1Z0W
 
 | | Crystal Structure of A. fulgidus Lon proteolytic domain at 1.2A resolution | | Descriptor: | CALCIUM ION, Putative protease La homolog type | | Authors: | Botos, I, Melnikov, E.E, Cherry, S, Kozlov, S, Makhovskaya, O.V, Tropea, J.E, Gustchina, A, Rotanova, T.V, Wlodawer, A. | | Deposit date: | 2005-03-02 | | Release date: | 2005-08-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Atomic-resolution Crystal Structure of the Proteolytic Domain of Archaeoglobus fulgidus Lon Reveals the Conformational Variability in the Active Sites of Lon Proteases
J.Mol.Biol., 351, 2005
|
|
2ITG
 | | CATALYTIC DOMAIN OF HIV-1 INTEGRASE: ORDERED ACTIVE SITE IN THE F185H CONSTRUCT | | Descriptor: | HUMAN IMMUNODEFICIENCY VIRUS-1 INTEGRASE | | Authors: | Bujacz, G, Alexandratos, J, Wlodawer, A, Zhou-Liu, Q, Clement-Mella, C. | | Deposit date: | 1996-09-13 | | Release date: | 1997-03-12 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The catalytic domain of human immunodeficiency virus integrase: ordered active site in the F185H mutant.
FEBS Lett., 398, 1996
|
|
1Z0T
 | | Crystal Structure of A. fulgidus Lon proteolytic domain | | Descriptor: | Putative protease La homolog type | | Authors: | Dauter, Z, Botos, I, LaRonde-LeBlanc, N, Wlodawer, A. | | Deposit date: | 2005-03-02 | | Release date: | 2005-08-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Pathological crystallography: case studies of several unusual macromolecular crystals.
Acta Crystallogr.,Sect.D, 61, 2005
|
|
1ZPA
 | | HIV Protease with Scripps AB-3 Inhibitor | | Descriptor: | Pol polyprotein, TERT-BUTYL 4-[({[1-((1S,2R)-1-BENZYL-2-HYDROXY-3-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}PROPYL)-1H-1,2,3-TRIAZOL-4-YL]METHYL}AMINO)CARBONYL]BENZYLCARBAMATE | | Authors: | Brik, A, Alexandratos, J, Lin, Y.C, Elder, J.H, Olson, A.J, Wlodawer, A, Goodsell, D.S, Wong, C.H. | | Deposit date: | 2005-05-16 | | Release date: | 2005-05-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | 1,2,3-triazole as a peptide surrogate in the rapid synthesis of HIV-1 protease inhibitors
Chembiochem, 6, 2005
|
|
1Z0V
 | | Crystal Structure of A. fulgidus Lon proteolytic domain | | Descriptor: | Putative protease La homolog type | | Authors: | Dauter, Z, Botos, I, LaRonde-LeBlanc, N, Wlodawer, A. | | Deposit date: | 2005-03-02 | | Release date: | 2005-08-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Pathological crystallography: case studies of several unusual macromolecular crystals.
Acta Crystallogr.,Sect.D, 61, 2005
|
|
2CRK
 | | MUSCLE CREATINE KINASE | | Descriptor: | PROTEIN (CREATINE KINASE), SULFATE ION | | Authors: | Rao, J.K, Bujacz, G, Wlodawer, A. | | Deposit date: | 1998-09-28 | | Release date: | 1999-01-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of rabbit muscle creatine kinase.
