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1A85
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BU of 1a85 by Molmil
MMP8 WITH MALONIC AND ASPARAGINE BASED INHIBITOR
Descriptor: CALCIUM ION, MMP-8, N~1~-(3-aminobenzyl)-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-aspartamide, ...
Authors:Brandstetter, H, Roedern, E.G.V, Grams, F, Engh, R.A.
Deposit date:1998-04-03
Release date:1999-04-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of malonic acid-based inhibitors bound to human neutrophil collagenase. A new binding mode explains apparently anomalous data.
Protein Sci., 7, 1998
1A86
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BU of 1a86 by Molmil
MMP8 WITH MALONIC AND ASPARTIC ACID BASED INHIBITOR
Descriptor: CALCIUM ION, MMP-8, N-benzyl-N~2~-[(2R)-2-(hydroxycarbamoyl)-4-methylpentanoyl]-L-alpha-asparagine, ...
Authors:Brandstetter, H, Roedern, E.G.V, Grams, F, Engh, R.A.
Deposit date:1998-04-03
Release date:1999-05-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of malonic acid-based inhibitors bound to human neutrophil collagenase. A new binding mode explains apparently anomalous data.
Protein Sci., 7, 1998
1FAX
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BU of 1fax by Molmil
COAGULATION FACTOR XA INHIBITOR COMPLEX
Descriptor: (2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-({(3R)-1-[(1Z)-ethanimidoyl]pyrrolidin-3-yl}oxy)phenyl]propanoic acid, CALCIUM ION, FACTOR XA
Authors:Brandstetter, H, Engh, R.A.
Deposit date:1996-08-23
Release date:1997-10-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray structure of active site-inhibited clotting factor Xa. Implications for drug design and substrate recognition.
J.Biol.Chem., 271, 1996
1PFX
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BU of 1pfx by Molmil
PORCINE FACTOR IXA
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, FACTOR IXA
Authors:Brandstetter, H, Bauer, M, Huber, R, Lollar, P, Bode, W.
Deposit date:1995-07-19
Release date:1996-08-17
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-ray structure of clotting factor IXa: active site and module structure related to Xase activity and hemophilia B.
Proc.Natl.Acad.Sci.USA, 92, 1995
1JJ9
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BU of 1jj9 by Molmil
Crystal Structure of MMP8-Barbiturate Complex Reveals Mechanism for Collagen Substrate Recognition
Descriptor: 2-HYDROXY-5-[4-(2-HYDROXY-ETHYL)-PIPERIDIN-1-YL]-5-PHENYL-1H-PYRIMIDINE-4,6-DIONE, CALCIUM ION, Matrix Metalloproteinase 8, ...
Authors:Brandstetter, H, Grams, F, Glitz, D, Lang, A, Huber, R, Bode, W, Krell, H.-W, Engh, R.A.
Deposit date:2001-07-04
Release date:2001-08-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The 1.8-A crystal structure of a matrix metalloproteinase 8-barbiturate inhibitor complex reveals a previously unobserved mechanism for collagenase substrate recognition.
J.Biol.Chem., 276, 2001
1K32
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BU of 1k32 by Molmil
Crystal structure of the tricorn protease
Descriptor: tricorn protease
Authors:Brandstetter, H, Kim, J.-S, Groll, M, Huber, R.
Deposit date:2001-10-01
Release date:2001-12-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the tricorn protease reveals a protein disassembly line.
Nature, 414, 2001
1ETT
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BU of 1ett by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
Descriptor: 4-[(2S)-2-{[(4-methylphenyl)sulfonyl]amino}-3-oxo-3-(piperidin-1-yl)propyl]benzene-1-carboximidamide, EPSILON-THROMBIN
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2018-09-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
1ETS
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BU of 1ets by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
Descriptor: 1-[N-(naphthalen-2-ylsulfonyl)glycyl-4-carbamimidoyl-D-phenylalanyl]piperidine, EPSILON-THROMBIN
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
6FRR
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BU of 6frr by Molmil
Structural and immunological properties of the allergen Art v 3
Descriptor: Non-specific lipid-transfer protein, SULFATE ION
Authors:Brandstetter, H, Soh, W.T, Magler, I.
Deposit date:2018-02-16
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Boiling down the cysteine-stabilized LTP fold - loss of structural and immunological integrity of allergenic Art v 3 and Pru p 3 as a consequence of irreversible lanthionine formation.
Mol.Immunol., 116, 2019
1ETR
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BU of 1etr by Molmil
REFINED 2.3 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEXES FORMED WITH THE BENZAMIDINE AND ARGININE-BASED THROMBIN INHIBITORS NAPAP, 4-TAPAP AND MQPA: A STARTING POINT FOR IMPROVING ANTITHROMBOTICS
Descriptor: EPSILON-THROMBIN, amino{[(4S)-5-[(2R,4R)-2-carboxy-4-methylpiperidin-1-yl]-4-({[(3R)-3-methyl-1,2,3,4-tetrahydroquinolin-8-yl]sulfonyl}amino)-5-oxopentyl]amino}methaniminium
Authors:Bode, W, Brandstetter, H.
Deposit date:1992-07-06
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Refined 2.3 A X-ray crystal structure of bovine thrombin complexes formed with the benzamidine and arginine-based thrombin inhibitors NAPAP, 4-TAPAP and MQPA. A starting point for improving antithrombotics.
J.Mol.Biol., 226, 1992
6TRK
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BU of 6trk by Molmil
Phl p 6 fold stabilized mutant - S46Y
Descriptor: Pollen allergen Phl p 6, ZINC ION
Authors:Soh, W.T, Brandstetter, H.
