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1ERQ
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BU of 1erq by Molmil
X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID
分子名称: 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID, TEM-1 BETA-LACTAMASE
著者Ness, S, Martin, R, Kindler, A.M, Paetzel, M, Gold, M, Jones, J.B, Strynadka, N.C.J.
登録日2000-04-06
公開日2000-05-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based design guides the improved efficacy of deacylation transition state analogue inhibitors of TEM-1 beta-Lactamase(,).
Biochemistry, 39, 2000
1ERO
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BU of 1ero by Molmil
X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
分子名称: (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID, TEM-1 BETA-LACTAMASE
著者Ness, S, Martin, R, Kindler, A.M, Paetzel, M, Gold, M, Jones, J.B, Strynadka, N.C.J.
登録日2000-04-06
公開日2000-05-10
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design guides the improved efficacy of deacylation transition state analogue inhibitors of TEM-1 beta-Lactamase(,).
Biochemistry, 39, 2000
1ERM
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BU of 1erm by Molmil
X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHANE BORONIC ACID
分子名称: 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID, TEM-1 BETA-LACTAMASE
著者Ness, S, Martin, R, Kindler, A.M, Paetzel, M, Gold, M, Jones, J.B, Strynadka, N.C.J.
登録日2000-04-06
公開日2000-05-10
最終更新日2012-06-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure-based design guides the improved efficacy of deacylation transition state analogue inhibitors of TEM-1 beta-Lactamase(,).
Biochemistry, 39, 2000
1YM4
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BU of 1ym4 by Molmil
Crystal structure of human beta secretase complexed with NVP-AMK640
分子名称: Beta-secretase 1, NVP-AMK640 INHIBITOR
著者Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S.
登録日2005-01-20
公開日2006-01-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献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
分子名称: Beta-secretase 1, NVP-AUR200 INHIBITOR
著者Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S.
登録日2005-01-20
公開日2006-01-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics
J.Med.Chem., 48, 2005
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
分子名称: (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')
著者Hanessian, S, Saavedra, O.M, Vilchis-Reyes, M.A, Maianti, J.P, Kanazawa, H, Dozzo, P, Feeney, L.A, Armstrong, E.S, Kondo, J.
登録日2014-04-21
公開日2015-01-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献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
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
分子名称: (C8-R)-HYDANTOCIDIN 5'-PHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Hanessian, S, Lu, P.-P, Sanceau, J.-Y, Chemla, P, Gohda, K, Fonne-Pfister, R, Prade, L, Cowan-Jacob, S.W.
登録日1999-04-06
公開日1999-12-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献An enzyme-bound bisubstrate hybrid inhibitor of adenylosuccinate synthetase
Angew.Chem.Int.Ed.Engl., 38, 1999
1RIW
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BU of 1riw by Molmil
Thrombin in complex with natural product inhibitor Oscillarin
分子名称: (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, ...
著者Hanessian, S, Tremblay, M, Petersen, J.F.W.
登録日2003-11-18
公開日2004-11-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献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
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
分子名称: (C8-S)-HYDANTOCIDIN 5'-PHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Hanessian, S, Lu, P.-P, Sanceau, J.-Y, Chemla, P, Prade, L, Gohda, K, Cowan-Jacob, S.W, Fonne-Pfister, R.
登録日1999-04-06
公開日1999-12-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献An enzyme-bound bisubstrate hybrid inhibitor of adenylosuccinate synthetase
Angew.Chem.Int.Ed.Engl., 38, 1999
3OJL
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BU of 3ojl by Molmil
Native structure of the UDP-N-acetyl-mannosamine dehydrogenase Cap5O from Staphylococcus aureus
分子名称: Cap5O, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Nessler, S, Gruszczyk, J, Olivares-Illana, V, Meyer, P, Morera, S, Grangeasse, C, Fleurie, A.
登録日2010-08-23
公開日2011-03-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure Analysis of the Staphylococcus aureus UDP-N-acetyl-mannosamine Dehydrogenase Cap5O Involved in Capsular Polysaccharide Biosynthesis.
J.Biol.Chem., 286, 2011
3OJO
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BU of 3ojo by Molmil
Derivative structure of the UDP-N-acetyl-mannosamine dehydrogenase Cap5O from S. aureus
分子名称: Cap5O, EUROPIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Nessler, S, Gruszczyk, J, Olivares-Illana, V, Meyer, P, Morera, S.
登録日2010-08-23
公開日2011-03-23
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure Analysis of the Staphylococcus aureus UDP-N-acetyl-mannosamine Dehydrogenase Cap5O Involved in Capsular Polysaccharide Biosynthesis.
J.Biol.Chem., 286, 2011
6G4J
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BU of 6g4j by Molmil
Structure of the protein kinase YabT from Bacillus subtilis in complex with an alphaREP crystallization helper
分子名称: Probable serine/threonine-protein kinase YabT, alphaREP bE8
著者Nessler, S, Cavagnino, A, Rabefiraisana, J.L.
登録日2018-03-27
公開日2019-01-30
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Structural Analysis of the Hanks-Type Protein Kinase YabT FromBacillus subtilisProvides New Insights in its DNA-Dependent Activation.
Front Microbiol, 9, 2018
8RWU
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BU of 8rwu by Molmil
ACDC domain of the AP2-I transcription factor from Plasmodium vivax
分子名称: AP2 domain transcription factor AP2-I, putative
著者Nessler, S, Le Berre, M, Gallay Li de la Sierra, I.
登録日2024-02-05
公開日2024-03-06
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (3.152 Å)
主引用文献Structural characterization of the ACDC domain from ApiAP2 proteins of the malaria parasite.