FEBS Lett., 439, 1998
|
|
9ARQ
 | | Crystal structure of SARS-CoV-2 main protease (authentic protein) in complex with an inhibitor TKB-245 | | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | | Deposit date: | 2024-02-23 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors
To Be Published
|
|
9ARS
 | | Crystal structure of SARS-CoV-2 main protease E166V mutant in complex with an inhibitor TKB-245 | | Descriptor: | (1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Misumi, S, Tamamura, H, Mitsuya, H. | | Deposit date: | 2024-02-23 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors
To Be Published
|
|
9ART
 | | Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor 5h | | Descriptor: | 3C-like proteinase nsp5, N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide | | Authors: | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | | Deposit date: | 2024-02-23 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors
To Be Published
|
|
9AVQ
 | | Crystal structure of SARS-CoV-2 main protease A191T mutant in complex with an inhibitor Nirmatrelvir | | Descriptor: | (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER | | Authors: | Bulut, H, Hattori, S, Hayashi, H, Hasegawa, K, Li, M, Wlodawer, A, Tamamura, H, Mitsuya, H. | | Deposit date: | 2024-03-04 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structural and virologic mechanism of emergence of main protease inhibitor-resistance in SARS-CoV-2 as selected with main protease inhibitors
To Be Published
|
|
1GA1
 | | CRYSTAL STRUCTURE ANALYSIS OF PSCP (PSEUDOMONAS SERINE-CARBOXYL PROTEINASE) COMPLEXED WITH A FRAGMENT OF IODOTYROSTATIN (THIS ENZYME RENAMED "SEDOLISIN" IN 2003) | | Descriptor: | CALCIUM ION, CHLORIDE ION, FRAGMENT OF IODOTYROSTATIN, ... | | Authors: | Dauter, Z, Li, M, Wlodawer, A. | | Deposit date: | 2000-11-29 | | Release date: | 2000-12-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Practical experience with the use of halides for phasing macromolecular structures: a powerful tool for structural genomics.
Acta Crystallogr.,Sect.D, 57, 2001
|
|
2NR6
 | | Crystal structure of the complex of antibody and the allergen Bla g 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody heavy chain, ... | | Authors: | Li, M, Gustchina, A, Wlodawer, A, Pomes, A, Wunschmann, S. | | Deposit date: | 2006-11-01 | | Release date: | 2008-02-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Crystal structure of a dimerized cockroach allergen Bla g 2 complexed with a monoclonal antibody.
J.Biol.Chem., 283, 2008
|
|
1PV8
 | | Crystal structure of a low activity F12L mutant of human porphobilinogen synthase | | Descriptor: | 3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACID, Delta-aminolevulinic acid dehydratase, ZINC ION | | Authors: | Breinig, S, Kervinen, J, Stith, L, Wasson, A.S, Fairman, R, Wlodawer, A, Zdanov, A, Jaffe, E.K. | | Deposit date: | 2003-06-26 | | Release date: | 2003-09-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Control of tetrapyrrole biosynthesis by alternate quaternary forms of porphobilinogen synthase.
Nat.Struct.Biol., 10, 2003
|
|
5WCM
 | | Crystal structure of the complex between class B3 beta-lactamase BJP-1 and 4-nitrobenzene-sulfonamide - new refinement | | Descriptor: | 4-nitrobenzenesulfonamide, Blr6230 protein, ZINC ION | | Authors: | Docquier, J.D, Benvenuti, M, Calderone, V, Menciassi, N, Shabalin, I.G, Raczynska, J.E, Wlodawer, A, Jaskolski, M, Minor, W, Mangani, S. | | Deposit date: | 2017-06-30 | | Release date: | 2017-07-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | High-resolution crystal structure of the subclass B3 metallo-beta-lactamase BJP-1: rational basis for substrate specificity and interaction with sulfonamides.
Antimicrob. Agents Chemother., 54, 2010
|
|
3EMY
 | | Crystal structure of Trichoderma reesei aspartic proteinase complexed with pepstatin A | | Descriptor: | Pepstatin, Trichoderma reesei Aspartic protease | | Authors: | Nascimento, A.S, Krauchenco, S, Golubev, A.M, Gustchina, A, Wlodawer, A, Polikarpov, I. | | Deposit date: | 2008-09-25 | | Release date: | 2008-10-07 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Statistical coupling analysis of aspartic proteinases based on crystal
structures of the Trichoderma reesei enzyme and its complex with pepstatin A.