Deposit date:2019-12-19
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:In silico Design of Phl p 6 Variants With Altered Fold-Stability Significantly Impacts Antigen Processing, Immunogenicity and Immune Polarization.
Front Immunol, 11, 2020
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
1N6D
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BU of 1n6d by Molmil
Tricorn protease in complex with tetrapeptide chloromethyl ketone derivative
Descriptor: DECANE, RVRK, Tricorn protease
Authors:Kim, J.-S, Groll, M, Huber, R, Brandstetter, H.
Deposit date:2002-11-10
Release date:2002-12-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Navigation Inside a Protease: Substrate Selection and Product Exit in the Tricorn Protease from Thermoplasma acidophilum
J.Mol.Biol., 324, 2002
7ZOC
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BU of 7zoc by Molmil
Crystal structure of the peptidase domain of collagenase H from Clostridium histolyticum in complex with N-aryl-2-alkylmercaptoacetamide-based inhibitor
Descriptor: CALCIUM ION, Collagenase ColH, ZINC ION, ...
Authors:Schoenauer, E, Brandstetter, H.
Deposit date:2022-04-25
Release date:2023-05-10
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:N-Aryl-2-iso-butylmercaptoacetamides: the discovery of highly potent and selective inhibitors of Pseudomonas aeruginosa virulence factor LasB and Clostridium histolyticum virulence factor ColH
Chemrxiv, 2022
6O2X
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BU of 6o2x by Molmil
Structure of cruzain bound to MMTS inhibitor
Descriptor: 1,2-ETHANEDIOL, Cruzipain, PHOSPHATE ION
Authors:Silva, E.B, Dall, E, Ferreira, R.S, Brandstetter, H.
Deposit date:2019-02-25
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.193 Å)
Cite:Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design.
Acta Crystallogr.,Sect.F, 75, 2019
4QIP
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BU of 4qip by Molmil
Crystal Structure of Major Birch Pollen Allergen Bet v 1 isoform a in complex with Sodium Dodecyl Sulfate
Descriptor: DODECYL SULFATE, Major pollen allergen Bet v 1-A, SULFATE ION
Authors:Freier, R.A, Kofler, S.G, Brandstetter, H.
Deposit date:2014-06-01
Release date:2015-01-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Ligand binding modulates the structural dynamics and compactness of the major birch pollen allergen
Biophys.J., 107, 2014
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
6FK0
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BU of 6fk0 by Molmil
Xray structure of domain-swapped cystatin E dimer
Descriptor: Cystatin-M
Authors:Dall, E, Brandstetter, H.
Deposit date:2018-01-23
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and functional analysis of cystatin E reveals enzymologically relevant dimer and amyloid fibril states.
J. Biol. Chem., 293, 2018
8OYH
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BU of 8oyh by Molmil
X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-Can-Tle-Can-6-(aminomethyl)-3-amino-isoindol
Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Dahms, S.O, Brandstetter, H.
Deposit date:2023-05-04
Release date:2024-03-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Chemmedchem, 19, 2024
4BQD
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BU of 4bqd by Molmil
KD1 of human TFPI in complex with a synthetic peptide
Descriptor: GLYCEROL, PEPTIDE, TISSUE FACTOR PATHWAY INHIBITOR (LIPOPROTEIN-ASSOCIATED COAGULATION INHIBITOR) VARIANT
Authors:Griessner, A, Brandstetter, H.
Deposit date:2013-05-30
Release date:2013-12-04
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Small Peptides Blocking Inhibition of Factor Xa and Tissue Factor-Factor Viia by Tissue Factor Pathway Inhibitor (Tfpi)
J.Biol.Chem., 289, 2014
2Y6I
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BU of 2y6i by Molmil
Crystal Structure of Collagenase G from Clostridium histolyticum in complex with Isoamylphosphonyl-Gly-Pro-Ala at 3.25 Angstrom Resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CITRATE ANION, COLLAGENASE, ...
Authors:Eckhard, U, Brandstetter, H.
Deposit date:2011-01-21
Release date:2011-09-28
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Structure of Collagenase G Reveals a Chew-and -Digest Mechanism of Bacterial Collagenolysis
Nat.Struct.Mol.Biol., 18, 2011
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
7Z5U
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BU of 7z5u by Molmil
Crystal structure of the peptidase domain of collagenase G from Clostridium histolyticum in complex with a hydroxamate-based inhibitor
Descriptor: (2~{R})-~{N}-[2-[4-[(2-acetamidophenoxy)methyl]-1,2,3-triazol-1-yl]ethyl]-2-(2-methylpropyl)-~{N}'-oxidanyl-propanediamide, CALCIUM ION, Collagenase ColG, ...
Authors:Schoenauer, E, Brandstetter, H.
Deposit date:2022-03-10
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Characterization of Synthesized and FDA-Approved Inhibitors of Clostridial and Bacillary Collagenases.
J.Med.Chem., 65, 2022
6N3S
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BU of 6n3s by Molmil
Crystal structure of apo-cruzain
Descriptor: 1,2-ETHANEDIOL, Cruzipain, PHOSPHATE ION
Authors:Silva, E.B, Dall, E, Rodrigues, F.T.G, Ferreira, R.S, Brandstetter, H.
Deposit date:2018-11-16
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.193 Å)
Cite:Cruzain structures: apocruzain and cruzain bound to S-methyl thiomethanesulfonate and implications for drug design.
Acta Crystallogr.,Sect.F, 75, 2019

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