2A4R
 
 | | HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound. | | Descriptor: | NS3 protease/helicase, Ns4a peptide, ZINC ION, ... | | Authors: | Bogen, S, Saksena, A.K, Arasappan, A, Gu, H, Njoroge, F.G, Girijavallabhan, V, Pichardo, J, Butkiewicz, N, Prongay, A, Madison, V. | | Deposit date: | 2005-06-29 | | Release date: | 2006-07-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Hepatitis C Virus NS3-4A serine protease inhibitors: Use of a P2-P1 cyclopropyl alanine combination for improved potency.
Bioorg.Med.Chem.Lett., 15, 2005
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2A4Q
 | | HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound. | | Descriptor: | (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID, BETA-MERCAPTOETHANOL, NS3 protease/helicase', ... | | Authors: | Chen, K.X, Njoroge, F.G, Prongay, A, Pichardo, J, Madison, V, Girijavallabhan, V. | | Deposit date: | 2005-06-29 | | Release date: | 2006-07-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease
Bioorg.Med.Chem.Lett., 15, 2005
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1QFK
 | | STRUCTURE OF HUMAN FACTOR VIIA AND ITS IMPLICATIONS FOR THE TRIGGERING OF BLOOD COAGULATION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COAGULATION FACTOR VIIA HEAVY CHAIN, ... | | Authors: | Pike, A.C.W, Brzozowski, A.M, Roberts, S.M, Olsen, O.H, Persson, E. | | Deposit date: | 1999-04-12 | | Release date: | 1999-08-01 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of human factor VIIa and its implications for the triggering of blood coagulation.
Proc.Natl.Acad.Sci.USA, 96, 1999
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1EJN
 | | UROKINASE PLASMINOGEN ACTIVATOR B-CHAIN INHIBITOR COMPLEX | | Descriptor: | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | | Authors: | Sperl, S, Jacob, U, Arroyo de Prada, N, Stuerzebecher, J, Wilhelm, O.G, Bode, W, Magdolen, V, Huber, R, Moroder, L. | | Deposit date: | 2000-04-22 | | Release date: | 2000-05-17 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | (4-aminomethyl)phenylguanidine derivatives as nonpeptidic highly selective inhibitors of human urokinase.
Proc.Natl.Acad.Sci.USA, 97, 2000
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1SB1
 | | Novel Non-Covalent Thrombin Inhibitors Incorporating P1 4,5,6,7-Tetrahydrobenzothiazole Arginine Side Chain Mimetics | | Descriptor: | N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE, Prothrombin, SODIUM ION, ... | | Authors: | Marinko, P, Krbavcic, A, Mlinsek, G, Solmajer, T, Trampus-Bakija, A, Stegnar, M, Stojan, J, Kikelj, D. | | Deposit date: | 2004-02-09 | | Release date: | 2004-06-08 | | Last modified: | 2011-11-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Novel non-covalent thrombin inhibitors incorporating P(1) 4,5,6,7-tetrahydrobenzothiazole arginine side chain mimetics
Eur.J.Med.Chem., 39, 2004
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1PFX
 | | PORCINE FACTOR IXA | | Descriptor: | D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, FACTOR IXA | | Authors: | Brandstetter, H, Bauer, M, Huber, R, Lollar, P, Bode, W. | | Deposit date: | 1995-07-19 | | Release date: | 1996-08-17 | | Last modified: | 2013-02-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | X-ray structure of clotting factor IXa: active site and module structure related to Xase activity and hemophilia B.
Proc.Natl.Acad.Sci.USA, 92, 1995
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1TON
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4ARX
 | | Lepidoptera-specific toxin Cry1Ac from Bacillus thuringiensis ssp. kurstaki HD-73 | | Descriptor: | 1,3-DIAMINOPROPANE, GLYCEROL, PESTICIDAL CRYSTAL PROTEIN CRY1AC | | Authors: | Derbyshire, D.J, Carroll, J, Ellar, D.J, Li, J. | | Deposit date: | 2012-04-27 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structural Basis of Galnac-Dependent Receptor Recognition by B. Thuringiensis Toxin Cry1Ac
To be Published
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1JBU
 | | Coagulation Factor VII Zymogen (EGF2/Protease) in Complex with Inhibitory Exosite Peptide A-183 | | Descriptor: | BENZAMIDINE, COAGULATION FACTOR VII, Peptide exosite inhibitor A-183, ... | | Authors: | Eigenbrot, C, Kirchhofer, D, Dennis, M.S, Santell, L, Lazarus, R.A, Stamos, J, Ultsch, M.H. | | Deposit date: | 2001-06-06 | | Release date: | 2001-07-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The factor VII zymogen structure reveals reregistration of beta strands during activation.
