4VGC
| GAMMA-CHYMOTRYPSIN D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | Descriptor: | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | Deposit date: | 1997-05-01 | Release date: | 1997-11-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes. Biochemistry, 37, 1998
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8LPR
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8R8D
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9EST
| STRUCTURAL STUDY OF PORCINE PANCREATIC ELASTASE COMPLEXED WITH 7-AMINO-3-(2-BROMOETHOXY)-4-CHLOROISOCOUMARIN AS A NONREACTIVATABLE DOUBLY COVALENT ENZYME-INHIBITOR COMPLEX | Descriptor: | (2-BROMOETHYL)(2-'FORMYL-4'-AMINOPHENYL) ACETATE, CALCIUM ION, PORCINE PANCREATIC ELASTASE, ... | Authors: | Radhakrishnan, R, Powers, J.C, Meyer Jr, E.F. | Deposit date: | 1991-01-14 | Release date: | 1994-01-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural study of porcine pancreatic elastase complexed with 7-amino-3-(2-bromoethoxy)-4-chloroisocoumarin as a nonreactivatable doubly covalent enzyme-inhibitor complex. Biochemistry, 30, 1991
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9LPR
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8YGY
| Structure of the KLK1 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, Kallikrein-1, SULFATE ION, ... | Authors: | Wang, F, Cheng, W, Lv, Z, Meng, Q, Xu, Y. | Deposit date: | 2024-02-27 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Structure of the KLK1 from Biortus. To Be Published
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8UO7
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8UTL
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7N7X
| Crystal structure of BCX7353(ORLADEYO) in complex with human plasma kallikrein serine protease domain at 2.1 angstrom resolution | Descriptor: | Orladeyo, PHOSPHATE ION, Plasma kallikrein light chain | Authors: | Krishnan, R, Yarlagadda, B.S, Kotian, P, Polach, K.J, Zhang, W. | Deposit date: | 2021-06-11 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.097 Å) | Cite: | Berotralstat (BCX7353): Structure-Guided Design of a Potent, Selective, and Oral Plasma Kallikrein Inhibitor to Prevent Attacks of Hereditary Angioedema (HAE). J.Med.Chem., 64, 2021
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6NMB
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6NVB
| Crystal structure of the inhibitor-free form of the serine protease kallikrein-4 | Descriptor: | GLYCEROL, Kallikrein-4, SULFATE ION | Authors: | Riley, B.T, Buckle, A.M, McGowan, S. | Deposit date: | 2019-02-04 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.636 Å) | Cite: | Crystal structure of the inhibitor-free form of the serine protease kallikrein-4. Acta Crystallogr.,Sect.F, 75, 2019
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6O21
| Crystal Structure of Human KLK4 in Complex With Cleaved SFTI-FCQR(Asn14)[1,14] Inhibitor | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Kallikrein 4 (Prostase, enamel matrix, ... | Authors: | Ilyichova, O.V, Buckle, A.M. | Deposit date: | 2019-02-22 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors. Biochemistry, 58, 2019
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6O1S
| Structure of human plasma kallikrein protease domain with inhibitor | Descriptor: | 1,2-ETHANEDIOL, N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-({4-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)-1H-pyrazole-4-carboxamide, PHOSPHATE ION, ... | Authors: | Partridge, J.R, Choy, R.M. | Deposit date: | 2019-02-21 | Release date: | 2019-03-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of full-length plasma kallikrein bound to highly specific inhibitors describe a new mode of targeted inhibition. J.Struct.Biol., 206, 2019
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6P0P
| Human beta-tryptase co-crystal structure with 5-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}-2-(3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}-[1,1'-biphenyl]-3-yl)-2-hydroxy-2H-1,3,2-benzodioxaborol-2-uide | Descriptor: | (3'-{4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl}[1,1'-biphenyl]-3-yl){4-[3-(aminomethyl)phenyl]piperidin-1-yl}[3,4-di(hydroxy-kappaO)phenyl]methanonato(2-)hydroxyborate(1-), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, ... | Authors: | Giardina, S.F, Pingle, M.R, Werner, D.S, Feinberg, P.B, Foreman, K.W, Bergstrom, D.E, Arnold, L.D, Barany, F. | Deposit date: | 2019-05-17 | Release date: | 2020-03-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Novel, Self-Assembling Dimeric Inhibitors of Human beta Tryptase. J.Med.Chem., 63, 2020
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6Q8S
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6QH9
