Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
5O9Q
DownloadVisualize
BU of 5o9q by Molmil
Crystal structure of ScGas2 in complex with compound 6
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(phenylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,3-beta-glucanosyltransferase GAS2, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
Deposit date:2017-06-20
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5O6C
DownloadVisualize
BU of 5o6c by Molmil
Crystal Structure of a threonine-selective RCR E3 ligase
Descriptor: E3 ubiquitin-protein ligase MYCBP2, ZINC ION
Authors:Pao, K.-C, Rafie, K.Z, van Aalten, D, Virdee, S.
Deposit date:2017-06-06
Release date:2018-04-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Activity-based E3 ligase profiling uncovers an E3 ligase with esterification activity.
Nature, 556, 2018
5O9P
DownloadVisualize
BU of 5o9p by Molmil
Crystal structure of Gas2 in complex with compound 10
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2
Authors:Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
Deposit date:2017-06-19
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5OA2
DownloadVisualize
BU of 5oa2 by Molmil
Crystal structure of ScGas2 in complex with compound 8
Descriptor: 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, SULFATE ION, ...
Authors:Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
Deposit date:2017-06-20
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
5O9R
DownloadVisualize
BU of 5o9r by Molmil
Crystal structure of ScGas2 in complex with compound 9
Descriptor: (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(thiophen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ...
Authors:Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R.
Deposit date:2017-06-20
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibitors against Fungal Cell Wall Remodeling Enzymes.
ChemMedChem, 13, 2018
1D7E
DownloadVisualize
BU of 1d7e by Molmil
CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN
Descriptor: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
Authors:Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L.
Deposit date:1999-10-17
Release date:2000-03-31
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Conformational substates in different crystal forms of the photoactive yellow protein--correlation with theoretical and experimental flexibility.
Protein Sci., 9, 2000
1CW9
DownloadVisualize
BU of 1cw9 by Molmil
DNA DECAMER WITH AN ENGINEERED CROSSLINK IN THE MINOR GROOVE
Descriptor: 5'-D(*CP*CP*AP*GP*(G47)P*CP*CP*TP*GP*G)-3', CALCIUM ION
Authors:van Aalten, D.M.F, Erlanson, D.A, Verdine, G.L, Joshua-Tor, L.
Deposit date:1999-08-26
Release date:1999-10-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A structural snapshot of base-pair opening in DNA.
Proc.Natl.Acad.Sci.USA, 96, 1999
1O7V
DownloadVisualize
BU of 1o7v by Molmil
High resolution structure of Siglec-7
Descriptor: SIALIC ACID BINDING IG-LIKE LECTIN 7, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Alphey, M.S, Attrill, H, Crocker, P.R, Van Aalten, D.M.F.
Deposit date:2002-11-14
Release date:2003-03-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High resolution crystal structures of Siglec-7. Insights into ligand specificity in the Siglec family.
J.Biol.Chem., 278, 2003
1W1B
DownloadVisualize
BU of 1w1b by Molmil
Structure of Bacillus subtilis PdaA with Cadmium, a family 4 Carbohydrate esterase.
Descriptor: CADMIUM ION, PROBABLE POLYSACCHARIDE DEACETYLASE PDAA
Authors:Blair, D.E, van Aalten, D.M.F.
Deposit date:2004-06-18
Release date:2005-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of Bacillus subtilis PdaA, a family 4 carbohydrate esterase, and a complex with N-acetyl-glucosamine.
FEBS Lett., 570, 2004
4CDR
DownloadVisualize
BU of 4cdr by Molmil
Human O-GlcNAc transferase in complex with a bisubstrate inhibitor, Goblin1
Descriptor: GOBLIN1, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYLTRANSFERASE 110 KDA SUBUNIT, ...
Authors:Schimpl, M, Gundogdu, M, van Aalten, D.M.F.
Deposit date:2013-11-05
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Bisubstrate Udp-Peptide Conjugates as Human O-Glcnac Transferase Inhibitors.
Biochem.J., 457, 2014
2CBI
DownloadVisualize
BU of 2cbi by Molmil
Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase
Descriptor: CHLORIDE ION, GAMMA-BUTYROLACTONE, GLYCEROL, ...
Authors:Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F.
Deposit date:2006-01-04
Release date:2006-02-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis.
