2R5P
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![BU of 2r5p by Molmil](/molmil-images/mine/2r5p) | Crystal Structure Analysis of HIV-1 Subtype C Protease Complexed with Indinavir | Descriptor: | CHLORIDE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, Protease, ... | Authors: | Coman, R.M, Robbins, A.H, McKenna, R, Dunn, B.M. | Deposit date: | 2007-09-04 | Release date: | 2007-11-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Contribution of Naturally Occurring Polymorphisms in Altering the Biochemical and Structural Characteristics of HIV-1 Subtype C Protease Biochemistry, 47, 2008
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2R5Q
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![BU of 2r5q by Molmil](/molmil-images/mine/2r5q) | Crystal Structure Analysis of HIV-1 Subtype C Protease Complexed with Nelfinavir | Descriptor: | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, Protease | Authors: | Coman, R.M, Robbins, A.H, McKenna, R, Dunn, B.M. | Deposit date: | 2007-09-04 | Release date: | 2007-11-20 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Contribution of Naturally Occurring Polymorphisms in Altering the Biochemical and Structural Characteristics of HIV-1 Subtype C Protease Biochemistry, 47, 2008
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2R8N
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![BU of 2r8n by Molmil](/molmil-images/mine/2r8n) | Structural Analysis of the Unbound Form of HIV-1 Subtype C Protease | Descriptor: | GLYCEROL, Pol protein | Authors: | Coman, R.M, Robbins, A.H, McKenna, R, Dunn, B.M. | Deposit date: | 2007-09-11 | Release date: | 2008-07-29 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | High-resolution structure of unbound human immunodeficiency virus 1 subtype C protease: implications of flap dynamics and drug resistance. Acta Crystallogr.,Sect.D, 64, 2008
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2R9B
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![BU of 2r9b by Molmil](/molmil-images/mine/2r9b) | Structural Analysis of Plasmepsin 2 from Plasmodium falciparum complexed with a peptide-based inhibitor | Descriptor: | Plasmepsin-2, peptide-based inhibitor | Authors: | Liu, P, Marzahn, M.R, Robbins, A.H, McKenna, R, Dunn, B.M. | Deposit date: | 2007-09-12 | Release date: | 2007-11-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Recombinant plasmepsin 1 from the human malaria parasite plasmodium falciparum: enzymatic characterization, active site inhibitor design, and structural analysis. Biochemistry, 48, 2009
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5BKM
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![BU of 5bkm by Molmil](/molmil-images/mine/5bkm) | Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine) | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2021-03-20 | Release date: | 2022-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Crystal Structure of Hip1 (Rv2224c) mutant - S228DHA (dehydroalanine) To Be Published
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5UGQ
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![BU of 5ugq by Molmil](/molmil-images/mine/5ugq) | Crystal Structure of Hip1 (Rv2224c) | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2017-01-09 | Release date: | 2017-04-12 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.609 Å) | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c). Biochemistry, 56, 2017
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5UNO
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![BU of 5uno by Molmil](/molmil-images/mine/5uno) | Crystal Structure of Hip1 (Rv2224c) | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2017-01-31 | Release date: | 2017-04-12 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c). Biochemistry, 56, 2017
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5UOH
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![BU of 5uoh by Molmil](/molmil-images/mine/5uoh) | Crystal Structure of Hip1 (Rv2224c) T466A mutant | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, White, A, Goldfarb, N, Milne, A.C, Liu, D, Baikovitz, J, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2017-01-31 | Release date: | 2017-04-12 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (2.609 Å) | Cite: | Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c). Biochemistry, 56, 2017
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2A8I
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![BU of 2a8i by Molmil](/molmil-images/mine/2a8i) | Crystal Structure of human Taspase1 | Descriptor: | Threonine aspartase 1 | Authors: | Khan, J.A, Dunn, B.M, Tong, L. | Deposit date: | 2005-07-08 | Release date: | 2005-11-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Human Taspase1, a Crucial Protease Regulating the Function of MLL. Structure, 13, 2005
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2A8J
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![BU of 2a8j by Molmil](/molmil-images/mine/2a8j) | |
2A8M
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![BU of 2a8m by Molmil](/molmil-images/mine/2a8m) | |
2A8L
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![BU of 2a8l by Molmil](/molmil-images/mine/2a8l) | |
2ANL
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![BU of 2anl by Molmil](/molmil-images/mine/2anl) | X-ray crystal structure of the aspartic protease plasmepsin 4 from the malarial parasite plasmodium malariae bound to an allophenylnorstatine based inhibitor | Descriptor: | (4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide, plasmepsin IV | Authors: | Clemente, J.C, Govindasamy, L, Madabushi, A, Fisher, S.Z, Moose, R.E, Yowell, C.A, Hidaka, K, Kimura, T, Hayashi, Y, Kiso, Y, Agbandje-McKenna, M, Dame, J.B, Dunn, B.M, McKenna, R. | Deposit date: | 2005-08-11 | Release date: | 2006-04-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure of the aspartic protease plasmepsin 4 from the malarial parasite Plasmodium malariae bound to an allophenylnorstatine-based inhibitor. Acta Crystallogr.,Sect.D, 62, 2006
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7M7C
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![BU of 7m7c by Molmil](/molmil-images/mine/7m7c) | Crystal Structure of Hip1 (Rv2224c) mutant - T466A/S228DHA (dehydroalanine) | Descriptor: | Carboxylesterase A | Authors: | Naffin-Olivos, J.L, Daab, A, Goldfarb, N.E, Doran, M.H, Baikovitz, J, Liu, D, Sun, S, White, A, Dunn, B.M, Rengarajan, J, Petsko, G.A, Ringe, D. | Deposit date: | 2021-03-27 | Release date: | 2022-03-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibitors and Inactivators of Mycobacterium tuberculosis serine protease Hip1 (Rv2224c) To Be Published
