5OM5
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5OM2
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![BU of 5om2 by Molmil](/molmil-images/mine/5om2) | Crystal structure of Alpha1-antichymotrypsin variant DBS-I1: a drug-binding serpin for doxycycline | Descriptor: | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin | 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 (1.47 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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5OM3
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![BU of 5om3 by Molmil](/molmil-images/mine/5om3) | Crystal structure of Alpha1-antichymotrypsin variant DBS-I5: a MMP14-cleavable drug-binding serpin for doxycycline | Descriptor: | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, Alpha-1-antichymotrypsin, DI(HYDROXYETHYL)ETHER | 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 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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6FTP
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1AV7
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![BU of 1av7 by Molmil](/molmil-images/mine/1av7) | SUBTILISIN CARLSBERG L-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | Descriptor: | SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | Deposit date: | 1997-09-29 | Release date: | 1998-04-01 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2.6 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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1AVT
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![BU of 1avt by Molmil](/molmil-images/mine/1avt) | SUBTILISIN CARLSBERG D-PARA-CHLOROPHENYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | Descriptor: | SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | Deposit date: | 1997-09-19 | Release date: | 1998-03-25 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (2 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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6GXX
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![BU of 6gxx by Molmil](/molmil-images/mine/6gxx) | Fab fragment of an antibody selective for alpha-1-antitrypsin in the native conformation | Descriptor: | FAB 1D9 heavy chain, FAB 1D9 light chain, MAGNESIUM ION | Authors: | Elliston, E.L.K, Miranda, E, Perez, J, Lomas, D.A, Irving, J.A. | Deposit date: | 2018-06-27 | Release date: | 2019-07-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Characterisation of a monoclonal antibody conformationally-selective for native alpha-1-antitrypsin To Be Published
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6HGN
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6HGF
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![BU of 6hgf by Molmil](/molmil-images/mine/6hgf) | Crystal structure of Alpha1-antichymotrypsin variant NewBG-II: a new binding globulin in complex with cortisol | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin | Authors: | Schmidt, K, Muller, Y.A. | Deposit date: | 2018-08-23 | Release date: | 2019-05-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.651 Å) | Cite: | NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy. J.Struct.Biol., 207, 2019
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6HGK
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6HGJ
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6HGG
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![BU of 6hgg by Molmil](/molmil-images/mine/6hgg) | Crystal structure of Alpha1-antichymotrypsin variant NewBG-III: a new binding globulin in complex with cortisol | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 1,2-ETHANEDIOL, Alpha-1-antichymotrypsin | Authors: | Schmidt, K, Muller, Y.A. | Deposit date: | 2018-08-23 | Release date: | 2019-05-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.787 Å) | Cite: | NewBG: A surrogate corticosteroid-binding globulin with an unprecedentedly high ligand release efficacy. J.Struct.Biol., 207, 2019
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6HGM
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8OKB
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![BU of 8okb by Molmil](/molmil-images/mine/8okb) | SARS-CoV2 NSP5 in complex with a peptidomimetic ligand | Descriptor: | 3C-like proteinase nsp5, methyl (4~{S})-4-[[(2~{S})-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]pentanoate | Authors: | Calderone, V. | Deposit date: | 2023-03-28 | Release date: | 2024-01-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Development of a GC-376 Based Peptidomimetic PROTAC as a Degrader of 3-Chymotrypsin-like Protease of SARS-CoV-2. Acs Med.Chem.Lett., 15, 2024
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8OKC
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![BU of 8okc by Molmil](/molmil-images/mine/8okc) | SARS-CoV2 NSP5 in complex with a GC-376 based peptidomimetic PROTAC | Descriptor: | (phenylmethyl) ~{N}-[(2~{R})-1-[[(~{Z},2~{S})-5-[4-[[1-[2-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]-6-fluoranyl-1,3-bis(oxidanylidene)isoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]-5-oxidanylidene-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]pent-3-en-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, 3C-like proteinase nsp5 | Authors: | Calderone, V. | Deposit date: | 2023-03-28 | Release date: | 2024-01-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Development of a GC-376 Based Peptidomimetic PROTAC as a Degrader of 3-Chymotrypsin-like Protease of SARS-CoV-2. Acs Med.Chem.Lett., 15, 2024
