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5UGQ
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BU of 5ugq by Molmil
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
5UOH
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BU of 5uoh by Molmil
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
5UNO
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BU of 5uno by Molmil
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
5BKM
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BU of 5bkm by Molmil
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
1SH9
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BU of 1sh9 by Molmil
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
1G0V
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BU of 1g0v by Molmil
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
6M9C
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BU of 6m9c by Molmil
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
6M9D
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BU of 6m9d by Molmil
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
6M9F
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BU of 6m9f by Molmil
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
6M8Y
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BU of 6m8y by Molmil
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
6M8W
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BU of 6m8w by Molmil
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
1DPJ
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BU of 1dpj by Molmil
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
1DP5
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BU of 1dp5 by Molmil
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
1GTL
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BU of 1gtl by Molmil
The thermostable serine-carboxyl type proteinase, kumamolisin (KSCP) - complex with Ac-Ile-Pro-Phe-cho
Descriptor: ALDEHYDE INHIBITOR, CALCIUM ION, KUMAMOLYSIN, ...
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:2023-12-13
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
1GT9
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BU of 1gt9 by Molmil
High resolution crystal structure of a thermostable serine-carboxyl type proteinase, kumamolisin (kscp)
Descriptor: CALCIUM ION, KUMAMOLYSIN, 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:2023-12-13
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
1GTJ
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BU of 1gtj by Molmil
Crystal structure of the thermostable serine-carboxyl type proteinase, kumamolisin (KSCP) - complex with Ac-Ile-Ala-Phe-cho
Descriptor: ALDEHYDE INHIBITOR, CALCIUM ION, KUMAMOLYSIN, ...
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:2023-12-13
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
1GTG
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BU of 1gtg by Molmil
Crystal structure of the thermostable serine-carboxyl type proteinase, kumamolysin (kscp)
Descriptor: CALCIUM ION, KUMAMOLYSIN
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:2023-12-13
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
1NLU
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BU of 1nlu by Molmil
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
2R5P
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BU of 2r5p by Molmil
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
2R5Q
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BU of 2r5q by Molmil
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
2R8N
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BU of 2r8n by Molmil
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
1SGU
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BU of 1sgu by Molmil
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
2R9B
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BU of 2r9b by Molmil
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
2FLE
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BU of 2fle by Molmil
Structural analysis of asymmetric inhibitor bound to the HIV-1 Protease V82A mutant
Descriptor: (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], GLYCEROL, pol protein
Authors:Clemente, J.C, Robbins, A, Dunn, B.M, Sussman, F.
Deposit date:2006-01-05
Release date:2007-01-16
Last modified:2023-08-30
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
2A8I
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BU of 2a8i by Molmil
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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