| Crystal Structure of Human Kallikrein 6 in complex with GSK3239861A | Descriptor: | (3~{R})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide, (3~{S})-~{N}-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidine-3-carboxamide, GLYCEROL, ... | Authors: | Thorpe, J.H. | Deposit date: | 2019-01-16 | Release date: | 2019-02-06 | Last modified: | 2019-02-27 | Method: | X-RAY DIFFRACTION (2.27 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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8EST
| REACTION OF PORCINE PANCREATIC ELASTASE WITH 7-SUBSTITUTED 3-ALKOXY-4-CHLOROISOCOUMARINS: DESIGN OF POTENT INHIBITORS USING THE CRYSTAL STRUCTURE OF THE COMPLEX FORMED WITH 4-CHLORO-3-ETHOXY-7-GUANIDINO-ISOCOUMARIN | Descriptor: | CALCIUM ION, ETHYL-(2-CARBOXY-4-GUANIDINIUM-PHENYL)-CHLOROACETATE, PORCINE PANCREATIC ELASTASE, ... | Authors: | Radhakrishnan, R, Powers, J.C, Meyerjunior, E.F. | Deposit date: | 1990-02-21 | Release date: | 1992-10-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Reaction of porcine pancreatic elastase with 7-substituted 3-alkoxy-4-chloroisocoumarins: design of potent inhibitors using the crystal structure of the complex formed with 4-chloro-3-ethoxy-7-guanidinoisocoumarin. Biochemistry, 29, 1990
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8F7V
| Macrocyclic plasmin inhibitor | Descriptor: | (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(benzenesulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide, GLYCEROL, Plasminogen, ... | Authors: | Guojie, W. | Deposit date: | 2022-11-20 | Release date: | 2023-02-08 | Last modified: | 2023-06-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Synthesis and structural characterization of new macrocyclicplasmin inhibitors Chemmedchem, 2023
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8F7U
| Macrocyclic Plasmin Inhibitor | Descriptor: | (5S,8R,18S,21R)-N-{[4-(aminomethyl)phenyl]methyl}-21-[(benzenesulfonyl)amino]-3,11,20-trioxo-2,5,8,12,19-pentaazatetracyclo[21.2.2.2~5,8~.2~13,16~]hentriaconta-1(25),13,15,23,26,28-hexaene-18-carboxamide, Activation peptide, GLYCEROL, ... | Authors: | Guojie, W. | Deposit date: | 2022-11-20 | Release date: | 2023-02-08 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Synthesis and structural characterization of new macrocyclicplasmin inhibitors Chemmedchem, 2023
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8GCH
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8G1W
| Crystal Structure Matriptase (C731S) in Complex with Inhibitor VD4162B | Descriptor: | CHLORIDE ION, Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(KCM), Cyclic peptide inhibitor (ACE)Y(DTR)(NLE)(THZ), ... | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Janetka, J.W. | Deposit date: | 2023-02-03 | Release date: | 2024-02-07 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Mechanism-Based Macrocyclic Inhibitors of Serine Proteases. J.Med.Chem., 67, 2024
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7Q0X
| Bovine Trypsin co-crystallized with V(IV)OSO4 and pic | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | Deposit date: | 2021-10-16 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications. Chemistry, 28, 2022
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7Q0W
| Bovine Trypsin co-crystallized with V(IV)OSO4 and phen | Descriptor: | 1,10-PHENANTHROLINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Santos, M.F.A, Fernandes, A.C.P, Correia, I, Sciortino, G, Garribba, E, Santos-Silva, T, Pessoa, J.C. | Deposit date: | 2021-10-16 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Binding of V IV O 2+ , V IV OL, V IV OL 2 and V V O 2 L Moieties to Proteins: X-ray/Theoretical Characterization and Biological Implications. Chemistry, 28, 2022
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7PZO
| mite allergen Der p 3 from Dermatophagoides pteronyssinus | Descriptor: | SULFATE ION, mite allergen Der p 3 | Authors: | Timofeev, V.I, Shevtsov, M.B, Abramchik, Y.A, Mikheeva, O.O, Kostromina, M.A, Lykoshin, D.D, Zayats, E.A, Zavriev, S.K, Esipov, R.S, Kuranova, I.P. | Deposit date: | 2021-10-13 | Release date: | 2022-11-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural plasticity and thermal stability of the histone-like protein from Spiroplasma melliferum are due to phenylalanine insertions into the conservative scaffold. J.Biomol.Struct.Dyn., 36, 2018
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7QFT
| Crystal structure of KLK6 in complex with compound 16a | Descriptor: | KLK6 Activity-Based Probe (Ahx-DPhe-Cha-Dht-Arg-DPP), Kallikrein-6 | Authors: | Jagtap, P.K.A, Zhang, L, De Vita, E, Tate, E.W, Hennig, J. | Deposit date: | 2021-12-06 | Release date: | 2022-11-09 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | A KLK6 Activity-Based Probe Reveals a Role for KLK6 Activity in Pancreatic Cancer Cell Invasion. J.Am.Chem.Soc., 144, 2022
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