Author results

1G0V
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THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT, MVV
Descriptor:PROTEINASE A, PROTEASE A INHIBITOR 3, BETA-D-MANNOSE, ...
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:2011-07-13
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
1DP5
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THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT INHIBITOR
Descriptor:PROTEINASE A, PROTEINASE INHIBITOR IA3, BETA-D-MANNOSE, ...
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:2011-07-13
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
1DPJ
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THE STRUCTURE OF PROTEINASE A COMPLEXED WITH IA3 PEPTIDE INHIBITOR
Descriptor:PROTEINASE A, PROTEINASE INHIBITOR IA3 PEPTIDE, BETA-D-MANNOSE, ...
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:2011-07-13
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
1GT9
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HIGH RESOLUTION CRYSTAL STRUCTURE OF A THERMOSTABLE SERINE-CARBOXYL TYPE PROTEINASE, KUMAMOLISIN (KSCP)
Descriptor:KUMAMOLYSIN, CALCIUM ION, SULFATE ION
Authors:Comellas-Bigler, M., Fuentes-Prior, P., Maskos, K., Huber, R., Oyama, H., Uchida, K., Dunn, B.M., Oda, K., Bode, W.
Deposit date:2002-01-14
Release date:2002-06-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:The 1.4 A Crystal Structure of Kumamolysin. A Thermostable Serine-Carboxyl-Type Proteinase
Structure, 10, 2002
1GTG
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CRYSTAL STRUCTURE OF THE THERMOSTABLE SERINE-CARBOXYL TYPE PROTEINASE, KUMAMOLYSIN (KSCP)
Descriptor:KUMAMOLYSIN, CALCIUM ION
Authors:Comellas-Bigler, M., Fuentes-Prior, P., Maskos, K., Huber, R., Oyama, H., Uchida, K., Dunn, B.M., Oda, K., Bode, W.
Deposit date:2002-01-15
Release date:2002-06-13
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The 1.4 A Crystal Structure of Kumamolysin. A Thermostable Serine-Carboxyl-Type Proteinase
Structure, 10, 2002
1GTJ
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CRYSTAL STRUCTURE OF THE THERMOSTABLE SERINE-CARBOXYL TYPE PROTEINASE, KUMAMOLISIN (KSCP) - COMPLEX WITH AC-ILE-ALA-PHE-CHO
Descriptor:KUMAMOLYSIN, ALDEHYDE INHIBITOR, SULFATE ION, ...
Authors:Comellas-Bigler, M., Fuentes-Prior, P., Maskos, K., Huber, R., Oyama, H., Uchida, K., Dunn, B.M., Oda, K., Bode, W.
Deposit date:2002-01-15
Release date:2002-06-13
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The 1.4 A Crystal Structure of Kumamolysin. A Thermostable Serine-Carboxyl-Type Proteinase
Structure, 10, 2002
1GTL
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THE THERMOSTABLE SERINE-CARBOXYL TYPE PROTEINASE, KUMAMOLISIN (KSCP) - COMPLEX WITH AC-ILE-PRO-PHE-CHO
Descriptor:KUMAMOLYSIN, ALDEHYDE INHIBITOR, CALCIUM ION, ...
Authors:Comellas-Bigler, M., Fuentes-Prior, P., Maskos, K., Huber, R., Oyama, H., Uchida, K., Dunn, B.M., Oda, K., Bode, W.
Deposit date:2002-01-16
Release date:2002-06-13
Last modified:2018-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The 1.4 A Crystal Structure of Kumamolysin. A Thermostable Serine-Carboxyl-Type Proteinase
Structure, 10, 2002
1NLU
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PSEUDOMONAS SEDOLISIN (SERINE-CARBOXYL PROTEINASE) COMPLEXED WITH TWO MOLECULES OF PSEUDO-IODOTYROSTATIN
Descriptor:SEDOLISIN, PSEUDO-IODOTYROSTATIN, CALCIUM ION
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
1SGU
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COMPARING THE ACCUMULATION OF ACTIVE SITE AND NON-ACTIVE SITE MUTATIONS IN THE HIV-1 PROTEASE
Descriptor:POL polyprotein, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
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:2018-01-31
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
1SH9
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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:2017-10-11
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
2A8I
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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
2A8J
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CRYSTAL STRUCTURE OF HUMAN TASPASE1 (ACIVATED FORM)
Descriptor:Threonine aspartase 1, CHLORIDE ION
Authors:Khan, J.A., Dunn, B.M., Tong, L.
Deposit date:2005-07-08
Release date:2005-10-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Taspase1, a Crucial Protease Regulating the Function of MLL.
Structure, 13, 2005
2A8L
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CRYSTAL STRUCTURE OF HUMAN TASPASE1 (T234A MUTANT)
Descriptor:Threonine aspartase 1
Authors:Khan, J.A., Dunn, B.M., Tong, L.
