6QFE
 
 | | Crystal Structure of Human Kallikrein 5 in complex with GSK144 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, ... | | Authors: | Thorpe, J.H. | | Deposit date: | 2019-01-10 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019
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6QHC
 | | Crystal Structure of Human Kallikrein 6 in complex with GSK358180B | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Kallikrein-6, ... | | Authors: | Thorpe, J.H. | | Deposit date: | 2019-01-16 | | Release date: | 2019-02-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Kallikrein 5 inhibitors identified through structure based drug design in search for a treatment for Netherton Syndrome.
Bioorg. Med. Chem. Lett., 29, 2019
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6QFF
 | | Crystal Structure of Human Kallikrein 6 in complex with GSK144 | | Descriptor: | 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6 | | Authors: | Thorpe, J.H. | | Deposit date: | 2019-01-10 | | Release date: | 2019-05-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Acta Crystallogr.,Sect.F, 75, 2019
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6L04
 | | Crystal structure of uPA_H99Y in complex with 31F | | Descriptor: | 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator | | Authors: | Buckley, B, Jiang, L.G, Huang, M.D, Kelso, M, Ranson, M. | | Deposit date: | 2019-09-26 | | Release date: | 2020-09-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystal structure of uPA_H99Y in complex with 31F
To Be Published
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6L63
 | | Human Coagulation Factor XIIa (FXIIa) bound with the macrocyclic peptide F3 containing two (1S,2S)-2-ACHC residues | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL GROUP, ... | | Authors: | Sengoku, T, Katoh, T, Hirata, K, Suga, H, Ogata, K. | | Deposit date: | 2019-10-26 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Ribosomal synthesis and de novo discovery of bioactive foldamer peptides containing cyclic beta-amino acids.
Nat.Chem., 12, 2020
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6LPR
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6N4T
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6MRQ
 | | Structure of ToPI1 inhibitor from Tityus obscurus scorpion venom in complex with trypsin | | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | | Authors: | Fernandes, J.C, Mourao, C.B.F, Schwartz, E.F, Barbosa, J.A.R.G. | | Deposit date: | 2018-10-15 | | Release date: | 2020-07-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.288 Å) | | Cite: | Head-to-Tail Cyclization after Interaction with Trypsin: A Scorpion Venom Peptide that Resembles Plant Cyclotides.
J.Med.Chem., 63, 2020
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6NMB
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6VXY
 | | Triazole bridged SFTI1 inhibitor in complex with beta-trypsin | | Descriptor: | 1-methyl-1H-1,2,3-triazole, CALCIUM ION, Cationic trypsin, ... | | Authors: | White, A.M, King, G.J, Durek, T, Craik, D.J. | | Deposit date: | 2020-02-25 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.398 Å) | | Cite: | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.
Angew.Chem.Int.Ed.Engl., 2020
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6X0S
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6X0T
 | | Structure of human plasma factor XIIa in complex with (2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide (compound 8h) | | Descriptor: | (2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide, Coagulation factor XII, SULFATE ION | | Authors: | Orth, P. | | Deposit date: | 2020-05-17 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.388 Å) | | Cite: | Structure of human plasma factor XIIa in complex with (2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide (compound 8h)
To Be Published
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6XYK
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6XYG
 | | Femtosecond structure of bovine trypsin at room temperature | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Jensen, M. | | Deposit date: | 2020-01-30 | | Release date: | 2021-02-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.50000238 Å) | | Cite: | High-resolution macromolecular crystallography at the FemtoMAX beamline with time-over-threshold photon detection
J.Synchrotron Radiat., 2021
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6XVD
 | | Crystal structure of complex of urokinase and a upain-1 variant(W3F) in pH7.4 condition | | Descriptor: | Urokinase-type plasminogen activator, upain-1-W3F | | Authors: | Xue, G.P, Xie, X, Zhou, Y, Yuan, C, Huang, M.D, Jiang, L.G. | | Deposit date: | 2020-01-21 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Insight to the residue in P2 position prevents the peptide inhibitor from being hydrolyzed by serine proteases.
Biosci.Biotechnol.Biochem., 84, 2020
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6YIX
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6YIV
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6YIW
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6YIS
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6Y4S
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1J17
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1J14
 | | BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99RT | | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | | Authors: | Stubbs, M.T. | | Deposit date: | 2002-11-30 | | Release date: | 2002-12-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity
J.MOL.BIOL., 325, 2003
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1J8A
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1INC
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7U5B
 | | Structure of Human KLK5 bound to anti-KLK5 Fab | | Descriptor: | Kallikrein-5, SULFATE ION, anti-KLK5 Fab Heavy Chain, ... | | Authors: | Yin, J, Sudhamsu, J. | | Deposit date: | 2022-03-02 | | Release date: | 2022-12-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.371 Å) | | Cite: | Dual antibody inhibition of KLK5 and KLK7 for Netherton syndrome and atopic dermatitis.
Sci Transl Med, 14, 2022
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