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PDB: 16 results

1RIW
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BU of 1riw by Molmil
Thrombin in complex with natural product inhibitor Oscillarin
Descriptor: (2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-6-HYDROXY-1-{N-[(2S)-2-HYDROXY-3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin IIB, ...
Authors:Hanessian, S, Tremblay, M, Petersen, J.F.W.
Deposit date:2003-11-18
Release date:2004-11-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The N-acyloxyiminium ion aza-Prins route to octahydroindoles: total synthesis and structural confirmation of the antithrombotic marine natural product oscillarin
J.Am.Chem.Soc., 126, 2004
4PDQ
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BU of 4pdq by Molmil
Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neomycin analog
Descriptor: (2S)-4-amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy }-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide, MAGNESIUM ION, RNA (5'-*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C-3')
Authors:Hanessian, S, Saavedra, O.M, Vilchis-Reyes, M.A, Maianti, J.P, Kanazawa, H, Dozzo, P, Feeney, L.A, Armstrong, E.S, Kondo, J.
Deposit date:2014-04-21
Release date:2015-01-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Synthesis, broad spectrum antibacterial activity, and X-ray co-crystal structure of the decoding bacterial ribosomal A-site with 4'-deoxy-4'-fluoro neomycin analogs
Chem Sci, 5, 2014
1YM4
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BU of 1ym4 by Molmil
Crystal structure of human beta secretase complexed with NVP-AMK640
Descriptor: Beta-secretase 1, NVP-AMK640 INHIBITOR
Authors:Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S.
Deposit date:2005-01-20
Release date:2006-01-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics
J.Med.Chem., 48, 2005
1YM2
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BU of 1ym2 by Molmil
Crystal structure of human beta secretase complexed with NVP-AUR200
Descriptor: Beta-secretase 1, NVP-AUR200 INHIBITOR
Authors:Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S.
Deposit date:2005-01-20
Release date:2006-01-17
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics
J.Med.Chem., 48, 2005
1QF4
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BU of 1qf4 by Molmil
DESIGN, SYNTHESIS, AND X-RAY CRYSTAL STRUCTURE OF AN ENZYME BOUND BISUBSTRATE HYBRID INHIBITOR OF ADENYLOSUCCINATE SYNTHETASE
Descriptor: (C8-R)-HYDANTOCIDIN 5'-PHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Hanessian, S, Lu, P.-P, Sanceau, J.-Y, Chemla, P, Gohda, K, Fonne-Pfister, R, Prade, L, Cowan-Jacob, S.W.
Deposit date:1999-04-06
Release date:1999-12-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An enzyme-bound bisubstrate hybrid inhibitor of adenylosuccinate synthetase
Angew.Chem.Int.Ed.Engl., 38, 1999
1QF5
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BU of 1qf5 by Molmil
DESIGN, SYNTHESIS, AND X-RAY CRYSTAL STRUCTURE OF AN ENZYME BOUND BISUBSTRATE HYBRID INHIBITOR OF ADENYLOSUCCINATE SYNTHETASE
Descriptor: (C8-S)-HYDANTOCIDIN 5'-PHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Hanessian, S, Lu, P.-P, Sanceau, J.-Y, Chemla, P, Prade, L, Gohda, K, Cowan-Jacob, S.W, Fonne-Pfister, R.
Deposit date:1999-04-06
Release date:1999-12-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:An enzyme-bound bisubstrate hybrid inhibitor of adenylosuccinate synthetase
Angew.Chem.Int.Ed.Engl., 38, 1999
2PWT
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BU of 2pwt by Molmil
Crystal structure of the bacterial ribosomal decoding site complexed with aminoglycoside containing the L-HABA group
Descriptor: 22-mer of the ribosomal decoding site, DOUBLY FUNCTIONALIZED PAROMOMYCIN PM-II-162
Authors:Kondo, J, Pachamuthu, K, Francois, B, Szychowski, J, Hanessian, S, Westhof, E.
