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1GHB
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BU of 1ghb by Molmil
A SECOND ACTIVE SITE IN CHYMOTRYPSIN? THE X-RAY CRYSTAL STRUCTURE OF N-ACETYL-D-TRYPTOPHAN BOUND TO GAMMA-CHYMOTRYPSIN
Descriptor: ACETYL GROUP, GAMMA-CHYMOTRYPSIN, HEXANE, ...
Authors:Yennawar, H.P, Yennawar, N.H, Farber, G.K.
Deposit date:1994-04-06
Release date:1994-06-22
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:A STRUCTURAL EXPLANATION FOR ENZYME MEMORY IN NONAQUEOUS SOLVENTS.
J.Am.Chem.Soc., 117, 1995
2BI6
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BU of 2bi6 by Molmil
NMR STUDY OF BROMELAIN INHIBITOR VI FROM PINEAPPLE STEM
Descriptor: BROMELAIN INHIBITOR VI
Authors:Hatano, K.-I.
Deposit date:1995-12-07
Release date:1996-04-03
Last modified:2017-11-29
Method:SOLUTION NMR
Cite:Solution structure of bromelain inhibitor IV from pineapple stem: structural similarity with Bowman-Birk trypsin/chymotrypsin inhibitor from soybean.
Biochemistry, 35, 1996
3N0K
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BU of 3n0k by Molmil
Proteinase inhibitor from Coprinopsis cinerea
Descriptor: Serine protease inhibitor 1
Authors:Renko, M, Sabotic, J, Bleuler-Martinez, S, Kallert, S, Avanzo, P, Kos, J, Aebi, M, Kuenzler, M, Turk, D.
Deposit date:2010-05-14
Release date:2011-06-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of Trypsin Inhibition and Entomotoxicity of Cospin, Serine Protease Inhibitor Involved in Defense of Coprinopsis cinerea Fruiting Bodies.
J.Biol.Chem., 287, 2012
1FXY
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BU of 1fxy by Molmil
COAGULATION FACTOR XA-TRYPSIN CHIMERA INHIBITED WITH D-PHE-PRO-ARG-CHLOROMETHYLKETONE
Descriptor: COAGULATION FACTOR XA-TRYPSIN CHIMERA, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
Authors:Hopfner, K.P, Kopetzki, E, Kresse, G.-B, Huber, R, Bode, W, Engh, R.A.
Deposit date:1998-04-22
Release date:1998-06-17
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:New enzyme lineages by subdomain shuffling.
Proc.Natl.Acad.Sci.USA, 95, 1998
1K21
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BU of 1k21 by Molmil
HUMAN THROMBIN-INHIBITOR COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ...
Authors:Stubbs, M.T, Musil, D.
Deposit date:2001-09-26
Release date:2002-05-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1K22
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BU of 1k22 by Molmil
HUMAN THROMBIN-INHIBITOR COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin variant-2, Prothrombin, ...
Authors:Stubbs, M.T, Musil, D.
Deposit date:2001-09-26
Release date:2002-05-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
J.Mol.Biol., 313, 2001
1EST
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BU of 1est by Molmil
THE ATOMIC STRUCTURE OF CRYSTALLINE PORCINE PANCREATIC ELASTASE AT 2.5 ANGSTROMS RESOLUTION. COMPARISONS WITH THE STRUCTURE OF ALPHA-CHYMOTRYPSIN
Descriptor: PARA-TOLUENE SULFONATE, PORCINE PANCREATIC ELASTASE, SULFATE ION
Authors:Sawyer, L, Shotton, D.M, Watson, H.C.
Deposit date:1976-05-17
Release date:1976-05-27
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The atomic structure of crystalline porcine pancreatic elastase at 2.5 A resolution: comparisons with the structure of alpha-chymotrypsin.
J.Mol.Biol., 118, 1978
1OS1
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BU of 1os1 by Molmil
Structure of Phosphoenolpyruvate Carboxykinase complexed with ATP,Mg, Ca and pyruvate.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ...
Authors:Sudom, A, Walters, R, Pastushok, L, Goldie, D, Prasad, L, Delbaere, L.T, Goldie, H.
Deposit date:2003-03-18
Release date:2003-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanisms of activation of phosphoenolpyruvate carboxykinase from Escherichia coli by Ca2+ and of desensitization by trypsin.
