7L5R
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![BU of 7l5r by Molmil](/molmil-images/mine/7l5r) | Crystal Structure of the Oxacillin-hydrolyzing Class D Extended-spectrum Beta-lactamase OXA-14 from Pseudomonas aeruginosa | Descriptor: | Beta-lactamase, GLYCEROL, SULFATE ION | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-22 | Release date: | 2021-12-29 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Functional and Structural Characterization of OXA-935, a Novel OXA-10-Family beta-Lactamase from Pseudomonas aeruginosa. Antimicrob.Agents Chemother., 66, 2022
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7JYY
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![BU of 7jyy by Molmil](/molmil-images/mine/7jyy) | Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA)pUpUpApApA (Cap-0) and S-Adenosylmethionine (SAM). | Descriptor: | 2'-O-methyltransferase, CHLORIDE ION, FORMIC ACID, ... | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-09-01 | Release date: | 2020-09-16 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2'- O -methyl transfer by SARS-CoV-2 nsp16. Sci.Signal., 14, 2021
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6C4V
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![BU of 6c4v by Molmil](/molmil-images/mine/6c4v) | 1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (residues 1350-1461) of Polyketide Synthase Pks13 from Mycobacterium tuberculosis | Descriptor: | Polyketide synthase Pks13, ZINC ION | Authors: | Minasov, G, Brunzelle, J.S, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-01-12 | Release date: | 2018-01-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1.9 Angstrom Resolution Crystal Structure of Acyl Carrier Protein Domain (residues 1350-1461) of Polyketide Synthase Pks13 from Mycobacterium tuberculosis. To be Published
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4RQW
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![BU of 4rqw by Molmil](/molmil-images/mine/4rqw) | Crystal structure of Myc3 N-terminal JAZ-binding domain [44-238] from Arabidopsis | Descriptor: | CALCIUM ION, Transcription factor MYC3 | Authors: | Ke, J, Zhang, F, Zhou, X.E, Brunzelle, J, Zhou, M, Xu, H.E, Melcher, K, He, S.Y. | Deposit date: | 2014-11-05 | Release date: | 2015-08-12 | Last modified: | 2015-09-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of JAZ repression of MYC transcription factors in jasmonate signalling. Nature, 525, 2015
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7L6R
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![BU of 7l6r by Molmil](/molmil-images/mine/7l6r) | Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and Manganese (Mn). | Descriptor: | 2'-O-methyltransferase, CHLORIDE ION, MANGANESE (II) ION, ... | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-23 | Release date: | 2021-01-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2'- O -methyl transfer by SARS-CoV-2 nsp16. Sci.Signal., 14, 2021
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7L6T
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![BU of 7l6t by Molmil](/molmil-images/mine/7l6t) | Crystal Structure of SARS-CoV-2 Nsp16/10 Heterodimer in Complex with (m7GpppA2m)pUpUpApApA (Cap-1), S-Adenosyl-L-homocysteine (SAH) and two Magnesium (Mg) ions. | Descriptor: | 2'-O-methyltransferase, CHLORIDE ION, FORMIC ACID, ... | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-23 | Release date: | 2021-01-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Mn 2+ coordinates Cap-0-RNA to align substrates for efficient 2'- O -methyl transfer by SARS-CoV-2 nsp16. Sci.Signal., 14, 2021
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6D0G
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![BU of 6d0g by Molmil](/molmil-images/mine/6d0g) | 1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii | Descriptor: | BROMIDE ION, MANGANESE (II) ION, Pirin family protein | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Dubrovska, I, Kiryukhina, O, Endres, M, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-04-10 | Release date: | 2018-04-25 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | 1.78 Angstrom Resolution Crystal Structure of Quercetin 2,3-dioxygenase from Acinetobacter baumannii. To be Published
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1IG1
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![BU of 1ig1 by Molmil](/molmil-images/mine/1ig1) | 1.8A X-Ray structure of ternary complex of a catalytic domain of death-associated protein kinase with ATP analogue and Mn. | Descriptor: | MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, death-associated protein kinase | Authors: | Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M. | Deposit date: | 2001-04-16 | Release date: | 2002-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression. Nat.Struct.Biol., 8, 2001
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1JKK