Structure, 9, 2001
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4ARY
 | | Lepidopteran-specific toxin Cry1Ac in complex with receptor specificity determinant GalNAc | | Descriptor: | 1,3-DIAMINOPROPANE, 2-acetamido-2-deoxy-beta-D-galactopyranose, PESTICIDAL CRYSTAL PROTEIN CRY1AC | | Authors: | Derbyshire, D.J, Carroll, J, Ellar, D.J, Li, J. | | Deposit date: | 2012-04-27 | | Release date: | 2013-05-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural Basis of Galnac-Dependent Receptor Recognition by B. Thuringiensis Toxin Cry1Ac
To be Published
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1HYL
 | | THE 1.8 A STRUCTURE OF COLLAGENASE FROM HYPODERMA LINEATUM | | Descriptor: | HYPODERMA LINEATUM COLLAGENASE | | Authors: | Broutin, I, Arnoux, B, Riche, C, Lecroisey, A, Keil, B, Pascard, C, Ducruix, A. | | Deposit date: | 1995-05-02 | | Release date: | 1995-07-31 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | 1.8 A structure of Hypoderma lineatum collagenase: a member of the serine proteinase family.
Acta Crystallogr.,Sect.D, 52, 1996
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3OFW
 | | Crystal structure of recombinant Kunitz Type serine protease Inhibitor-1 from the Carribean sea anemone stichodactyla helianthus | | Descriptor: | CHLORIDE ION, Kunitz-type proteinase inhibitor SHPI-1 | | Authors: | Garcia-Fernandez, R, Redecke, L, Pons, T, Perbandt, M, Talavera, A, Gil, D, Gonzalez, Y, de los Angeles Chavez, M, Betzel, C. | | Deposit date: | 2010-08-16 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the recombinant BPTI/Kunitz-type inhibitor rShPI-1A from the marine invertebrate Stichodactyla helianthus.
Acta Crystallogr.,Sect.F, 68, 2012
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1IFG
 | | CRYSTAL STRUCTURE OF A MONOMERIC FORM OF GENERAL PROTEASE INHIBITOR, ECOTIN IN ABSENCE OF A PROTEASE | | Descriptor: | ECOTIN | | Authors: | Eggers, C.T, Wang, S.X, Fletterick, R.J, Craik, C.S. | | Deposit date: | 2001-04-12 | | Release date: | 2001-05-18 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The role of ecotin dimerization in protease inhibition.
J.Mol.Biol., 308, 2001
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1DIC
 | | STRUCTURE OF 3,4-DICHLOROISOCOUMARIN-INHIBITED FACTOR D | | Descriptor: | 3,4-DICHLOROISOCOUMARIN, FACTOR D, OXYGEN ATOM | | Authors: | Cole, L.B, Kilpatrick, J.M, Chu, N, Babu, Y.S. | | Deposit date: | 1998-07-08 | | Release date: | 1999-07-22 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of 3,4-dichloroisocoumarin-inhibited factor D.
Acta Crystallogr.,Sect.D, 54, 1998
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3H71
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1DFP
 | | FACTOR D INHIBITED BY DIISOPROPYL FLUOROPHOSPHATE | | Descriptor: | DIISOPROPYL PHOSPHONATE, FACTOR D | | Authors: | Cole, L.B, Chu, N, Kilpatrick, J.M, Volanakis, J.E, Narayana, S.V.L, Babu, Y.S. | | Deposit date: | 1997-02-18 | | Release date: | 1998-02-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of diisopropyl fluorophosphate-inhibited factor D.
