7NPL
 
 | | ALPHA-1 ANTITRYPSIN (C232S) COMPLEXED WITH cmpd 11 | | Descriptor: | Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide | | Authors: | Chung, C. | | Deposit date: | 2021-02-27 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding.
Bioorg.Med.Chem.Lett., 41, 2021
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7NPK
 | | ALPHA-1 ANTITRYPSIN C232S COMPLEXED WITH CMPD3 | | Descriptor: | Alpha-1-antitrypsin, GLYCEROL, N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide | | Authors: | Chung, C. | | Deposit date: | 2021-02-27 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | The development of highly potent and selective small molecule correctors of Z alpha 1 -antitrypsin misfolding.
Bioorg.Med.Chem.Lett., 41, 2021
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6H8M
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1TGN
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3DRU
 | | Crystal Structure of Gly117Phe Alpha1-Antitrypsin | | Descriptor: | Alpha-1-antitrypsin | | Authors: | Gooptu, B, Nobeli, I, Purkiss, A, Phillips, R.L, Mallya, M, Lomas, D.A, Barrett, T.E. | | Deposit date: | 2008-07-11 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystallographic and cellular characterisation of two mechanisms stabilising the native fold of alpha1-antitrypsin: implications for disease and drug design.
J.Mol.Biol., 387, 2009
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4CAA
 | | CLEAVED ANTICHYMOTRYPSIN T345R | | Descriptor: | ANTICHYMOTRYPSIN | | Authors: | Lukacs, C.M, Christianson, D.W. | | Deposit date: | 1997-08-14 | | Release date: | 1998-02-25 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Engineering an anion-binding cavity in antichymotrypsin modulates the "spring-loaded" serpin-protease interaction.
Biochemistry, 37, 1998
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3T1P
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1ATU
 | | UNCLEAVED ALPHA-1-ANTITRYPSIN | | Descriptor: | ALPHA-1-ANTITRYPSIN | | Authors: | Ryu, S.-E, Choi, H.-J. | | Deposit date: | 1997-05-11 | | Release date: | 1997-08-20 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The native strains in the hydrophobic core and flexible reactive loop of a serine protease inhibitor: crystal structure of an uncleaved alpha1-antitrypsin at 2.7 A.
Structure, 4, 1996
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5XOZ
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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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1UTO
 | | Trypsin specificity as elucidated by LIE calculations, X-ray structures and association constant measurements | | Descriptor: | 2-PHENYLETHYLAMINE, CALCIUM ION, GLYCEROL, ... | | Authors: | Leiros, H.-K.S, Brandsdal, B.O, Andersen, O.A, Os, V, Leiros, I, Helland, R, Otlewski, J, Willassen, N.P, Smalas, A.O. | | Deposit date: | 2003-12-09 | | Release date: | 2004-01-15 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Trypsin Specificity as Elucidated by Lie Calculations, X-Ray Structures, and Association Constant Measurements
Protein Sci., 13, 2004
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6KV2
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2P8O
 | | Crystal Structure of a Benzohydroxamic Acid/Vanadate complex bound to chymotrypsin A | | Descriptor: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | | Authors: | Moulin, A, Bell, J.H, Pratt, R.F, Ringe, D. | | Deposit date: | 2007-03-22 | | Release date: | 2007-05-08 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Inhibition of chymotrypsin by a complex of ortho-vanadate and benzohydroxamic Acid: structure of the inert complex and its mechanistic interpretation.
Biochemistry, 46, 2007
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7PH1
 | | Trypsin in complex with BPTI mutant (2S)-2-amino-4-monofluorobutanoic acid | | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | | Authors: | Dimos, N, Leppkes, J, Koksch, B, Loll, B. | | Deposit date: | 2021-08-16 | | Release date: | 2022-03-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.18 Å) | | Cite: | Water Network in the Binding Pocket of Fluorinated BPTI-Trypsin Complexes─Insights from Simulation and Experiment.
J.Phys.Chem.B, 126, 2022
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4U32
 | | Human mesotrypsin complexed with HAI-2 Kunitz domain 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Kunitz-type protease inhibitor 2, ... | | Authors: | Wang, R, Soares, A.S, Radisky, E.S. | | Deposit date: | 2014-07-18 | | Release date: | 2014-10-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Sequence and Conformational Specificity in Substrate Recognition: SEVERAL HUMAN KUNITZ PROTEASE INHIBITOR DOMAINS ARE SPECIFIC SUBSTRATES OF MESOTRYPSIN.
J.Biol.Chem., 289, 2014
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4U30
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7QIT
 | | CRYSTAL STRUCTURE OF THE P1 trifluoroethylglycine (TfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | | Descriptor: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | | Authors: | Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B. | | Deposit date: | 2021-12-15 | | Release date: | 2022-03-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin.
Rsc Chem Biol, 3, 2022
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7QIQ
 | | CRYSTAL STRUCTURE OF THE P1 aminobutanoic acid (ABU) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | | Descriptor: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | | Authors: | Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B. | | Deposit date: | 2021-12-15 | | Release date: | 2022-03-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin.
Rsc Chem Biol, 3, 2022
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7QIR
 | | CRYSTAL STRUCTURE OF THE P1 monofluorethylglycine(MfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | | Descriptor: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | | Authors: | Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B. | | Deposit date: | 2021-12-15 | | Release date: | 2022-03-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin.
Rsc Chem Biol, 3, 2022
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7QIS
 | | CRYSTAL STRUCTURE OF THE P1 difluoroethylglycine (DfeGly) BPTI MUTANT- BOVINE CHYMOTRYPSIN COMPLEX | | Descriptor: | Chymotrypsin A chain A, Chymotrypsin A chain B, Chymotrypsin A chain C, ... | | Authors: | Dimos, N, Leppkes, J, Koksch, B, Wahl, M.C, Loll, B. | | Deposit date: | 2021-12-15 | | Release date: | 2022-03-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Fluorine-induced polarity increases inhibitory activity of BPTI towards chymotrypsin.
Rsc Chem Biol, 3, 2022
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5JYI
 | | Trypsin bound with succinic acid at 1.9A | | Descriptor: | CALCIUM ION, Cationic trypsin, SODIUM ION, ... | | Authors: | Manohar, R, Kutumbarao, N.H.V, KarthiK, L, Malathy, P, Velmurugan, D, Gunasekaran, K. | | Deposit date: | 2016-05-14 | | Release date: | 2016-07-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.914 Å) | | Cite: | Trypsin bound with succinic acid at 1.9A
To Be Published
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5CHA
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6YIX
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6YIV
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6YIW
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