1G0E
 
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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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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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3C3T
 | | Role of a Glutamate Bridge Spanning the Dimeric Interface of Human Manganese Superoxide Dismutase | | Descriptor: | MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] | | Authors: | Quint, P.S, Domsic, J.F, Cabelli, D.E, McKenna, R, Silverman, D.N. | | Deposit date: | 2008-01-28 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Role of a glutamate bridge spanning the dimeric interface of human manganese superoxide dismutase.
Biochemistry, 47, 2008
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7NA6
 | | Cryo-EM structure of AAV True Type | | Descriptor: | Capsid protein VP1 | | Authors: | Bennett, A.D, McKenna, R. | | Deposit date: | 2021-06-19 | | Release date: | 2021-09-29 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Comparative structural, biophysical, and receptor binding study of true type and wild type AAV2.
J.Struct.Biol., 213, 2021
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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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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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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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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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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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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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3UX1
 | | Structural Characterization of Adeno-Associated Virus Serotype 9 | | Descriptor: | Capsid protein VP1 | | Authors: | DiMattia, M.A, Nam, H.-J, Van Vliet, K, Mitchell, M, McCall, A, Bennett, A, Gurda, B, McKenna, R, Potter, M, Sakai, Y, Byrne, B.J, Muzyczka, N, Aslanidi, G, Zolotukhin, S, Olson, N, Sinkovitis, R, Baker, T.S, Agbandje-McKenna, M. | | Deposit date: | 2011-12-03 | | Release date: | 2012-05-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural insight into the unique properties of adeno-associated virus serotype 9.
J.Virol., 86, 2012
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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
 | | 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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2AX2
 | | Production and X-ray crystallographic analysis of fully deuterated human carbonic anhydrase II | | Descriptor: | Carbonic anhydrase II, ZINC ION | | Authors: | Budayova-Spano, M, Fisher, S.Z, Dauvergne, M.T, Silverman, D.N, Myles, D.A.A, McKenna, R.M. | | Deposit date: | 2005-09-02 | | Release date: | 2006-01-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Production and X-ray crystallographic analysis of fully deuterated human carbonic anhydrase II.
Acta Crystallogr.,Sect.F, 62, 2006
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4TSH
 | | A Novel Protein Fold Forms an Intramolecular Lock to Stabilize the Tertiary Structure of Streptococcus mutans Adhesin P1 | | Descriptor: | CALCIUM ION, MAGNESIUM ION, Surface protein adhesin | | Authors: | Heim, K.P, Kailasan, S, McKenna, R, Brady, L.J. | | Deposit date: | 2014-06-18 | | Release date: | 2014-10-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | An intramolecular lock facilitates folding and stabilizes the tertiary structure of Streptococcus mutans adhesin P1.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4RXY
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6E9D
 | | Sub-2 Angstrom Ewald Curvature-Corrected Single-Particle Cryo-EM Reconstruction of AAV-2 L336C | | Descriptor: | Capsid protein VP1 | | Authors: | Tan, Y.Z, Aiyer, S, Mietzsch, M, Hull, J.A, McKenna, R, Baker, T.S, Agbandje-McKenna, M, Lyumkis, D. | | Deposit date: | 2018-07-31 | | Release date: | 2018-08-15 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (1.86 Å) | | Cite: | Sub-2 angstrom Ewald curvature corrected structure of an AAV2 capsid variant.
Nat Commun, 9, 2018
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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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8EP9
 | | The capsid structure of Human Parvovirus 4 | | Descriptor: | Human Parvovirus 4 | | Authors: | Mietzsch, M, McKenna, R. | | Deposit date: | 2022-10-05 | | Release date: | 2022-11-09 | | Method: | ELECTRON MICROSCOPY (3.12 Å) | | Cite: | Capsid Structure of Aleutian Mink Disease Virus and Human Parvovirus 4: New Faces in the Parvovirus Family Portrait.
Viruses, 14, 2022
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4FIK
 | | Human carbonic anhydrase II H64A complexed with thioxolone hydrolysis products | | Descriptor: | 2,4-dihydroxybenzenesulfenic acid, 4,4'-disulfanediyldibenzene-1,3-diol, 4-MERCAPTOBENZENE-1,3-DIOL, ... | | Authors: | Sippel, K.H, Genis, C, Govindasamy, L, Agbandje-McKenna, M, Tripp, B.C, McKenna, R. | | Deposit date: | 2012-06-08 | | Release date: | 2012-06-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Synchrotron Radiation Provides a Plausible Explanation for the Generation of a Free Radical Adduct of Thioxolone in Mutant Carbonic Anhydrase II.
J Phys Chem Lett, 1, 2010
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8FQ4
 | | AAV1 VP3 Only Capsid | | Descriptor: | Capsid protein | | Authors: | Mietzsch, M, McKenna, R. | | Deposit date: | 2023-01-05 | | Release date: | 2023-02-08 | | Last modified: | 2023-06-21 | | Method: | ELECTRON MICROSCOPY (2.27 Å) | | Cite: | Production and characterization of an AAV1-VP3-only capsid: An analytical benchmark standard.
Mol Ther Methods Clin Dev, 29, 2023
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3IXO
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8EP2
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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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