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![BU of 1jkk by Molmil](/molmil-images/mine/1jkk) | 2.4A X-RAY STRUCTURE OF TERNARY COMPLEX OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE WITH ATP ANALOGUE AND MG. | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M. | Deposit date: | 2001-07-12 | Release date: | 2002-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression. Nat.Struct.Biol., 8, 2001
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1JKL
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![BU of 1jkl by Molmil](/molmil-images/mine/1jkl) | 1.6A X-RAY STRUCTURE OF BINARY COMPLEX OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE WITH ATP ANALOGUE | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M. | Deposit date: | 2001-07-12 | Release date: | 2002-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression. Nat.Struct.Biol., 8, 2001
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1JKS
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![BU of 1jks by Molmil](/molmil-images/mine/1jks) | 1.5A X-RAY STRUCTURE OF APO FORM OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE | Authors: | Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M. | Deposit date: | 2001-07-13 | Release date: | 2002-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression. Nat.Struct.Biol., 8, 2001
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1JKT
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![BU of 1jkt by Molmil](/molmil-images/mine/1jkt) | TETRAGONAL CRYSTAL FORM OF A CATALYTIC DOMAIN OF DEATH-ASSOCIATED PROTEIN KINASE | Descriptor: | DEATH-ASSOCIATED PROTEIN KINASE | Authors: | Tereshko, V, Teplova, M, Brunzelle, J, Watterson, D.M, Egli, M. | Deposit date: | 2001-07-13 | Release date: | 2002-04-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Crystal structures of the catalytic domain of human protein kinase associated with apoptosis and tumor suppression. Nat.Struct.Biol., 8, 2001
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4ETS
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![BU of 4ets by Molmil](/molmil-images/mine/4ets) | |
4P0C
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![BU of 4p0c by Molmil](/molmil-images/mine/4p0c) | Crystal Structure of NHERF2 PDZ1 Domain in Complex with LPA2 | Descriptor: | CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF2/Lysophosphatidic acid receptor 2 chimeric protein, THIOCYANATE ION | Authors: | Holcomb, J, Jiang, Y, Lu, G, Trescott, L, Brunzelle, J, Sirinupong, N, Li, C, Naren, A, Yang, Z. | Deposit date: | 2014-02-20 | Release date: | 2014-05-21 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.339 Å) | Cite: | Structural insights into PDZ-mediated interaction of NHERF2 and LPA2, a cellular event implicated in CFTR channel regulation. Biochem.Biophys.Res.Commun., 446, 2014
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4Q3H
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![BU of 4q3h by Molmil](/molmil-images/mine/4q3h) | The crystal structure of NHERF1 PDZ2 CXCR2 complex revealed by the NHERF1 CXCR2 chimeric protein | Descriptor: | Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Holcomb, J, Jiang, Y, Trescott, L, Lu, G, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2014-04-11 | Release date: | 2014-05-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.443 Å) | Cite: | Crystal structure of the NHERF1 PDZ2 domain in complex with the chemokine receptor CXCR2 reveals probable modes of PDZ2 dimerization. Biochem.Biophys.Res.Commun., 448, 2014
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7L5V
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![BU of 7l5v by Molmil](/molmil-images/mine/7l5v) | Crystal Structure of the Class D Beta-lactamase OXA-935 from Pseudomonas aeruginosa, Monoclinic Crystal Form | Descriptor: | Beta-lactamase | Authors: | Minasov, G, Shuvalova, L, Rosas-Lemus, M, Brunzelle, J.S, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-12-23 | Release date: | 2021-12-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Functional and Structural Characterization of OXA-935, a Novel OXA-10-Family beta-Lactamase from Pseudomonas aeruginosa. Antimicrob.Agents Chemother., 66, 2022
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7LJX
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![BU of 7ljx by Molmil](/molmil-images/mine/7ljx) | Oxidized rat cytochrome c mutant (K53Q) | Descriptor: | Cytochrome c, somatic, HEME C, ... | Authors: | Huttemann, M, Edwards, B.F.P, Brunzelle, J.S, Vaishnav, A. | Deposit date: | 2021-02-01 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Lysine 53 Acetylation of Cytochrome c in Prostate Cancer: Warburg Metabolism and Evasion of Apoptosis. Cells, 10, 2021
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4PQW
