit date:2022-01-27
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
7QY2
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BU of 7qy2 by Molmil
X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 2
Descriptor: (2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Dahms, S.O, Brandstetter, H, Pautsch, A.
Deposit date:2022-01-27
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
7QXY
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BU of 7qxy by Molmil
X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 3
Descriptor: 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]propanoate, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O, Brandstetter, H, Pautsch, A.
Deposit date:2022-01-27
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.478 Å)
Cite:Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
7O1U
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BU of 7o1u by Molmil
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 1 (BEV241)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O, Brandstetter, H.
Deposit date:2021-03-30
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:OFF-State-Specific Inhibition of the Proprotein Convertase Furin.
Acs Chem.Biol., 16, 2021
7O22
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BU of 7o22 by Molmil
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 4 (mi359)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O, Brandstetter, H.
Deposit date:2021-03-30
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:OFF-State-Specific Inhibition of the Proprotein Convertase Furin.
Acs Chem.Biol., 16, 2021
7O20
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BU of 7o20 by Molmil
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 3 (mi300)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O, Brandstetter, H.
Deposit date:2021-03-30
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:OFF-State-Specific Inhibition of the Proprotein Convertase Furin.
Acs Chem.Biol., 16, 2021
7O1W
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BU of 7o1w by Molmil
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (mi307) soaked at 1 M NaCl
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O, Brandstetter, H.
Deposit date:2021-03-30
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:OFF-State-Specific Inhibition of the Proprotein Convertase Furin.
Acs Chem.Biol., 16, 2021
7O1Y
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BU of 7o1y by Molmil
X-ray structure of furin in complex with the guanylhydrazone-based inhibitor 2 (mi307) soaked at 0.25 M NaCl
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Dahms, S.O, Brandstetter, H.
Deposit date:2021-03-30
Release date:2021-09-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:OFF-State-Specific Inhibition of the Proprotein Convertase Furin.
Acs Chem.Biol., 16, 2021
7O50
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BU of 7o50 by Molmil
Crystal structure of human legumain in complex with Gly-Ser-Asn peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLY-SER-ASN, ...
Authors:Dall, E, Brandstetter, H.
Deposit date:2021-04-07
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Peptide Ligase Activity of Human Legumain Depends on Fold Stabilization and Balanced Substrate Affinities.
Acs Catalysis, 11, 2021
1Z1W
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BU of 1z1w by Molmil
Crystal structures of the tricorn interacting facor F3 from Thermoplasma acidophilum, a zinc aminopeptidase in three different conformations
Descriptor: SULFATE ION, Tricorn protease interacting factor F3, ZINC ION
Authors:Kyrieleis, O.J.P, Goettig, P, Kiefersauer, R, Huber, R, Brandstetter, H.
Deposit date:2005-03-07
Release date:2005-05-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structures of the Tricorn Interacting Factor F3 from Thermoplasma acidophilum, a Zinc Aminopeptidase in Three Different Conformations
J.MOL.BIOL., 394, 2005
1Z5H
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BU of 1z5h by Molmil
Crystal structures of the Tricorn interacting Factor F3 from Thermoplasma acidophilum
Descriptor: SULFATE ION, Tricorn protease interacting factor F3, ZINC ION
Authors:Kyrieleis, O.J.P, Goettig, P, Kiefersauer, R, Huber, R, Brandstetter, H.
Deposit date:2005-03-18
Release date:2005-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of the Tricorn Interacting Factor F3 from Thermoplasma acidophilum, a Zinc Aminopeptidase in Three Different Conformations
J.MOL.BIOL., 349, 2005
1ZRZ
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BU of 1zrz by Molmil
Crystal Structure of the Catalytic Domain of Atypical Protein Kinase C-iota
Descriptor: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, Protein kinase C, iota
Authors:Messerschmidt, A, Macieira, S, Velarde, M, Baedeker, M, Benda, C, Jestel, A, Brandstetter, H, Neuefeind, T, Blaesse, M, Structural Proteomics in Europe (SPINE)
Deposit date:2005-05-23
Release date:2005-09-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of the Catalytic Domain of Human Atypical Protein Kinase C-iota Reveals Interaction Mode of Phosphorylation Site in Turn Motif
J.Mol.Biol., 352, 2005
5LUA
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BU of 5lua by Molmil
Crystal structure of human legumain (AEP) in complex with compound 11b
Descriptor: 2,4-di(morpholin-4-yl)aniline, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dall, E, Ye, K, Brandstetter, H.
Deposit date:2016-09-08
Release date:2017-03-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
5LUB
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BU of 5lub by Molmil
Crystal structure of human legumain (AEP) in complex with compound 11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine, ...
Authors:Dall, E, Ye, K, Brandstetter, H.
Deposit date:2016-09-08
Release date:2017-03-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
5LU8
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BU of 5lu8 by Molmil
CRYSTAL STRUCTURE OF YVAD-CMK BOUND HUMAN LEGUMAIN (AEP) IN COMPLEX WITH COMPOUND 11B
Descriptor: 2,4-di(morpholin-4-yl)aniline, 2-acetamido-2-deoxy-beta-D-glucopyranose, AC-TYR-VAL-ALA-ASP-CHLOROMETHYLKETONE, ...
Authors:Dall, E, Ye, K, Brandstetter, H.
Deposit date:2016-09-08
Release date:2017-03-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
5LU9
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BU of 5lu9 by Molmil
Crystal structure of YVAD-cmk bound human legumain (AEP) in complex with compound 11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine, AC-TYR-VAL-ALA-ASP-CHLOROMETHYLKETONE, ...
Authors:Dall, E, Ye, K, Brandstetter, H.
Deposit date:2016-09-08
Release date:2017-03-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Inhibition of delta-secretase improves cognitive functions in mouse models of Alzheimer's disease.
Nat Commun, 8, 2017
7ZBV
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BU of 7zbv by Molmil
Crystal structure of the peptidase domain of collagenase G from Clostridium histolyticum in complex with a diphosphonate-based inhibitor
Descriptor: CALCIUM ION, Collagenase ColG, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, ...
Authors:Schoenauer, E, Brandstetter, H.
Deposit date:2022-03-24
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery and Characterization of Synthesized and FDA-Approved Inhibitors of Clostridial and Bacillary Collagenases.
J.Med.Chem., 65, 2022

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