7O50
| 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
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7QXZ
| 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
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7QY1
| 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
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7QXY
| 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
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7QY0
| 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
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7QY2
| 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
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8AE4
| 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
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8AE5
| 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
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7ZOC
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8B4W
| 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
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8B4X
| 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
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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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1JH1
| Crystal Structure of MMP-8 complexed with a 6H-1,3,4-thiadiazine derived inhibitor | Descriptor: | BUT-3-ENYL-[5-(4-CHLORO-PHENYL)-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-YLIDENE]-AMINE, CALCIUM ION, Matrix Metalloproteinase 8, ... | Authors: | Schroder, J, Henke, A, Wenzel, H, Brandstetter, H, Stammler, H.G, Stammler, A, Pfeiffer, W.D, Tschesche, H. | Deposit date: | 2001-06-27 | Release date: | 2001-12-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based design and synthesis of potent matrix metalloproteinase inhibitors derived from a 6H-1,3,4-thiadiazine scaffold. J.Med.Chem., 44, 2001
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5JB9
| 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
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5LPE
| 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
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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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5MS3
| 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
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5MS4
| 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
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1J2Q
| 20S proteasome in complex with calpain-Inhibitor I from archaeoglobus fulgidus | Descriptor: | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-BUTYL]-AMIDE, Proteasome alpha subunit, Proteasome beta subunit | Authors: | Groll, M, Brandstetter, H, Bartunik, H, Bourenkow, G, Huber, R. | Deposit date: | 2003-01-08 | Release date: | 2003-03-18 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Investigations on the Maturation and Regulation of Archaebacterial Proteasomes J.MOL.BIOL., 327, 2003
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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
| 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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4N6M
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2WPI
| 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
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2WPM
| 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
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2WPH
| 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
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