1LCU
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![BU of 1lcu by Molmil](/molmil-images/mine/1lcu) | Polylysine Induces an Antiparallel Actin Dimer that Nucleates Filament Assembly: Crystal Structure at 3.5 A Resolution | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Bubb, M.R, Govindasamy, L, Yarmola, E.G, Vorobiev, S.M, Almo, S.C, Somasundaram, T, Chapman, M.S, Agbandje-Mckenna, M, Mckenna, R. | Deposit date: | 2002-04-06 | Release date: | 2002-05-01 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Polylysine induces an antiparallel actin dimer that nucleates filament assembly: crystal structure at 3.5-A resolution. J.Biol.Chem., 277, 2002
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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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2AQU
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![BU of 2aqu by Molmil](/molmil-images/mine/2aqu) | Structure of HIV-1 protease bound to atazanavir | Descriptor: | (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, HIV-1 Protease | 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: | 2023-08-23 | 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
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2B7Z
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![BU of 2b7z by Molmil](/molmil-images/mine/2b7z) | 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: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | In vivo, kinetic, and structural analysis of the development of ritonavir resistance To be Published
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2B60
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![BU of 2b60 by Molmil](/molmil-images/mine/2b60) | Structure of HIV-1 protease mutant bound to Ritonavir | Descriptor: | GLYCEROL, Gag-Pol polyprotein, 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: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | In vivo, kinetic, and structural analysis of the development of ritonavir resistance To be Published
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2EU2
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![BU of 2eu2 by Molmil](/molmil-images/mine/2eu2) | Human Carbonic Anhydrase II in complex with novel inhibitors | Descriptor: | (R)-1-AMINO-1-[5-(DIMETHYLAMINO)-1,3,4-THIADIAZOL-2-YL]METHANESULFONAMIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Fisher, S.Z, Govindasamy, L, Boyle, N, Agbandje-McKenna, M, Silverman, D.N, Blackburn, G.M, McKenna, R. | Deposit date: | 2005-10-28 | Release date: | 2006-07-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | X-ray crystallographic studies reveal that the incorporation of spacer groups in carbonic anhydrase inhibitors causes alternate binding modes. Acta Crystallogr.,Sect.F, 62, 2006
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2EU3
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![BU of 2eu3 by Molmil](/molmil-images/mine/2eu3) | Human Carbonic anhydrase II in complex with novel inhibitors | Descriptor: | 1-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1,1-DIFLUOROMETHANESULFONAMIDE, Carbonic anhydrase 2, ZINC ION | Authors: | Fisher, S.Z, Govindasamy, L, Boyle, N, Agbandje-McKenna, M, Silverman, D.N, Blackburn, G.M, McKenna, R. | Deposit date: | 2005-10-28 | Release date: | 2006-07-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | X-ray crystallographic studies reveal that the incorporation of spacer groups in carbonic anhydrase inhibitors causes alternate binding modes. Acta Crystallogr.,Sect.F, 62, 2006
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1Z1C
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![BU of 1z1c by Molmil](/molmil-images/mine/1z1c) | Structural Determinants of Tissue Tropism and In Vivo Pathogenicity for the Parvovirus Minute virus of Mice | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5'-D(*AP*CP*AP*CP*CP*AP*AP*AP*A)-3', 5'-D(*AP*TP*CP*CP*TP*CP*TP*AP*TP*CP*AP*C)-3', ... | Authors: | Kontou, M, Govindasamy, L, Nam, H.J, Bryant, N, Llamas-Saiz, A.L, Foces-Foces, C, Hernando, E, Rubio, M.P, McKenna, R, Almendral, J.M, Agbandje-McKenna, M. | Deposit date: | 2005-03-03 | Release date: | 2005-09-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural determinants of tissue tropism and in vivo pathogenicity for the parvovirus minute virus of mice. J.Virol., 79, 2005
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2G8G
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![BU of 2g8g by Molmil](/molmil-images/mine/2g8g) | Structurally mapping the diverse phenotype of Adeno-Associated Virus serotype 4 | Descriptor: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid | Authors: | Govindasamy, L, Padron, E, McKenna, R, Muzyczka, N, Chiorini, J.A, Agbandje-McKenna, M. | Deposit date: | 2006-03-02 | Release date: | 2007-01-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structurally mapping the diverse phenotype of adeno-associated virus serotype 4. J.Virol., 80, 2006
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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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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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1Z14
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![BU of 1z14 by Molmil](/molmil-images/mine/1z14) | Structural Determinants of Tissue Tropism and In Vivo Pathogenicity for the Parvovirus Minute Virus of Mice | Descriptor: | VP2 | Authors: | Kontou, M, Govindasamy, L, Nam, H.J, Bryant, N, Llamas-Saiz, A.L, Foces-Foces, C, Hernando, E, Rubio, M.P, McKenna, R, Almendral, J.M, Agbandje-McKenna, M. | Deposit date: | 2005-03-03 | Release date: | 2005-09-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structural determinants of tissue tropism and in vivo pathogenicity for the parvovirus minute virus of mice. J.Virol., 79, 2005
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1Z97
