6WH7
 
 | | Capsid structure of Penaeus monodon metallodensovirus following EDTA treatment | | Descriptor: | Penaeus monodon metallodensovirus major capsid protein | | Authors: | Penzes, J.J, Pham, H.T, Chipman, P, Bhattacharya, N, McKenna, R, Agbandje-McKenna, M, Tijssen, P. | | Deposit date: | 2020-04-07 | | Release date: | 2020-04-22 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | Molecular biology and structure of a novel penaeid shrimp densovirus elucidate convergent parvoviral host capsid evolution.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7MT0
 | | Structure of the adeno-associated virus 9 capsid at pH 7.4 | | Descriptor: | Capsid protein VP1 | | Authors: | Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M. | | Deposit date: | 2021-05-12 | | Release date: | 2021-06-02 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
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7MTZ
 | | Structure of the adeno-associated virus 9 capsid at pH pH 7.4 in complex with terminal galactose | | Descriptor: | Capsid protein VP1, beta-D-galactopyranose | | Authors: | Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M. | | Deposit date: | 2021-05-14 | | Release date: | 2021-06-09 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.43 Å) | | Cite: | Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
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7MUA
 | | Structure of the adeno-associated virus 9 capsid at pH pH 5.5 in complex with terminal galactose | | Descriptor: | Capsid protein VP1, beta-D-galactopyranose | | Authors: | Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M. | | Deposit date: | 2021-05-14 | | Release date: | 2021-06-09 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.68 Å) | | Cite: | Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
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7MTG
 | | Structure of the adeno-associated virus 9 capsid at pH 6.0 | | Descriptor: | Capsid protein VP1 | | Authors: | Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M. | | Deposit date: | 2021-05-13 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.67 Å) | | Cite: | Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
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7MTP
 | | Structure of the adeno-associated virus 9 capsid at pH 5.5 | | Descriptor: | Capsid protein VP1 | | Authors: | Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M. | | Deposit date: | 2021-05-13 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.79 Å) | | Cite: | Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
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7MTW
 | | Structure of the adeno-associated virus 9 capsid at pH 4.0 | | Descriptor: | Capsid protein VP1 | | Authors: | Penzes, J.J, Chipman, P, Bhattacharya, N, Zeher, A, Huang, R, McKenna, R, Agbandje-McKenna, M. | | Deposit date: | 2021-05-13 | | Release date: | 2021-07-21 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.99 Å) | | Cite: | Adeno-associated Virus 9 Structural Rearrangements Induced by Endosomal Trafficking pH and Glycan Attachment.
J.Virol., 95, 2021
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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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3OKV
 | | Human Carbonic Anhydrase II A65S, N67Q (CA IX mimic) bound with 2-Ethylestrone 3-O-sulfamate | | Descriptor: | (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | | Deposit date: | 2010-08-25 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
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3OIK
 | | Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3,17-O,O-bis-sulfamate | | Descriptor: | (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | | Deposit date: | 2010-08-19 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
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3OIM
 | | Human Carbonic anhydrase II bound by 2-Ethylestradiol 3-O-sulfamate | | Descriptor: | (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | | Deposit date: | 2010-08-19 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
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3OKU
 | | Human Carbonic Anhydrase II in complex with 2-Ethylestrone-3-O-sulfamate | | Descriptor: | (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | | Deposit date: | 2010-08-25 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
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3OIL
 | | Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3-O-sulfamate | | Descriptor: | (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, ZINC ION | | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | | Deposit date: | 2010-08-19 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
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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
 | | 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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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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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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1S5O
 | | Structural and Mutational Characterization of L-carnitine Binding to Human carnitine Acetyltransferase | | Descriptor: | CARNITINE, carnitine acetyltransferase isoform 2 | | Authors: | Govindasamy, L, Kukar, T, Lian, W, Pedersen, B, Gu, Y, Agbandje-Mckenna, M, Jin, S, Mckenna, R, Wu, D. | | Deposit date: | 2004-01-21 | | Release date: | 2004-02-03 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and mutational characterization of l-carnitine binding to human carnitine acetyltransferase.
J.Struct.Biol., 146, 2004
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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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1T1U
 | | Structural Insights and Functional Implications of Choline Acetyltransferase | | Descriptor: | Choline O-acetyltransferase | | Authors: | Govindasamy, L, Pedersen, B, Lian, W, Kukar, T, Gu, Y, Jin, S, Agbandje-McKenna, M, Wu, D. | | Deposit date: | 2004-04-18 | | Release date: | 2005-04-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural insights and functional implications of choline acetyltransferase
J.Struct.Biol., 148, 2004
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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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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
 | | 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
 | | 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
 | | 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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