Deposit date:2007-05-13
Release date:2007-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of the Bacterial Ribosomal Decoding Site Complexed with a Synthetic Doubly Functionalized Paromomycin Derivative: a New Specific Binding Mode to an A-Minor Motif Enhances in vitro Antibacterial Activity
Chemmedchem, 2, 2007
3S4P
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BU of 3s4p by Molmil
Crystal structure of the bacterial ribosomal decoding site complexed with an amphiphilic paromomycin O2''-ether analogue
Descriptor: (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside, RNA (5'-R(P*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3')
Authors:Szychowski, J, Kondo, J, Zahr, O, Auclair, K, Westhof, E, Hanessian, S, Keillor, J.W.
Deposit date:2011-05-20
Release date:2011-09-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Inhibition of aminoglycoside-deactivating enzymes APH(3')-IIIa and AAC(6')-Ii by amphiphilic paromomycin O2''-ether analogues
Chemmedchem, 6, 2011
6JBF
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BU of 6jbf by Molmil
Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neamine analog (axial 4'-F)
Descriptor: (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3')
Authors:Kanazawa, H, Auffinger, P, Hanessian, S, Kondo, J.
Deposit date:2019-01-25
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neamine analog (axial 4'-F)
To Be Published
6JBG
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BU of 6jbg by Molmil
Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neamine analog (equatorial 4'-F)
Descriptor: (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3'), RNA (5'-R(P*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3')
Authors:Kanazawa, H, Auffinger, P, Hanessian, S, Kondo, J.
Deposit date:2019-01-25
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neamine analog (axial 4'-F)
To Be Published
3WRU
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BU of 3wru by Molmil
Crystal structure of the bacterial ribosomal decoding site in complex with synthetic aminoglycoside with F-HABA group
Descriptor: (2R,3R)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,3,4,6-tetradeoxy-beta-L-threo-hexopyranosyl)-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-3-fluoro-2-hydroxybutanamide, POTASSIUM ION, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3')
Authors:Maianti, J.P, Kanazawa, H, Dozzo, P, Feeney, L.A, Armstrong, E.S, Kondo, J, Hanessian, S.
Deposit date:2014-02-27
Release date:2014-11-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Toxicity Modulation, Resistance Enzyme Evasion, and A-Site X-ray Structure of Broad-Spectrum Antibacterial Neomycin Analogs
Acs Chem.Biol., 9, 2014
5Z1I
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BU of 5z1i by Molmil
Crystal structure of the protozoal cytoplasmic ribosomal decoding site in complex with 6'-fluoro sisomicin
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(P*GP*CP*GP*UP*CP*GP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3')
Authors:Kanazawa, H, Hanessian, S, Kondo, J.
Deposit date:2017-12-26
Release date:2018-05-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Structure-Based Design of a Eukaryote-Selective Antiprotozoal Fluorinated Aminoglycoside.
ChemMedChem, 13, 2018
5Z1H
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BU of 5z1h by Molmil
Crystal structure of the bacterial ribosomal decoding site in complex with 6'-fluoro sisomicin
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3')
Authors:Kanazawa, H, Hanessian, S, Kondo, J.
Deposit date:2017-12-26
Release date:2018-05-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-Based Design of a Eukaryote-Selective Antiprotozoal Fluorinated Aminoglycoside.
ChemMedChem, 13, 2018
4GPY
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BU of 4gpy by Molmil
Crystal structure of the bacterial ribosomal decoding site in complex with 6'-hydroxysisomicin
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3')
Authors:Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S.
Deposit date:2012-08-22
Release date:2013-04-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites
Chemmedchem, 8, 2013
4GPW
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BU of 4gpw by Molmil
Crystal structure of the protozoal cytoplasmic ribosomal decoding site in complex with 6'-hydroxysisomicin (P21212 form)
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3')
Authors:Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S.
Deposit date:2012-08-22
Release date:2013-04-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites
Chemmedchem, 8, 2013
4GPX
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BU of 4gpx by Molmil
Crystal structure of the protozoal cytoplasmic ribosomal decoding site in complex with 6'-hydroxysisomicin (P212121 form)
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3')
Authors:Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S.
Deposit date:2012-08-22
Release date:2013-04-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites
Chemmedchem, 8, 2013

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