7LCU
 
 | | X-ray structure of Furin bound to BOS-318, a small molecule inhibitor | | Descriptor: | (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Campobasso, N, Reid, R. | | Deposit date: | 2021-01-11 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.24 Å) | | Cite: | A highly selective, cell-permeable furin inhibitor BOS-318 rescues key features of cystic fibrosis airway disease.
Cell Chem Biol, 29, 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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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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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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7O1Y
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6YD4
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7O1U
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7O1W
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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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5JXG
 | | Structure of the unliganded form of the proprotein convertase furin. | | Descriptor: | CALCIUM ION, CHLORIDE ION, Furin, ... | | Authors: | Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E. | | Deposit date: | 2016-05-13 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
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6YD7
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6YD2
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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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7O20
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7O22
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4Z2A
 | | Crystal structure of unglycosylated apo human furin @1.89A | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Furin, ... | | Authors: | Gampe, R.T, Pearce, K, Reid, R. | | Deposit date: | 2015-03-29 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | BacMam production and crystal structure of nonglycosylated apo human furin at 1.89A resolution
Acta Crystallogr.,Sect.F, 2019
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6EQV
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6HZA
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6HZD
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5MIM
 | | Xray structure of human furin bound with the 2,5-dideoxystreptamine derived small molecule inhibitor 1n | | Descriptor: | 1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Dahms, S.O, Guan-Sheng, J, Than, M.E. | | Deposit date: | 2016-11-28 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural Studies Revealed Active Site Distortions of Human Furin by a Small Molecule Inhibitor.
ACS Chem. Biol., 12, 2017
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6HZB
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