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7U95
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BU of 7u95 by Molmil
SAAV pH 6.0 capsid structure
Descriptor: Capsid protein
Authors:Mietzsch, M, McKenna, R.
Deposit date:2022-03-10
Release date:2022-04-13
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity.
J.Virol., 96, 2022
7U97
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BU of 7u97 by Molmil
SAAV pH 4.0 capsid structure
Descriptor: Capsid protein
Authors:Mietzsch, M, McKenna, R.
Deposit date:2022-03-10
Release date:2022-04-13
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity.
J.Virol., 96, 2022
7U96
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BU of 7u96 by Molmil
SAAV pH 5.5 capsid structure
Descriptor: Capsid protein
Authors:Mietzsch, M, McKenna, R.
Deposit date:2022-03-10
Release date:2022-04-13
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (2.14 Å)
Cite:Characterization of the Serpentine Adeno-Associated Virus (SAAV) Capsid Structure: Receptor Interactions and Antigenicity.
J.Virol., 96, 2022
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
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
3UX1
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BU of 3ux1 by Molmil
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
4FIK
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BU of 4fik by Molmil
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
1Z1C
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BU of 1z1c by Molmil
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
1LCU
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BU of 1lcu by Molmil
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
2AQU
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BU of 2aqu by Molmil
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
2B7Z
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BU of 2b7z by Molmil
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
2B60
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BU of 2b60 by Molmil
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
2EU2
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BU of 2eu2 by Molmil
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
2EU3
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BU of 2eu3 by Molmil
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
8FQ4
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BU of 8fq4 by Molmil
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
7NA6
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BU of 7na6 by Molmil
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
8EP2
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BU of 8ep2 by Molmil
The capsid structure of Aleutian Mink Disease Virus
Descriptor: Capsid protein VP1
Authors:Mietzsch, M, McKenna, R.
Deposit date:2022-10-04
Release date:2022-11-09
Method:ELECTRON MICROSCOPY (2.37 Å)
Cite:Capsid Structure of Aleutian Mink Disease Virus and Human Parvovirus 4: New Faces in the Parvovirus Family Portrait.
Viruses, 14, 2022
8EP9
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BU of 8ep9 by Molmil
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
1Z14
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BU of 1z14 by Molmil
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
1RFQ
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BU of 1rfq by Molmil
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
1Z97
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BU of 1z97 by Molmil
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
1Z93
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BU of 1z93 by Molmil
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
2ANL
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BU of 2anl by Molmil
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
4TSH
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BU of 4tsh by Molmil
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
4RXY
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BU of 4rxy by Molmil
Crystal Structure of the Beta Carbonic Anhydrase psCA3 isolated from Pseudomonas aeruginosa
Descriptor: Carbonic anhydrase, GLYCEROL, ZINC ION
Authors:Pinard, M.A, Mckenna, R.
Deposit date:2014-12-12
Release date:2015-06-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structure and inhibition studies of a type II beta-carbonic anhydrase psCA3 from Pseudomonas aeruginosa.
Bioorg.Med.Chem., 23, 2015

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