6FRR
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![BU of 6frr by Molmil](/molmil-images/mine/6frr) | 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
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1A85
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![BU of 1a85 by Molmil](/molmil-images/mine/1a85) | 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
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1A86
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![BU of 1a86 by Molmil](/molmil-images/mine/1a86) | 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
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1FAX
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![BU of 1fax by Molmil](/molmil-images/mine/1fax) | 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
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1JJ9
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![BU of 1jj9 by Molmil](/molmil-images/mine/1jj9) | 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
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1K32
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![BU of 1k32 by Molmil](/molmil-images/mine/1k32) | |
1PFX
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![BU of 1pfx by Molmil](/molmil-images/mine/1pfx) | 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
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6TRK
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![BU of 6trk by Molmil](/molmil-images/mine/6trk) | 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
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6O2X
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![BU of 6o2x by Molmil](/molmil-images/mine/6o2x) | 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
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5LUA
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![BU of 5lua by Molmil](/molmil-images/mine/5lua) | 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
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5LPF
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![BU of 5lpf by Molmil](/molmil-images/mine/5lpf) | Kallikrein-related peptidase 10 | Descriptor: | Kallikrein-10, SULFATE ION | Authors: | Goettig, P, Debela, M, Magdolen, V, Bode, W, Brandstetter, H. | Deposit date: | 2016-08-12 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for the Zn2+ inhibition of the zymogen-like kallikrein-related peptidase 10. Biol.Chem., 397, 2016
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4QIP
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![BU of 4qip by Molmil](/molmil-images/mine/4qip) | |
8OYH
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![BU of 8oyh by Molmil](/molmil-images/mine/8oyh) | 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
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4FGU
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![BU of 4fgu by Molmil](/molmil-images/mine/4fgu) | Crystal structure of prolegumain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Legumain | Authors: | Dall, E, Brandstetter, H. | Deposit date: | 2012-06-05 | Release date: | 2013-07-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.9 Å) | Cite: | Mechanistic and structural studies on legumain explain its zymogenicity, distinct activation pathways, and regulation. Proc.Natl.Acad.Sci.USA, 110, 2013
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1J2P
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![BU of 1j2p by Molmil](/molmil-images/mine/1j2p) | alpha-ring from the proteasome from archaeoglobus fulgidus | Descriptor: | Proteasome alpha subunit | Authors: | Groll, M, Brandstetter, H, Bartunik, H, Bourenkow, G, Huber, R. | Deposit date: | 2003-01-08 | Release date: | 2003-03-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Investigations on the Maturation and Regulation of Archaebacterial Proteasomes J.MOL.BIOL., 327, 2003
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1ITV
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![BU of 1itv by Molmil](/molmil-images/mine/1itv) | Dimeric form of the haemopexin domain of MMP9 | Descriptor: | MMP9, SULFATE ION | Authors: | Cha, H, Kopetzki, E, Huber, R, Lanzendoerfer, M, Brandstetter, H. | Deposit date: | 2002-02-11 | Release date: | 2002-09-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis of the adaptive molecular recognition by MMP9. J.Mol.Biol., 320, 2002
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6N3S
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![BU of 6n3s by Molmil](/molmil-images/mine/6n3s) | 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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2Y72
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![BU of 2y72 by Molmil](/molmil-images/mine/2y72) | |
6FK0
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![BU of 6fk0 by Molmil](/molmil-images/mine/6fk0) | |
4Z3L
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![BU of 4z3l by Molmil](/molmil-images/mine/4z3l) | |
4Z8W
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![BU of 4z8w by Molmil](/molmil-images/mine/4z8w) | |
3GDF
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![BU of 3gdf by Molmil](/molmil-images/mine/3gdf) | Crystal structure of the NADP-dependent mannitol dehydrogenase from Cladosporium herbarum. | Descriptor: | Probable NADP-dependent mannitol dehydrogenase, ZINC ION | Authors: | Nuess, D, Goettig, P, Magler, I, Denk, U, Breitenbach, M, Schneider, P.B, Brandstetter, H, Simon-Nobbe, B. | Deposit date: | 2009-02-24 | Release date: | 2010-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the NADP-dependent mannitol dehydrogenase from Cladosporium herbarum: Implications for oligomerisation and catalysis. Biochimie, 92, 2010
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3GDG
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![BU of 3gdg by Molmil](/molmil-images/mine/3gdg) | Crystal structure of the NADP-dependent mannitol dehydrogenase from Cladosporium herbarum. | Descriptor: | Probable NADP-dependent mannitol dehydrogenase, SODIUM ION | Authors: | Nuess, D, Goettig, P, Magler, I, Denk, U, Breitenbach, M, Schneider, P.B, Brandstetter, H, Simon-Nobbe, B. | Deposit date: | 2009-02-24 | Release date: | 2010-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the NADP-dependent mannitol dehydrogenase from Cladosporium herbarum: Implications for oligomerisation and catalysis. Biochimie, 92, 2010
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6YSA
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![BU of 6ysa by Molmil](/molmil-images/mine/6ysa) | 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
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8B4V
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![BU of 8b4v by Molmil](/molmil-images/mine/8b4v) | X-ray structure of furin (PCSK3) in complex with benzamidine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, CALCIUM ION, ... | Authors: | Dahms, S.O, Brandstetter, H. | Deposit date: | 2022-09-21 | Release date: | 2023-10-04 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors. Chemmedchem, 19, 2024
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