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3FAN
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![BU of 3fan by Molmil](/molmil-images/mine/3fan) | Crystal structure of chymotrypsin-like protease/proteinase (3CLSP/Nsp4) of porcine reproductive and respiratory syndrome virus (PRRSV) | Descriptor: | Non-structural protein, PHOSPHATE ION | Authors: | Gao, F, Peng, H, Tian, X, Lu, G, Liu, Y, Gao, G.F. | Deposit date: | 2008-11-17 | Release date: | 2009-09-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure and cleavage specificity of the chymotrypsin-like serine protease (3CLSP/nsp4) of Porcine Reproductive and Respiratory Syndrome Virus (PRRSV). J.Mol.Biol., 392, 2009
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3VSB
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![BU of 3vsb by Molmil](/molmil-images/mine/3vsb) | SUBTILISIN CARLSBERG D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | Descriptor: | SODIUM ION, SUBTILISIN CARLSBERG, TYPE VIII | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | Deposit date: | 1997-09-25 | Release date: | 1998-03-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 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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3H09
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![BU of 3h09 by Molmil](/molmil-images/mine/3h09) | The structure of Haemophilus influenzae IgA1 protease | Descriptor: | ACETATE ION, Immunoglobulin A1 protease, MALONIC ACID, ... | Authors: | Johnson, T.A, Qiu, J, Plaut, A.G, Holyoak, T. | Deposit date: | 2009-04-08 | Release date: | 2009-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Active-Site Gating Regulates Substrate Selectivity in a Chymotrypsin-Like Serine Protease The Structure of Haemophilus influenzae Immunoglobulin A1 Protease. J.Mol.Biol., 389, 2009
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1VSB
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![BU of 1vsb by Molmil](/molmil-images/mine/1vsb) | SUBTILISIN CARLSBERG L-PARA-CHLOROPHENYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX | Descriptor: | SUBTILISIN CARLSBERG, TYPE VIII | Authors: | Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F. | Deposit date: | 1997-09-17 | Release date: | 1998-03-18 | 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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2SNI
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2ALV
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![BU of 2alv by Molmil](/molmil-images/mine/2alv) | X-ray structural analysis of SARS coronavirus 3CL proteinase in complex with designed anti-viral inhibitors | Descriptor: | N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE, Replicase polyprotein 1ab | Authors: | Ghosh, A.K, Xi, K, Ratia, K, Santarsiero, B.D, Fu, W, Harcourt, B.H, Rota, P.A, Baker, S.C, Johnson, M.E, Mesecar, A.D. | Deposit date: | 2005-08-08 | Release date: | 2006-08-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors. J.Med.Chem., 48, 2005
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1CQ4
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![BU of 1cq4 by Molmil](/molmil-images/mine/1cq4) | CI2 MUTANT WITH TETRAGLUTAMINE (MGQQQQGM) REPLACING MET59 | Descriptor: | PROTEIN (SERINE PROTEINASE INHIBITOR 2), SULFATE ION | Authors: | Chen, Y.W, Stott, K.R. | Deposit date: | 1998-11-17 | Release date: | 1998-11-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of a dimeric chymotrypsin inhibitor 2 mutant containing an inserted glutamine repeat. Proc.Natl.Acad.Sci.USA, 96, 1999
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3M35
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3UOU
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![BU of 3uou by Molmil](/molmil-images/mine/3uou) | Crystal structure of the Kunitz-type protease inhibitor ShPI-1 Lys13Leu mutant in complex with pancreatic elastase | Descriptor: | Chymotrypsin-like elastase family member 1, GLYCEROL, Kunitz-type proteinase inhibitor SHPI-1, ... | Authors: | Garcia-Fernandez, R, Perbandt, M, Rehders, D, Gonzalez-Gonzalez, Y, Chavez, M.A, Betzel, C, Redecke, L. | Deposit date: | 2011-11-17 | Release date: | 2012-11-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Three-dimensional Structure of a Kunitz-type Inhibitor in Complex with an Elastase-like Enzyme. J.Biol.Chem., 290, 2015
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6DWR
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![BU of 6dwr by Molmil](/molmil-images/mine/6dwr) | Trypsin serine protease modified with the protease inhibitor cyanobenzylsulfonylfluoride | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | Authors: | Luo, M, Eaton, C.N, Phillips-Piro, C.M. | Deposit date: | 2018-06-27 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.319 Å) | Cite: | Paired Spectroscopic and Crystallographic Studies of Protease Active Sites Chemistryselect, 4, 2019
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