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![BU of 4pqw by Molmil](/molmil-images/mine/4pqw) | Crystal Structure of Phospholipase C beta 3 in Complex with PDZ1 of NHERF1 | Descriptor: | CHLORIDE ION, NICKEL (II) ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1 | Authors: | Jiang, Y, Wang, S, Holcomb, J, Trescott, L, Guan, X, Hou, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z. | Deposit date: | 2014-03-04 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Crystallographic analysis of NHERF1-PLC beta 3 interaction provides structural basis for CXCR2 signaling in pancreatic cancer. Biochem.Biophys.Res.Commun., 446, 2014
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2FZV
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![BU of 2fzv by Molmil](/molmil-images/mine/2fzv) | Crystal Structure of an apo form of a Flavin-binding Protein from Shigella flexneri | Descriptor: | CALCIUM ION, CHLORIDE ION, putative arsenical resistance protein | Authors: | Vorontsov, I.I, Minasov, G, Brunzelle, J.S, Shuvalova, L, Collart, F.R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-02-10 | Release date: | 2006-02-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of an apo form of Shigella flexneri ArsH protein with an NADPH-dependent FMN reductase activity Protein Sci., 16, 2007
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2I8T
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![BU of 2i8t by Molmil](/molmil-images/mine/2i8t) | GDP-mannose mannosyl hydrolase-calcium-GDP-mannose complex | Descriptor: | CALCIUM ION, GDP-mannose mannosyl hydrolase, GLYCEROL, ... | Authors: | Zou, Y, Li, C, Brunzelle, J.S, Nair, S.K. | Deposit date: | 2006-09-03 | Release date: | 2007-06-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Molecular basis for substrate selectivity and specificity by an LPS biosynthetic enzyme Biochemistry, 46, 2007
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4OC9
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![BU of 4oc9 by Molmil](/molmil-images/mine/4oc9) | 2.35 Angstrom resolution crystal structure of putative O-acetylhomoserine (thiol)-lyase (metY) from Campylobacter jejuni subsp. jejuni NCTC 11168 with N'-Pyridoxyl-Lysine-5'-Monophosphate at position 205 | Descriptor: | GLYCEROL, IMIDAZOLE, PHOSPHATE ION, ... | Authors: | Halavaty, A.S, Brunzelle, J.S, Wawrzak, Z, Onopriyenko, O, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-01-08 | Release date: | 2014-03-12 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 2.35 Angstrom resolution crystal structure of putative O-acetylhomoserine (thiol)-lyase (metY) from Campylobacter jejuni subsp. jejuni NCTC 11168 with N'-Pyridoxyl-Lysine-5'-Monophosphate at position 205 To be Published
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3R0W
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![BU of 3r0w by Molmil](/molmil-images/mine/3r0w) | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors. | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2R)-1-{[(2S,3S)-5-{[(2R)-1-{[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino}-3-chloro-1-oxopropan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | Deposit date: | 2011-03-09 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds. Biochem.Biophys.Res.Commun., 421, 2012
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4BJH
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![BU of 4bjh by Molmil](/molmil-images/mine/4bjh) | Crystal Structure of the Aquifex Reactor Complex Formed by Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(phosphonacetyl)-L-aspartate (PALA) | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 1,2-ETHANEDIOL, ASPARTATE CARBAMOYLTRANSFERASE, ... | Authors: | Edwards, B.F.P, Martin, P.D, Grimley, E, Vaishnav, A, Fernando, R, Brunzelle, J.S, Cordes, M, Evans, H.G, Evans, D.R. | Deposit date: | 2013-04-18 | Release date: | 2013-12-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Mononuclear Metal Center of Type-I Dihydroorotase from Aquifex Aeolicus. Bmc Biochem., 14, 2013
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2FOR
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![BU of 2for by Molmil](/molmil-images/mine/2for) | Crystal Structure of the Shigella flexneri Farnesyl Pyrophosphate Synthase Complex with an Isopentenyl Pyrophosphate | Descriptor: | Geranyltranstransferase, ISOPENTYL PYROPHOSPHATE, PHOSPHATE ION | Authors: | Minasov, G, Brunzelle, J.S, Shuvalova, L, Collart, F.R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-01-13 | Release date: | 2006-01-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Shigella flexneri Farnesyl Pyrophosphate Synthase Complex with an Isopentenyl Pyrophosphate To be Published
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3R0Y
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![BU of 3r0y by Molmil](/molmil-images/mine/3r0y) | Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors | Descriptor: | Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide | Authors: | Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C. | Deposit date: | 2011-03-09 | Release date: | 2012-04-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds. Biochem.Biophys.Res.Commun., 421, 2012
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