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![BU of 1z97 by Molmil](/molmil-images/mine/1z97) | Human Carbonic Anhydrase III: Structural and Kinetic Study of Catalysis and Proton Transfer. | Descriptor: | Carbonic anhydrase III, ZINC ION | Authors: | Duda, D.M, Tu, C, Fisher, S.Z, An, H, Yoshioka, C, Govindasamy, L, Laipis, P.J, Agbandje-McKenna, M, Silverman, D.N, McKenna, R. | Deposit date: | 2005-03-31 | Release date: | 2005-08-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human Carbonic Anhydrase III: Structural and Kinetic Study of Catalysis and Proton Transfer Biochemistry, 44, 2005
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1Z93
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![BU of 1z93 by Molmil](/molmil-images/mine/1z93) | Human Carbonic Anhydrase III:Structural and Kinetic study of Catalysis and Proton Transfer. | Descriptor: | Carbonic anhydrase III, ZINC ION | Authors: | Duda, D.M, Tu, C, Fisher, S.Z, An, H, Yoshioka, C, Govindasamy, L, Laipis, P.J, Agbandje-McKenna, M, Silverman, D.N, McKenna, R. | Deposit date: | 2005-03-31 | Release date: | 2005-08-09 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human Carbonic Anhydrase III: Structural and Kinetic Study of Catalysis and Proton Transfer Biochemistry, 44, 2005
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1RDW
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![BU of 1rdw by Molmil](/molmil-images/mine/1rdw) | Actin Crystal Dynamics: Structural Implications for F-actin Nucleation, Polymerization and Branching Mediated by the Anti-parallel Dimer | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Reutzel, R, Yoshioka, C, Govindasamy, L, Yarmola, E.G, Agbandje-Mckenna, M, Bubb, M.R, Mckenna, R. | Deposit date: | 2003-11-06 | Release date: | 2003-12-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Actin crystal dynamics: structural implications for F-actin nucleation, polymerization, and branching mediated by the anti-parallel dimer. J.Struct.Biol., 146, 2004
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3UYN
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![BU of 3uyn by Molmil](/molmil-images/mine/3uyn) | HCA 3 | Descriptor: | Carbonic anhydrase 3, ZINC ION | Authors: | Fisher, Z, McKenna, R. | Deposit date: | 2011-12-06 | Release date: | 2012-02-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III. Proteins, 68, 2007
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3UYQ
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![BU of 3uyq by Molmil](/molmil-images/mine/3uyq) | HCA 3 | Descriptor: | Carbonic anhydrase 3, ZINC ION | Authors: | Fisher, Z, McKenna, R. | Deposit date: | 2011-12-06 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and kinetic analysis of proton shuttle residues in the active site of human carbonic anhydrase III. Proteins, 68, 2007
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1RFQ
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![BU of 1rfq by Molmil](/molmil-images/mine/1rfq) | Actin Crystal Dynamics: Structural Implications for F-actin Nucleation, Polymerization and Branching Mediated by the Anti-parallel Dimer | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Reutzel, R, Yoshioka, C, Govindasamy, L, Yarmola, E.G, Agbandje-McKenna, M, Bubb, M.R, McKenna, R. | Deposit date: | 2003-11-10 | Release date: | 2003-12-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Actin crystal dynamics: structural implications for F-actin nucleation, polymerization, and branching mediated by the anti-parallel dimer. J.Struct.Biol., 146, 2004
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2OSM
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![BU of 2osm by Molmil](/molmil-images/mine/2osm) | Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study | Descriptor: | 2-MERCAPTOPHENOL, Carbonic anhydrase 2, ZINC ION | Authors: | Albert, A.B, Caroli, G, Govindasamy, L, Agbandje-Mckenna, M, McKenna, R, Tripp, B.C. | Deposit date: | 2007-02-06 | Release date: | 2008-02-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study. Biochemistry, 47, 2008
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2OSF
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![BU of 2osf by Molmil](/molmil-images/mine/2osf) | Inhibition of Carbonic Anhydrase II by Thioxolone: A Mechanistic and Structural Study | Descriptor: | 4-MERCAPTOBENZENE-1,3-DIOL, Carbonic anhydrase 2, S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate, ... | Authors: | Albert, A.B, Caroli, G, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Tripp, B.C. | Deposit date: | 2007-02-05 | Release date: | 2008-05-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Inhibition of carbonic anhydrase II by thioxolone: a mechanistic and structural study. Biochemistry, 47, 2008
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3KKY
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![BU of 3kky by Molmil](/molmil-images/mine/3kky) | Structure of Manganese Superoxide Dismutase from Deinococcus Radiodurans in the orthorhombic space group P212121: A case study of mistaken identity | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn] | Authors: | Govindasamy, L, Mikulski, R, McKenna, M.A, Silverman, D.N, McKenna, R. | Deposit date: | 2009-11-06 | Release date: | 2010-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of Manganese Superoxide dismutase from Deinococcus Radiodurans in the orthorhombic space group P212121: A case study of mistaken identity To be Published
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3V3H
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![BU of 3v3h by Molmil](/molmil-images/mine/3v3h) | |
3HS4
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![BU of 3hs4 by Molmil](/molmil-images/mine/3hs4) | Human carbonic anhydrase II complexed with acetazolamide | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Robbins, A.H, Genis, C, Domsic, J, Sippel, K.H, Agbandje-McKenna, M, McKenna, R. | Deposit date: | 2009-06-10 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | High-resolution structure of human carbonic anhydrase II complexed with acetazolamide reveals insights into inhibitor drug design. Acta Crystallogr.,Sect.F, 65, 2009
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3V3G
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![BU of 3v3g by Molmil](/molmil-images/mine/3v3g) | |
3V3I
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![BU of 3v3i by Molmil](/molmil-images/mine/3v3i) | |