Biorxiv, 2024
8RXA
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BU of 8rxa by Molmil
ACDC domain of AP2-O5 from Plasmodium falciparum
分子名称: AP2 domain transcription factor AP2-O5, putative
著者Nessler, S, Le Berre, M, Gallay Li de la Sierra, I.
登録日2024-02-06
公開日2024-03-06
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Structural characterization of the ACDC domain from ApiAP2 proteins of the malaria parasite.
Biorxiv, 2024
8RXO
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BU of 8rxo by Molmil
ACDC domain of Plasmodium falciparum AP2-I transcription factor
分子名称: AP2 domain transcription factor AP2-I
著者Nessler, S, Le Berre, M, Li De La Sierra, I.
登録日2024-02-07
公開日2024-03-06
実験手法X-RAY DIFFRACTION (2.998 Å)
主引用文献Structural characterization of the ACDC domain from ApiAP2 proteins of the malaria parasite.
Biorxiv, 2024
6HU8
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BU of 6hu8 by Molmil
Apo form of the competence regulator ComR from Streptococcus vestibularis
分子名称: Transcriptional regulator ComR
著者Nessler, S, Thuillier, J, Ledesma, L, Hols, P.
登録日2018-10-05
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.894 Å)
主引用文献Molecular dissection of pheromone selectivity in the competence signaling system ComRS of streptococci.
Proc.Natl.Acad.Sci.USA, 117, 2020
6HUA
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BU of 6hua by Molmil
the competence regulator ComR from Streptococcus vestibularis in complex with its cognate signaling peptide XIP
分子名称: Uncharacterized protein, XIP signaling peptide
著者Nessler, S, Thuillier, J, Ledesma, L, Hols, P.
登録日2018-10-05
公開日2019-10-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.389 Å)
主引用文献Molecular dissection of pheromone selectivity in the competence signaling system ComRS of streptococci.
Proc.Natl.Acad.Sci.USA, 117, 2020
5DBK
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BU of 5dbk by Molmil
apo form of the quorum sensor NprR from B. thuringiensis
分子名称: Transcriptional regulator/TPR domain protein
著者Talagas, A, Perchat, S, Lereclus, D, Nessler, S.
登録日2015-08-21
公開日2016-07-13
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (3.241 Å)
主引用文献How Quorum Sensing Connects Sporulation to Necrotrophism in Bacillus thuringiensis.
Plos Pathog., 12, 2016
6QER
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BU of 6qer by Molmil
Apo Form Of ComR From S. Thermophilus in space group C2
分子名称: Transcriptional regulator
著者Thuillier, J, Nessler, S.
登録日2019-01-08
公開日2019-02-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.465 Å)
主引用文献Molecular dissection of pheromone selectivity in the competence signaling system ComRS of streptococci.
Proc.Natl.Acad.Sci.USA, 117, 2020
2QMH
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BU of 2qmh by Molmil
structure of V267F mutant HprK/P
分子名称: HPr kinase/phosphorylase
著者Chaptal, V, Vincent, F, Gueguen-Chaignon, V, Poncet, S, Deutscher, J, Nessler, S, Morera, S.
登録日2007-07-16
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Analysis of the Bacterial HPr Kinase/Phosphorylase V267F Mutant Gives Insights into the Allosteric Regulation Mechanism of This Bifunctional Enzyme.
J.Biol.Chem., 282, 2007
2VED
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BU of 2ved by Molmil
crystal structure of the chimerical mutant CapABK55M protein
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MEMBRANE PROTEIN CAPA1, ...
著者Olivares-Illana, V, Meyer, P, Gueguen-Chaignon, V, Soulat, D, Deustcher, J, Cozzone, A.J, Morera, S, Grangeasse, C, Nessler, S.
登録日2007-10-19
公開日2008-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Basis for the Regulation Mechanism of the Tyrosine Kinase Capb from Staphylococcus Aureus.
Plos Biol., 6, 2008
5JUF
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BU of 5juf by Molmil
Crystal structure of the apo form of ComR from S. thermophilus.
分子名称: SULFATE ION, Transcriptional regulator
著者Talagas, A, Fontaine, L, Ledesma, L, Li de la Sierra-Gallay, I, Hols, P, Nessler, S.
登録日2016-05-10
公開日2016-10-26
最終更新日2016-12-14
実験手法X-RAY DIFFRACTION (1.946 Å)
主引用文献Structural Insights into Streptococcal Competence Regulation by the Cell-to-Cell Communication System ComRS.
PLoS Pathog., 12, 2016
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
分子名称: (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')
著者Kanazawa, H, Hanessian, S, Kondo, J.
登録日2017-12-26
公開日2018-05-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Structure-Based Design of a Eukaryote-Selective Antiprotozoal Fluorinated Aminoglycoside.
ChemMedChem, 13, 2018
3BFV
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BU of 3bfv by Molmil
crystal structure of the chimerical protein CapAB
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Membrane protein CapA1, ...
著者Olivares-Illana, V, Meyer, P, Morera, S, Nessler, S.
登録日2007-11-23
公開日2008-06-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for the Regulation Mechanism of the Tyrosine Kinase CapB from Staphylococcus aureus.
Plos Biol., 6, 2008
5Z1H
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BU of 5z1h by Molmil
Crystal structure of the bacterial ribosomal decoding site in complex with 6'-fluoro sisomicin
分子名称: (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')
著者Kanazawa, H, Hanessian, S, Kondo, J.
登録日2017-12-26
公開日2018-05-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Based Design of a Eukaryote-Selective Antiprotozoal Fluorinated Aminoglycoside.
ChemMedChem, 13, 2018

 

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