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5JBC
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BU of 5jbc by Molmil
Crystal structure of factor IXa variant V16I K98T Y177T I213V in complex with PPACK
Descriptor: CALCIUM ION, Coagulation factor IX, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
Authors:Kristensen, L.H, Brandstetter, H.
Deposit date:2016-04-13
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Releasing the brakes in coagulation Factor IXa by co-operative maturation of the substrate-binding site.
Biochem.J., 473, 2016
5JBA
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BU of 5jba by Molmil
Crystal structure of factor IXa variant V16I K98T Y177T I212V in complex with PPACK
Descriptor: CALCIUM ION, Coagulation factor IX, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
Authors:Kristensen, L.H, Brandstetter, H.
Deposit date:2016-04-13
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Releasing the brakes in coagulation Factor IXa by co-operative maturation of the substrate-binding site.
Biochem.J., 473, 2016
2WPJ
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BU of 2wpj by Molmil
factor IXa superactive triple mutant, NaCl-soaked
Descriptor: CALCIUM ION, COAGULATION FACTOR IXA HEAVY CHAIN, COAGULATION FACTOR IXA LIGHT CHAIN, ...
Authors:Zogg, T, Brandstetter, H.
Deposit date:2009-08-06
Release date:2009-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis of the Cofactor- and Substrate-Assisted Activation of Human Coagulation Factor Ixa
Structure, 17, 2009
2WPI
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BU of 2wpi by Molmil
factor IXa superactive double mutant
Descriptor: CALCIUM ION, COAGULATION FACTOR IXA HEAVY CHAIN, COAGULATION FACTOR IXA LIGHT CHAIN, ...
Authors:Zogg, T, Brandstetter, H.
Deposit date:2009-08-06
Release date:2009-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Basis of the Cofactor- and Substrate-Assisted Activation of Human Coagulation Factor Ixa
Structure, 17, 2009
2WPH
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BU of 2wph by Molmil
factor IXa superactive triple mutant
Descriptor: CALCIUM ION, COAGULATION FACTOR IXA HEAVY CHAIN, COAGULATION FACTOR IXA LIGHT CHAIN, ...
Authors:Zogg, T, Brandstetter, H.
Deposit date:2009-08-06
Release date:2009-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis of the Cofactor- and Substrate-Assisted Activation of Human Coagulation Factor Ixa
Structure, 17, 2009
2WPL
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BU of 2wpl by Molmil
factor IXa superactive triple mutant, EDTA-soaked
Descriptor: COAGULATION FACTOR IXA HEAVY CHAIN, COAGULATION FACTOR IXA LIGHT CHAIN, D-PHE-PRO-ARG-CHLOROMETHYL KETONE
Authors:Zogg, T, Brandstetter, H.
Deposit date:2009-08-06
Release date:2009-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural Basis of the Cofactor- and Substrate-Assisted Activation of Human Coagulation Factor Ixa
Structure, 17, 2009
2WPK
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BU of 2wpk by Molmil
factor IXa superactive triple mutant, ethylene glycol-soaked
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, COAGULATION FACTOR IXA HEAVY CHAIN, ...
Authors:Zogg, T, Brandstetter, H.
Deposit date:2009-08-06
Release date:2009-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural Basis of the Cofactor- and Substrate-Assisted Activation of Human Coagulation Factor Ixa
Structure, 17, 2009
2WPM
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BU of 2wpm by Molmil
factor IXa superactive mutant, EGR-CMK inhibited
Descriptor: CALCIUM ION, COAGULATION FACTOR IXA HEAVY CHAIN, COAGULATION FACTOR IXA LIGHT CHAIN, ...
Authors:Zogg, T, Brandstetter, H.
Deposit date:2009-08-06
Release date:2009-12-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis of the Cofactor- and Substrate-Assisted Activation of Human Coagulation Factor Ixa
Structure, 17, 2009
2Y3U
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BU of 2y3u by Molmil
Crystal structure of apo collagenase G from Clostridium histolyticum at 2.55 Angstrom resolution
Descriptor: CITRATE ANION, COLLAGENASE, DI(HYDROXYETHYL)ETHER, ...
Authors:Eckhard, U, Brandstetter, H.
Deposit date:2010-12-26
Release date:2011-09-28
Last modified:2011-10-19
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of Collagenase G Reveals a Chew-and -Digest Mechanism of Bacterial Collagenolysis
Nat.Struct.Mol.Biol., 18, 2011
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:2024-02-07
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:N-aryl-2-iso-butylmercaptoacetamides: the discovery of highly potent and selective inhibitors of P. aeruginosa virulence factor LasB and C. histolyticum virulence factor ColH
To Be Published
8AE4
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BU of 8ae4 by Molmil
Crystal structure of human legumain in complex with Clitocypin 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Clitocypin-2, ...