Acta Crystallogr.,Sect.D, 53, 1997
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1TMB
 | | MOLECULAR BASIS FOR THE INHIBITION OF HUMAN ALPHA-THROMBIN BY THE MACROCYCLIC PEPTIDE CYCLOTHEONAMIDE A | | Descriptor: | ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ... | | Authors: | Qiu, X, Padmanabhan, K.P, Maryanoff, B.E, Tulinsky, A. | | Deposit date: | 1993-05-27 | | Release date: | 1994-01-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis for the inhibition of human alpha-thrombin by the macrocyclic peptide cyclotheonamide A.
Proc.Natl.Acad.Sci.USA, 90, 1993
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1FON
 | | CRYSTAL STRUCTURE OF BOVINE PROCARBOXYPEPTIDASE A-S6 SUBUNIT III, A HIGHLY STRUCTURED TRUNCATED ZYMOGEN E | | Descriptor: | PROCARBOXYPEPTIDASE A-S6 | | Authors: | Pignol, D.C, Gaboriaud, T, Michon, B, Kerfelec, B, Chapus, C, Fontecilla-Camps, J.C. | | Deposit date: | 1996-02-01 | | Release date: | 1996-10-14 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of bovine procarboxypeptidase A-S6 subunit III, a highly structured truncated zymogen E.
EMBO J., 13, 1994
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1TOC
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1HCG
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1HFD
 | | HUMAN COMPLEMENT FACTOR D IN A P21 CRYSTAL FORM | | Descriptor: | COMPLEMENT FACTOR D | | Authors: | Jing, H, Babu, Y.S, Moore, D, Kilpatrick, J.M, Liu, X.-Y, Volanakis, J.E, Narayana, S.V.L. | | Deposit date: | 1998-06-18 | | Release date: | 1999-06-22 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of native and complexed complement factor D: implications of the atypical His57 conformation and self-inhibitory loop in the regulation of specific serine protease activity.
J.Mol.Biol., 282, 1998
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1G37
 | | CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH BCH-10556 AND EXOSITE-DIRECTED PEPTIDE | | Descriptor: | 3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-3-[(4-OXO-2-PHENYLMETHANESULFONYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER, ALPHA THROMBIN, THROMBIN NONAPEPTIDE INHIBITOR | | Authors: | Bachand, B, Tarazi, M, St-Denis, Y, Edmunds, J.J, Winocour, P.D, Leblond, L, Siddiqui, M.A. | | Deposit date: | 2000-10-23 | | Release date: | 2001-04-21 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and selective bicyclic lactam inhibitors of thrombin. Part 4: transition state inhibitors.
Bioorg.Med.Chem.Lett., 11, 2001
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1FDP
 | | PROENZYME OF HUMAN COMPLEMENT FACTOR D, RECOMBINANT PROFACTOR D | | Descriptor: | PROENZYME OF COMPLEMENT FACTOR D | | Authors: | Jing, H, Macon, K.J, Moore, D, Delucas, L.J, Volanakis, J.E, Narayana, S.V.L. | | Deposit date: | 1998-12-03 | | Release date: | 1999-12-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of profactor D activation: from a highly flexible zymogen to a novel self-inhibited serine protease, complement factor D.
Embo J., 18, 1999
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3AUC
 | | A simplified BPTI variant with poly SER (C5S) amino acid tag at the c-terminus | | Descriptor: | Bovine pancreatic trypsin inhibitor, SULFATE ION | | Authors: | Islam, M.M, Kato, A, Khan, M.M.A, Noguchi, K, Yohda, M, Kidokoro, S.I, Kuroda, Y. | | Deposit date: | 2011-02-03 | | Release date: | 2012-02-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Effect of amino acid mutations on protein's solubility, function and structure characterized using short poly amino acid peptide tags
To be Published
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3AUH
 | | A simplified BPTI variant with poly Arg amino acid tag (C3R) at the C-terminus | | Descriptor: | Bovine pancreatic trypsin inhibitor, SULFATE ION | | Authors: | Islam, M.M, Kato, A, Khan, M.M.A, Noguchi, K, Yohda, M, Kidokoro, S.I, Kuroda, Y. | | Deposit date: | 2011-02-03 | | Release date: | 2012-02-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Effect of amino acid mutations on protein's solubility, function and structure characterized using short poly amino acid peptide tags
To be Published
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