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1SGU
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![BU of 1sgu by Molmil](/molmil-images/mine/1sgu) | Comparing the Accumulation of Active Site and Non-active Site Mutations in the HIV-1 Protease | Descriptor: | N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, POL polyprotein | Authors: | Clemente, J.C, Moose, R.E, Hemrajani, R, Govindasamy, L, Reutzel, R, Mckenna, R, Abandje-McKenna, M, Goodenow, M.M, Dunn, B.M. | Deposit date: | 2004-02-24 | Release date: | 2004-10-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Comparing the Accumulation of Active- and Nonactive-Site Mutations in the HIV-1 Protease. Biochemistry, 43, 2004
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1G0V
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![BU of 1g0v by Molmil](/molmil-images/mine/1g0v) | THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT, MVV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEASE A INHIBITOR 3, PROTEINASE A, ... | Authors: | Phylip, L.H, Lees, W, Brownsey, B.G, Bur, D, Dunn, B.M, Winther, J, Gustchina, A, Li, M, Copeland, T, Wlodawer, A, Kay, J. | Deposit date: | 2000-10-09 | Release date: | 2001-04-21 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The potency and specificity of the interaction between the IA3 inhibitor and its target aspartic proteinase from Saccharomyces cerevisiae. J.Biol.Chem., 276, 2001
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1SH9
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![BU of 1sh9 by Molmil](/molmil-images/mine/1sh9) | Comparing the Accumulation of Active Site and Non-active Site Mutations in the HIV-1 Protease | Descriptor: | POL polyprotein, RITONAVIR | Authors: | Clemente, J.C, Moose, R.E, Hemrajani, R, Govindasamy, L, Reutzel, R, McKenna, R, Abanje-McKenna, M, Goodenow, M.M, Dunn, B.M. | Deposit date: | 2004-02-25 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Comparing the Accumulation of Active- and Nonactive-Site Mutations in the HIV-1 Protease. Biochemistry, 43, 2004
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6M8Y
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![BU of 6m8y by Molmil](/molmil-images/mine/6m8y) | PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR AIPF | Descriptor: | AIPF PEPTIDE INHIBITOR, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K. | Deposit date: | 2018-08-22 | Release date: | 2018-10-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase Biochemistry, 40, 2001
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6M8W
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![BU of 6m8w by Molmil](/molmil-images/mine/6m8w) | PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR AIAF | Descriptor: | AIAF PEPTIDE INHIBITOR, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K. | Deposit date: | 2018-08-22 | Release date: | 2018-10-24 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase Biochemistry, 40, 2001
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6M9D
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![BU of 6m9d by Molmil](/molmil-images/mine/6m9d) | PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR Chymostatin | Descriptor: | CALCIUM ION, Chymostatin A, SEDOLISIN | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K. | Deposit date: | 2018-08-23 | Release date: | 2018-10-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase Biochemistry, 40, 2001
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6M9C
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![BU of 6m9c by Molmil](/molmil-images/mine/6m9c) | PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR Pseudotyrostatin | Descriptor: | ACETIC ACID, CALCIUM ION, Pseudotyrostatin, ... | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K. | Deposit date: | 2018-08-23 | Release date: | 2018-10-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase Biochemistry, 40, 2001
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6M9F
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![BU of 6m9f by Molmil](/molmil-images/mine/6m9f) | PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR Tyrostatin | Descriptor: | CALCIUM ION, SEDOLISIN, SULFATE ION, ... | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K. | Deposit date: | 2018-08-23 | Release date: | 2018-10-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase Biochemistry, 40, 2001
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1DPJ
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![BU of 1dpj by Molmil](/molmil-images/mine/1dpj) | THE STRUCTURE OF PROTEINASE A COMPLEXED WITH IA3 PEPTIDE INHIBITOR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEINASE A, PROTEINASE INHIBITOR IA3 PEPTIDE, ... | Authors: | Li, M, Phylip, H.L, Lees, W.E, Winther, J.R, Dunn, B.M, Wlodawer, A, Kay, J, Guschina, A. | Deposit date: | 1999-12-27 | Release date: | 2000-05-03 | Last modified: | 2021-07-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The aspartic proteinase from Saccharomyces cerevisiae folds its own inhibitor into a helix. Nat.Struct.Biol., 7, 2000
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1DP5
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![BU of 1dp5 by Molmil](/molmil-images/mine/1dp5) | THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT INHIBITOR | Descriptor: | PROTEINASE A, PROTEINASE INHIBITOR IA3, beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Li, M, Phylip, H.L, Lees, W.E, Winther, J.R, Dunn, B.M, Wlodawer, A, Kay, J, Guschina, A. | Deposit date: | 1999-12-23 | Release date: | 2000-05-03 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The aspartic proteinase from Saccharomyces cerevisiae folds its own inhibitor into a helix. Nat.Struct.Biol., 7, 2000
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1NLU
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![BU of 1nlu by Molmil](/molmil-images/mine/1nlu) | Pseudomonas sedolisin (serine-carboxyl proteinase) complexed with two molecules of pseudo-iodotyrostatin | Descriptor: | CALCIUM ION, PSEUDO-IODOTYROSTATIN, SEDOLISIN | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Glodfarb, N.E, Dunn, B.M, Oda, K. | Deposit date: | 2003-01-07 | Release date: | 2004-01-20 | Last modified: | 2012-12-12 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Two inhibitor molecules bound in the active site of Pseudomonas sedolisin: a model for the bi-product complex following cleavage of a peptide substrate. Biochem.Biophys.Res.Commun., 314, 2004
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