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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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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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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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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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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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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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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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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3RA9
 | | Structural studies of AAV8 capsid transitions associated with endosomal trafficking | | Descriptor: | Capsid protein, DNA (5'-D(P*CP*A)-3') | | Authors: | Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M. | | Deposit date: | 2011-03-27 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
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3RA8
 | | Structural studies of AAV8 capsid transitions associated with endosomal trafficking | | Descriptor: | ADENOSINE MONOPHOSPHATE, Capsid protein | | Authors: | Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M. | | Deposit date: | 2011-03-27 | | Release date: | 2011-09-21 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
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3RAA
 | | Structural studies of AAV8 capsid transitions associated with endosomal trafficking | | Descriptor: | ADENOSINE MONOPHOSPHATE, Capsid protein | | Authors: | Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M. | | Deposit date: | 2011-03-27 | | Release date: | 2011-09-21 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
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3RA2
 | | Structural studies of AAV8 capsid transitions associated with endosomal trafficking | | Descriptor: | Capsid protein | | Authors: | Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M. | | Deposit date: | 2011-03-26 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
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3RA4
 | | Structural studies of AAV8 capsid transitions associated with endosomal trafficking | | Descriptor: | Capsid protein, DNA (5'-D(*CP*A)-3') | | Authors: | Nam, H.-J, Gurda, B, McKenna, R, Porter, M, Byrne, B, Salganik, M, Muzyczka, N, Agbandje-McKenna, M. | | Deposit date: | 2011-03-27 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural studies of adeno-associated virus serotype 8 capsid transitions associated with endosomal trafficking.
J.Virol., 85, 2011
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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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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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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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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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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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7L0X
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7L0Y
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