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6SI1
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BU of 6si1 by Molmil
p53 cancer mutant Y220H
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellular tumor antigen p53, ...
Authors:Joerger, A.C, Kraemer, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2019-08-08
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Targeting Cavity-Creating p53 Cancer Mutations with Small-Molecule Stabilizers: the Y220X Paradigm.
Acs Chem.Biol., 15, 2020
5KXD
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BU of 5kxd by Molmil
Wisteria floribunda lectin in complex with GalNAc(beta1-4)GlcNAc (LacdiNAc) at pH 6.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Evans, S.V, Haji-Ghassemi, O.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular Basis for Recognition of the Cancer Glycobiomarker, LacdiNAc (GalNAc[ beta 14]GlcNAc), by Wisteria floribunda Agglutinin.
J.Biol.Chem., 291, 2016
5LOH
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BU of 5loh by Molmil
Kinase domain of human Greatwall
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, STAUROSPORINE, ...
Authors:Rajasekaran, M.B, Pearl, L.H, Oliver, A.W.
Deposit date:2016-08-09
Release date:2016-09-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A first generation inhibitor of human Greatwall kinase, enabled by structural and functional characterisation of a minimal kinase domain construct.
Oncotarget, 7, 2016
6GGD
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BU of 6ggd by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9324
Descriptor: Cellular tumor antigen p53, GLYCEROL, ZINC ION, ...
Authors:Joerger, A.C, Bauer, M.R.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.40000892 Å)
Cite:A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6GGB
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BU of 6ggb by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9318
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cellular tumor antigen p53, ...
Authors:Joerger, A.C, Bauer, M.R.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6GGA
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BU of 6gga by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9284
Descriptor: (7-bromanyl-9-ethyl-carbazol-3-yl)methyl-methyl-azanium, Cellular tumor antigen p53, ZINC ION
Authors:Joerger, A.C, Bauer, M.R.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.55000126 Å)
Cite:A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6GGE
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BU of 6gge by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9327
Descriptor: Cellular tumor antigen p53, ZINC ION, [9-ethyl-7-(5-methylthiophen-2-yl)carbazol-3-yl]methyl-methyl-azanium
Authors:Joerger, A.C, Bauer, M.R.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25000513 Å)
Cite:A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6GGC
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BU of 6ggc by Molmil
p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9320
Descriptor: 1,2-ETHANEDIOL, Cellular tumor antigen p53, GLYCEROL, ...
Authors:Joerger, A.C.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
6GGF
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BU of 6ggf by Molmil
Structure of the p53 cancer mutant Y220C in complex with small-molecule stabilizer PK9328
Descriptor: Cellular tumor antigen p53, GLYCEROL, ZINC ION, ...
Authors:Joerger, A.C, Bauer, M.R.
Deposit date:2018-05-03
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.32000017 Å)
Cite:A structure-guided molecular chaperone approach for restoring the transcriptional activity of the p53 cancer mutant Y220C.
Future Med Chem, 11, 2019
5G4M
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BU of 5g4m by Molmil
Crystal structure of the p53 cancer mutant Y220C in complex with a monofluorinated derivative of the small molecule stabilizer Phikan083
Descriptor: 1,2-ETHANEDIOL, 1-[9-(2-fluoroethyl)-9H-carbazol-3-yl]-N-methylmethanamine, CELLULAR TUMOR ANTIGEN P53, ...
Authors:Joerger, A.C, Bauer, M.
Deposit date:2016-05-13
Release date:2016-06-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Harnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of P53 Mutant Y220C Rescue Drugs.
Acs Chem.Biol., 11, 2016
7E48
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BU of 7e48 by Molmil
Crystal structure of InhA in complex with 3-nitropropanoic acid inhibitor
Descriptor: 3-NITROPROPANOIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH], GLYCEROL, ...
Authors:Songsiriritthigul, C, Hanwarinroj, C, Suttipanta, N, Kamsri, P, Kittakoop, P, Pungpo, P.
Deposit date:2021-02-10
Release date:2021-11-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Inhibition of Mycobacterium tuberculosis InhA by 3-nitropropanoic acid.
Proteins, 90, 2022
2C5H
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BU of 2c5h by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 2'deoxy-adenosine
Descriptor: (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, CHLORIDE ION, ...
Authors:McEwan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.R, O'Hagan, D, Naismith, J.H, Spencer, J.
Deposit date:2005-10-27
Release date:2006-10-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Substrates and Inhibitors of the Fluorinase from Streptomyces Cattleya
To be Published
2CC2
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BU of 2cc2 by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 5'deoxyadenosine
Descriptor: 5'-DEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, CHLORIDE ION
Authors:Mcewan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.R, O'Hagan, D, Spencer, J, Naismith, J.H.
Deposit date:2006-01-11
Release date:2007-03-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate specificity in enzymatic fluorination. The fluorinase from Streptomyces cattleya accepts 2'-deoxyadenosine substrates.
Org. Biomol. Chem., 4, 2006
2C5B
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BU of 2c5b by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with 2'deoxy-5'deoxy-fluoroadenosine.
Descriptor: 5'-FLUORO-2',5'-DIDEOXYADENOSINE, 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, METHIONINE
Authors:McEwan, A.R, Deng, H, McGlinchey, R.P, Robinson, D.A, O'Hagan, D, Naismith, J.H, Spencer, J.
Deposit date:2005-10-26
Release date:2007-02-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Substrate Specificity in Enzymatic Fluorination. The Fluorinase from Streptomyces Cattleya Accepts 2'-Deoxyadenosine Substrates.
Org.Biomol.Chem., 4, 2006
2CBX
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BU of 2cbx by Molmil
X-ray crystal structure of 5'-fluorodeoxyadenosine synthase from Streptomyces cattleya complexed with beta-D-erythrofuranosyl- adenosine
Descriptor: 5'-FLUORO-5'-DEOXYADENOSINE SYNTHASE, BETA-D-ERYTHROFURANOSYL-ADENOSINE, GLYCEROL
Authors:McEwan, A.R, Cadicamo, C.D, Deng, H, McGlinchey, R.P, Robinson, D.R, O'Hagan, D, Naismith, J.H, Spencer, J.
Deposit date:2006-01-09
Release date:2007-03-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Substrate specificity in enzymatic fluorination. The fluorinase from Streptomyces cattleya accepts 2'-deoxyadenosine substrates.
Org. Biomol. Chem., 4, 2006

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