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2MEO
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BU of 2meo by Molmil
NMR solution structure of the double GS-Tamapin mutation R6A/R7A
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:del Rio-Portilla, F, Ramirez-Cordero, B.
Deposit date:2013-09-24
Release date:2014-05-28
Last modified:2014-07-02
Method:SOLUTION NMR
Cite:Cytotoxicity of recombinant tamapin and related toxin-like peptides on model cell lines.
Chem.Res.Toxicol., 27, 2014
5L57
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BU of 5l57 by Molmil
Crystal structure of Iso-citrate Dehydrogenase R132H in complex with a novel inhibitor (compound 13a)
Descriptor: (1~{R},5~{S})-3-[6-(3-methylbutoxy)-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Levy, C.
Deposit date:2016-05-28
Release date:2016-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.695 Å)
Cite:Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells.
J.Med.Chem., 59, 2016
5L58
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BU of 5l58 by Molmil
Crystal structure of Iso-citrate Dehydrogenase 1 [IDH1 (R132H)] in complex with a novel inhibitor (Compound 2)
Descriptor: 2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Levy, C.
Deposit date:2016-05-28
Release date:2016-12-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells.
J.Med.Chem., 59, 2016
7ZPT
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BU of 7zpt by Molmil
Crystal structure of MreB from Geobacillus stearothermophilus ATCC7953
Descriptor: Cell shape-determining protein MreB, PENTAETHYLENE GLYCOL
Authors:Li de la Sierra-Gallay, I, Mao, W.
Deposit date:2022-04-28
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:On the role of nucleotides and lipids in the polymerization of the actin homolog MreB from a Gram-positive bacterium.
Elife, 12, 2023
7ZPU
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BU of 7zpu by Molmil
Crystal structure of MreB from Geobacillus stearothermophilus ATCC7953 in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell shape-determining protein MreB
Authors:Li de la Sierra-Gallay, I, Mao, W.
Deposit date:2022-04-28
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:On the role of nucleotides and lipids in the polymerization of the actin homolog MreB from a Gram-positive bacterium.
Elife, 12, 2023
8AZG
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BU of 8azg by Molmil
Crystal structure of MreB from Geobacillus stearothermophilus ATCC7953 in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell shape-determining protein MreB, GLYCEROL
Authors:Li de la Sierra-Gallay, I, Mao, W.
Deposit date:2022-09-06
Release date:2023-09-13
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:On the role of nucleotides and lipids in the polymerization of the actin homolog MreB from a Gram-positive bacterium.
Elife, 12, 2023
2KY3
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BU of 2ky3 by Molmil
Solution structure of GS-alfa-Ktx5.4 synthetic scorpion like
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:Del Rio-Portilla, F, Ramirez-Cordero, B.E, Brieba-De Castro, L.
Deposit date:2010-05-14
Release date:2011-06-01
Last modified:2020-02-05
Method:SOLUTION NMR
Cite:Cytotoxicity of recombinant tamapin and related toxin-like peptides on model cell lines.
Chem.Res.Toxicol., 27, 2014
2LO7
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BU of 2lo7 by Molmil
Ts16 NMR solution structure
Descriptor: Toxin Ts16
Authors:del Rio-Portilla, F, Saucedo, A.L, Flores-Solis, D.
Deposit date:2012-01-17
Release date:2012-03-14
Last modified:2014-01-15
Method:SOLUTION NMR
Cite:New Tricks of an Old Pattern: STRUCTURAL VERSATILITY OF SCORPION TOXINS WITH COMMON CYSTEINE SPACING.
J.Biol.Chem., 287, 2012
2LU9
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BU of 2lu9 by Molmil
NMR solution structure of recombinant Tamapin
Descriptor: Potassium channel toxin alpha-KTx 5.4
Authors:del Rio-Portilla, F, Ramirez-Cordero, B.
Deposit date:2012-06-08
Release date:2013-12-11
Last modified:2014-07-02
Method:SOLUTION NMR
Cite:Cytotoxicity of recombinant tamapin and related toxin-like peptides on model cell lines.
Chem.Res.Toxicol., 27, 2014
1WRA
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BU of 1wra by Molmil
Crystal Structure of Phosphorylcholine Esterase Domain of the Virulence Factor Choline Binding Protein E from Streptococcus Pneumoniae
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, FE (III) ION, ...
Authors:Garau, G, Dideberg, O.
Deposit date:2004-10-13
Release date:2005-05-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of phosphorylcholine esterase domain of the virulence factor choline-binding protein e from streptococcus pneumoniae: new structural features among the metallo-beta-lactamase superfamily
J.Biol.Chem., 280, 2005
2IEH
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BU of 2ieh by Molmil
Crystal structure of human kinesin Eg5 in complex with (R)-mon97, a new monastrol-based inhibitor that binds as (R)-enantiomer
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Kinesin-like protein KIF11, ...
Authors:Garcia-Saez, I, Kozielski, F.
Deposit date:2006-09-19
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of human Eg5 in complex with a new monastrol-based inhibitor bound in the R configuration.
J.Biol.Chem., 282, 2007
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