J.BACTERIOL., 185, 2003
1B0C
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BU of 1b0c by Molmil
EVIDENCE OF A COMMON DECAMER IN THREE CRYSTAL STRUCTURES OF BPTI, CRYSTALLIZED FROM THIOCYANATE, CHLORIDE OR SULFATE
Descriptor: PROTEIN (PANCREATIC TRYPSIN INHIBITOR)
Authors:Hamiaux, C, Prange, T, Ries-Kautt, M, Ducruix, A, Lafont, S, Astier, J.P, Veesler, S.
Deposit date:1998-11-06
Release date:1998-11-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The BPTI decamer observed in acidic pH crystal forms pre-exists as a stable species in solution.
J.Mol.Biol., 297, 2000
1DLE
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BU of 1dle by Molmil
FACTOR B SERINE PROTEASE DOMAIN
Descriptor: COMPLEMENT FACTOR B
Authors:Jing, H, Xu, Y, Carson, M, Moore, D, Macon, K.J, Volanakis, J.E, Narayana, S.V.
Deposit date:1999-12-09
Release date:2000-12-13
Last modified:2019-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New structural motifs on the chymotrypsin fold and their potential roles in complement factor B.
EMBO J., 19, 2000
1EZS
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BU of 1ezs by Molmil
CRYSTAL STRUCTURE OF ECOTIN MUTANT M84R, W67A, G68A, Y69A, D70A BOUND TO RAT ANIONIC TRYPSIN II
Descriptor: CALCIUM ION, ECOTIN, TRYPSIN II, ...
Authors:Gillmor, S.A, Takeuchi, T, Yang, S.Q, Craik, C.S, Fletterick, R.J.
Deposit date:2000-05-11
Release date:2000-06-23
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Compromise and accommodation in ecotin, a dimeric macromolecular inhibitor of serine proteases.
J.Mol.Biol., 299, 2000
1EZU
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BU of 1ezu by Molmil
ECOTIN Y69F, D70P BOUND TO D102N TRYPSIN
Descriptor: CALCIUM ION, ECOTIN, TRYPSIN II, ...
Authors:Gillmor, S.A, Takeuchi, T, Yang, S.Q, Craik, C.S, Fletterick, R.J.
Deposit date:2000-05-11
Release date:2000-06-23
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Compromise and accommodation in ecotin, a dimeric macromolecular inhibitor of serine proteases.
J.Mol.Biol., 299, 2000
1RXP
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BU of 1rxp by Molmil
STRUCTURE OF TRYPSIN (ORTHORHOMBIC) WITH 1-(4-TERT-BUTYLCARBAMOYL- PIPERAZINE-1-CARBONYL)-3-(3-GUANIDINO-PROPYL)-4-OXO-AZETIDINE-2-CARBOXYLIC ACID
Descriptor: 1-(4-TERT-BUTYLCARBAMOYL-PIPERAZINE-1-CARBONYL)-3-(3-GUANIDINO-PROPYL)-4-OXO-AZETIDINE-2-CARBOXYLIC ACID, CALCIUM ION, SULFATE ION, ...
Authors:Bisacchi, G.S, Jacobson, B.
Deposit date:2003-12-18
Release date:2004-06-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Solid-phase synthesis and SAR of 4-carboxy-2-azetidinone mechanism-based tryptase inhibitors
Bioorg.Med.Chem.Lett., 14, 2004
1GJ5
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BU of 1gj5 by Molmil
SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN
Descriptor: 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ...
Authors:Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L.
Deposit date:2001-04-27
Release date:2002-04-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
1GJ4
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BU of 1gj4 by Molmil
SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN
Descriptor: 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ...
Authors:Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L.
Deposit date:2001-04-27
Release date:2002-04-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
1K9O
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BU of 1k9o by Molmil
CRYSTAL STRUCTURE OF MICHAELIS SERPIN-TRYPSIN COMPLEX
Descriptor: ALASERPIN, TRYPSIN II ANIONIC
Authors:Ye, S, Cech, A.L, Belmares, R, Bergstrom, R.C, Tong, Y, Corey, D.R, Kanost, M.R, Goldsmith, E.J.
Deposit date:2001-10-29
Release date:2001-11-21
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of a Michaelis serpin-protease complex.