J.Mol.Biol., 382, 2008
|
|
1ODX
 | | HIV-1 Proteinase mutant A71T, V82A | | Descriptor: | HIV-1 PROTEASE, di-tert-butyl {iminobis[(2S,3S)-3-hydroxy-1-phenylbutane-4,2-diyl]}biscarbamate | | Authors: | Kervinen, J, Thanki, N, Zdanov, A, Wlodawer, A. | | Deposit date: | 1996-09-16 | | Release date: | 1997-04-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Analysis of the Native and Drug-Resistant HIV-1 Proteinases Complexed with an Aminodiol Inhibitor
Protein Pept.Lett., 3, 1996
|
|
2P3B
 | | Crystal Structure of the subtype B wild type HIV protease complexed with TL-3 inhibitor | | Descriptor: | benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, protease | | Authors: | Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I. | | Deposit date: | 2007-03-08 | | Release date: | 2007-04-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development.
J.Mol.Biol., 369, 2007
|
|
2P3C
 | | Crystal Structure of the subtype F wild type HIV protease complexed with TL-3 inhibitor | | Descriptor: | ACETIC ACID, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, protease | | Authors: | Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I. | | Deposit date: | 2007-03-08 | | Release date: | 2007-04-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development.
J.Mol.Biol., 369, 2007
|
|
1QDM
 | | CRYSTAL STRUCTURE OF PROPHYTEPSIN, A ZYMOGEN OF A BARLEY VACUOLAR ASPARTIC PROTEINASE. | | Descriptor: | PROPHYTEPSIN | | Authors: | Kervinen, J, Tobin, G.J, Costa, J, Waugh, D.S, Wlodawer, A, Zdanov, A. | | Deposit date: | 1999-05-19 | | Release date: | 1999-07-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of plant aspartic proteinase prophytepsin: inactivation and vacuolar targeting.
EMBO J., 18, 1999
|
|
2P3D
 | | Crystal Structure of the multi-drug resistant mutant subtype F HIV protease complexed with TL-3 inhibitor | | Descriptor: | Pol protein, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | Authors: | Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I. | | Deposit date: | 2007-03-08 | | Release date: | 2007-04-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development.
J.Mol.Biol., 369, 2007
|
|
3LIZ
 | | crystal structure of bla g 2 complexed with Fab 4C3 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4C3 monoclonal antibody Heavy Chain, ... | | Authors: | Li, M, Gustchina, A, Glesner, J, Wunschmann, S, Pomes, A, Wlodawer, A. | | Deposit date: | 2010-01-25 | | Release date: | 2010-12-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanisms of allergen-antibody interaction of cockroach allergen Bla g 2 with monoclonal antibodies that inhibit IgE antibody binding.
Plos One, 6, 2011
|
|
1QZM
 | | alpha-domain of ATPase | | Descriptor: | ATP-dependent protease La | | Authors: | Botos, I, Melnikov, E.E, Cherry, S, Khalatova, A.G, Rasulova, F.S, Tropea, J.E, Maurizi, M.R, Rotanova, T.V, Gustchina, A, Wlodawer, A. | | Deposit date: | 2003-09-17 | | Release date: | 2004-05-04 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the AAA+ alpha domain of E. coli Lon protease at 1.9A resolution.
J.Struct.Biol., 146
|
|
2P3A
 | | Crystal Structure of the multi-drug resistant mutant subtype B HIV protease complexed with TL-3 inhibitor | | Descriptor: | benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, protease | | Authors: | Sanches, M, Krauchenco, S, Martins, N.H, Gustchina, A, Wlodawer, A, Polikarpov, I. | | Deposit date: | 2007-03-08 | | Release date: | 2007-04-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Characterization of B and non-B Subtypes of HIV-Protease: Insights into the Natural Susceptibility to Drug Resistance Development.
J.Mol.Biol., 369, 2007
|
|
6V25
 | |
6V24
 | |