Deposit date:2005-07-08
Release date:2005-10-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Human Taspase1, a Crucial Protease Regulating the Function of MLL.
Structure, 13, 2005
2A8M
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CRYSTAL STRUCTURE OF HUMAN TASPASE1 (T234S MUTANT)
Descriptor:Threonine aspartase 1, CHLORIDE ION
Authors:Khan, J.A., Dunn, B.M., Tong, L.
Deposit date:2005-07-08
Release date:2005-10-25
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Human Taspase1, a Crucial Protease Regulating the Function of MLL.
Structure, 13, 2005
2ANL
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X-RAY CRYSTAL STRUCTURE OF THE ASPARTIC PROTEASE PLASMEPSIN 4 FROM THE MALARIAL PARASITE PLASMODIUM MALARIAE BOUND TO AN ALLOPHENYLNORSTATINE BASED INHIBITOR
Descriptor:plasmepsin IV, (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
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:2017-10-11
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
2AQU
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STRUCTURE OF HIV-1 PROTEASE BOUND TO ATAZANAVIR
Descriptor:HIV-1 Protease, (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5,6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER
Authors:Clemente, J.C., Coman, R.M., Thiaville, M.M., Janka, L.K., Jeung, J.A., Nukoolkarn, S., Govindasamy, L., Agbandje-McKenna, M., McKenna, R., Leelamanit, W., Goodenow, M.M., Dunn, B.M.
Deposit date:2005-08-18
Release date:2006-08-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir.
Biochemistry, 45, 2006
2B60
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STRUCTURE OF HIV-1 PROTEASE MUTANT BOUND TO RITONAVIR
Descriptor:Gag-Pol polyprotein, GLYCEROL, RITONAVIR
Authors:Clemente, J.C., Stow, L.R., Janka, L.K., Jeung, J.A., Desai, K.A., Govindasamy, L., Agbandje-McKenna, M., McKenna, R., Goodenow, M.M., Dunn, B.M.
Deposit date:2005-09-29
Release date:2006-11-14
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:In vivo, kinetic, and structural analysis of the development of ritonavir resistance
To be Published
2B7Z
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STRUCTURE OF HIV-1 PROTEASE MUTANT BOUND TO INDINAVIR
Descriptor:HIV-1 protease, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE
Authors:Clemente, J.C., Stow, L.R., Janka, L.K., Jeung, J.A., Desai, K.A., Govindasamy, L., Agbandje-McKenna, M., McKenna, R., Goodenow, M.M., Dunn, B.M.
Deposit date:2005-10-05
Release date:2006-11-14
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:In vivo, kinetic, and structural analysis of the development of ritonavir resistance
To be Published
2FLE
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STRUCTURAL ANALYSIS OF ASYMMETRIC INHIBITOR BOUND TO THE HIV-1 PROTEASE V82A MUTANT
Descriptor:pol protein, GLYCEROL, (2S,2'S)-N,N'-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE]
Authors:Clemente, J.C., Robbins, A., Dunn, B.M., Sussman, F.
Deposit date:2006-01-05
Release date:2007-01-16
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design, synthesis, evaluation, and crystallographic-based structural studies of HIV-1 protease inhibitors with reduced response to the V82A mutation.
J.Med.Chem., 51, 2008
2R5P
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 SUBTYPE C PROTEASE COMPLEXED WITH INDINAVIR
Descriptor:Protease, CHLORIDE ION, SODIUM ION, ...
Authors:Coman, R.M., Robbins, A.H., McKenna, R., Dunn, B.M.
Deposit date:2007-09-04
Release date:2007-11-20
Last modified:2017-10-25
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
2R5Q
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CRYSTAL STRUCTURE ANALYSIS OF HIV-1 SUBTYPE C PROTEASE COMPLEXED WITH NELFINAVIR
Descriptor:Protease, 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE
Authors:Coman, R.M., Robbins, A.H., McKenna, R., Dunn, B.M.
Deposit date:2007-09-04
Release date:2007-11-20
Last modified:2017-10-25
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
2R8N
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STRUCTURAL ANALYSIS OF THE UNBOUND FORM OF HIV-1 SUBTYPE C PROTEASE
Descriptor:Pol protein, GLYCEROL
Authors:Coman, R.M., Robbins, A.H., McKenna, R., Dunn, B.M.
Deposit date:2007-09-11
Release date:2008-07-29
Last modified:2017-10-25
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
2R9B
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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:2017-10-25
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
5UGQ
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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:2017-09-27
Method:X-RAY DIFFRACTION (2.609 Å)
Cite:Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c).
Biochemistry, 56, 2017
5UNO
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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:2017-09-27
Method:X-RAY DIFFRACTION (2.603 Å)
Cite:Structure Determination of Mycobacterium tuberculosis Serine Protease Hip1 (Rv2224c).
Biochemistry, 56, 2017
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