Authors:Elamin, T, Brandstetter, H, Dall, E.
Deposit date:2022-07-12
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structural and functional studies of legumain-mycocypin complexes revealed a competitive, exosite-regulated mode of interaction.
J.Biol.Chem., 298, 2022
8AE5
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BU of 8ae5 by Molmil
Crystal structure of human legumain in complex with macrocypin 1a
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:Elamin, T, Brandstetter, H, Dall, E.
Deposit date:2022-07-12
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural and functional studies of legumain-mycocypin complexes revealed a competitive, exosite-regulated mode of interaction.
J.Biol.Chem., 298, 2022
8B4W
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BU of 8b4w by Molmil
X-ray structure of furin (PCSK3) in complex with 1H-isoindol-3-amine
Descriptor: 1H-isoindol-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 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
8B4V
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BU of 8b4v by Molmil
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
8B4X
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BU of 8b4x by Molmil
X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-R-Tle-K-6-(aminomethyl)-3-amino-isoindol
Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
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
5JB9
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BU of 5jb9 by Molmil
Crystal structure of factor IXa K98T variant in complex with PPACK
Descriptor: CALCIUM ION, Coagulation factor IX, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, ...
Authors:Kristensen, L.H, Brandstetter, H.
Deposit date:2016-04-13
Release date:2016-06-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Releasing the brakes in coagulation Factor IXa by co-operative maturation of the substrate-binding site.
Biochem.J., 473, 2016
5LPF
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BU of 5lpf by Molmil
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
5LPE
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BU of 5lpe by Molmil
Kallikrein-related peptidase 10 complex with Zn2+
Descriptor: Kallikrein-10, SULFATE ION, ZINC 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 (2.65 Å)
Cite:Structural basis for the Zn2+ inhibition of the zymogen-like kallikrein-related peptidase 10.
Biol.Chem., 397, 2016
5MS3
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BU of 5ms3 by Molmil
Kallikrein-related peptidase 8 calcium complex
Descriptor: CALCIUM ION, Kallikrein-8
Authors:Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P.
Deposit date:2016-12-30
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Specificity profiles and antagonistic Ca2+ and Zn2+ regulation of human KLK8/neuropsin activity by modules identified in crystal structures
To Be Published
5MS4
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BU of 5ms4 by Molmil
Kallikrein-related peptidase 8 leupeptin inhibitor complex
Descriptor: CALCIUM ION, Kallikrein-8, LEUPEPTIN, ...
Authors:Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P.
Deposit date:2016-12-30
Release date:2018-01-17
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural determinants of specificity and regulation of activity in the allosteric loop network of human KLK8/neuropsin.
Sci Rep, 8, 2018
4N6L
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BU of 4n6l by Molmil
Crystal structure of human cystatin E/M
Descriptor: Cystatin-M
Authors:Dall, E, Brandstetter, H.
Deposit date:2013-10-14
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.952 Å)
Cite:Structure and mechanism of an aspartimide-dependent Peptide ligase in human legumain.
Angew.Chem.Int.Ed.Engl., 54, 2015
4N1J
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BU of 4n1j by Molmil
Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions
Descriptor: GLYCEROL, NACHT, LRR and PYD domains-containing protein 14
Authors:Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H.
Deposit date:2013-10-04
Release date:2014-07-16
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions.
Acta Crystallogr.,Sect.D, 70, 2014
4N6M
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BU of 4n6m by Molmil
Crystal structure of human cystatin E/M produced in LEXSY
Descriptor: Cystatin-M, SULFATE ION
Authors:Dall, E, Brandstetter, H.
Deposit date:2013-10-14
Release date:2015-02-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and mechanism of an aspartimide-dependent Peptide ligase in human legumain.
Angew.Chem.Int.Ed.Engl., 54, 2015
4N6O
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BU of 4n6o by Molmil
Crystal structure of reduced legumain in complex with cystatin E/M
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IODIDE ION, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dall, E, Brandstetter, H.
Deposit date:2013-10-14
Release date:2015-02-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and mechanism of an aspartimide-dependent Peptide ligase in human legumain.
Angew.Chem.Int.Ed.Engl., 54, 2015
4N1L
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BU of 4n1l by Molmil
Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions
Descriptor: NACHT, LRR and PYD domains-containing protein 14
Authors:Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H.
Deposit date:2013-10-04
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions.
Acta Crystallogr.,Sect.D, 70, 2014

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