Nat.Struct.Biol., 8, 2001
1BB0
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BU of 1bb0 by Molmil
THROMBIN INHIBITORS WITH RIGID TRIPEPTIDYL ALDEHYDES
Descriptor: 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3R)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, HIRUGEN, SODIUM ION, ...
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-04-28
Release date:1999-04-27
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
1CA8
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BU of 1ca8 by Molmil
Thrombin inhibitors with rigid tripeptidyl aldehydes
Descriptor: 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, HIRUGEN, SODIUM ION, ...
Authors:Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
Deposit date:1998-04-27
Release date:1999-04-27
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes
Biochemistry, 37, 1998
2IJO
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BU of 2ijo by Molmil
Crystal Structure of the West Nile virus NS2B-NS3 protease complexed with bovine pancreatic trypsin inhibitor
Descriptor: Pancreatic trypsin inhibitor, Polyprotein
Authors:Aleshin, A.E, Shiryaev, S.A, Strongin, A.Y, Liddington, R.C.
Deposit date:2006-09-29
Release date:2007-05-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural evidence for regulation and specificity of flaviviral proteases and evolution of the Flaviviridae fold.
Protein Sci., 16, 2007
1EKB
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BU of 1ekb by Molmil
THE SERINE PROTEASE DOMAIN OF ENTEROPEPTIDASE BOUND TO INHIBITOR VAL-ASP-ASP-ASP-ASP-LYS-CHLOROMETHANE
Descriptor: ENTEROPEPTIDASE, VAL-ASP-ASP-ASP-ASP-LYK PEPTIDE, ZINC ION
Authors:Fuetterer, K, Lu, D, Sadler, J.E, Waksman, G.
Deposit date:1999-05-02
Release date:1999-10-14
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of enteropeptidase light chain complexed with an analog of the trypsinogen activation peptide.
J.Mol.Biol., 292, 1999
1BTH
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BU of 1bth by Molmil
STRUCTURE OF THROMBIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR
Descriptor: BOVINE PANCREATIC TRYPSIN INHIBITOR, THROMBIN
Authors:Van De Locht, A, Bode, W, Stubbs, M.T.
Deposit date:1996-12-03
Release date:1997-12-24
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The thrombin E192Q-BPTI complex reveals gross structural rearrangements: implications for the interaction with antithrombin and thrombomodulin.
EMBO J., 16, 1997
1R8N
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BU of 1r8n by Molmil
The Crystal Structure of the Kunitz (STI) Type Inhibitor from Seeds of Delonix regia
Descriptor: Kunitz trypsin inhibitor
Authors:Krauchenco, S, Pando, S.C, Marangoni, S, Polikarpov, I.
Deposit date:2003-10-27
Release date:2004-05-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the Kunitz (STI)-type inhibitor from Delonix regia seeds.
Biochem.Biophys.Res.Commun., 312, 2003
1BZ5
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EVIDENCE OF A COMMON DECAMER IN THREE CRYSTAL STRUCTURES OF BPTI, CRYSTALLIZE FROM THIOCYANATE, CHLORIDE OR SULFATE
Descriptor: PANCREATIC TRYPSIN INHIBITOR, SULFATE ION
Authors:Hamiaux, C, Prange, T, Ries-Kautt, M, Ducruix, A, Lafont, S, Astier, J.P, Veesler, S.
Deposit date:1998-11-05
Release date:1998-11-11
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:The BPTI decamer observed in acidic pH crystal forms pre-exists as a stable species in solution.
J.Mol.Biol., 297, 2000
5OM6
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BU of 5om6 by Molmil
Crystal structure of Alpha1-antichymotrypsin variant DBS-I-allo2: a MMP9-cleavable drug-binding serpin for doxycycline
Descriptor: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin, CHLORIDE ION, ...
Authors:Schmidt, K, Muller, Y.A.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OM8
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Crystal form 2 of Alpha1-antichymotrypsin variant DBS-II-allo: an allosterically modulated drug-binding serpin for doxorubicin
Descriptor: 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin, CHLORIDE ION, ...
Authors:Schmidt, K, Muller, Y.A.
Deposit date:2017-07-28
Release date:2018-05-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design of an allosterically modulated doxycycline and doxorubicin drug-binding protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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