EMBO J., 25, 2006
2C1I
DownloadVisualize
BU of 2c1i by Molmil
Structure of Streptococcus pneumoniae peptidoglycan deacetylase (SpPgdA) D 275 N Mutant.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PEPTIDOGLYCAN GLCNAC DEACETYLASE, SULFATE ION, ...
Authors:Blair, D.E, Schuttelkopf, A.W, MacRae, J.I, van Aalten, D.M.F.
Deposit date:2005-09-15
Release date:2005-09-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
2BIY
DownloadVisualize
BU of 2biy by Molmil
Structure of PDK1-S241A mutant kinase domain
Descriptor: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Komander, D, Kular, G.S, Deak, M, Alessi, D.R, van Aalten, D.M.F.
Deposit date:2005-01-26
Release date:2005-02-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Role of T-loop phosphorylation in PDK1 activation, stability, and substrate binding.
J. Biol. Chem., 280, 2005
2CBJ
DownloadVisualize
BU of 2cbj by Molmil
Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase in complex with PUGNAc
Descriptor: CHLORIDE ION, HYALURONIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
Authors:Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F.
Deposit date:2006-01-05
Release date:2006-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis.
EMBO J., 25, 2006
2C1G
DownloadVisualize
BU of 2c1g by Molmil
Structure of Streptococcus pneumoniae peptidoglycan deacetylase (SpPgdA)
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, PEPTIDOGLYCAN GLCNAC DEACETYLASE, ...
Authors:Blair, D.E, Schuttelkopf, A.W, MacRae, J.I, van Aalten, D.M.F.
Deposit date:2005-09-14
Release date:2005-09-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
2DF3
DownloadVisualize
BU of 2df3 by Molmil
The structure of Siglec-7 in complex with alpha(2,3)/alpha(2,6) disialyl lactotetraosyl 2-(trimethylsilyl)ethyl
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-[N-acetyl-alpha-neuraminic acid-(2-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Attrill, H.
Deposit date:2006-02-23
Release date:2006-06-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The structure of siglec-7 in complex with sialosides: leads for rational structure-based inhibitor design
Biochem.J., 397, 2006
2VWI
DownloadVisualize
BU of 2vwi by Molmil
Structure of the OSR1 kinase, a hypertension drug target
Descriptor: GOLD ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Villa, F, Deak, M, Alessi, D.R, vanAalten, D.M.F.
Deposit date:2008-06-25
Release date:2008-07-08
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of the Osr1 Kinase, a Hypertension Drug Target.
Proteins, 73, 2008
1UNP
DownloadVisualize
BU of 1unp by Molmil
Crystal structure of the pleckstrin homology domain of PKB alpha
Descriptor: RAC-ALPHA SERINE/THREONINE KINASE
Authors:Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F.
Deposit date:2003-09-12
Release date:2004-09-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change.
Biochem. J., 375, 2003
2PE2
DownloadVisualize
BU of 2pe2 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 3-{5-[2-Oxo-5-ureido-1,2-dihydro-indol-(3Z)-ylidenemethyl]-1H-pyrrol-3-yl}-N-(2-piperidin-1-yl-ethyl)-benzamide COMPLEX
Descriptor: 3-[5-({5-[(AMINOCARBONYL)AMINO]-2-OXO-2H-INDOL-3-YL}METHYL)-1H-PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2007-04-01
Release date:2007-06-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: Optimization of BX-517.
Bioorg.Med.Chem.Lett., 17, 2007
2PE1
DownloadVisualize
BU of 2pe1 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) {2-Oxo-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-2,3-dihydro-1H-indol-5-yl}-urea {BX-517} COMPLEX
Descriptor: 1-{2-OXO-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-5-YL}UREA, 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2007-04-01
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
2PE0
DownloadVisualize
BU of 2pe0 by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1 (PDK1) 5-Hydroxy-3-[1-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-1,3-dihydro-indol-2-one COMPLEX
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 5-HYDROXY-3-[(1R)-1-(1H-PYRROL-2-YL)ETHYL]-2H-INDOL-2-ONE, GLYCEROL, ...
Authors:Whitlow, M, Adler, M.
Deposit date:2007-04-01
Release date:2007-06-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: Design, synthesis and biological activity.
Bioorg.Med.Chem.Lett., 17, 2007
5OAW
DownloadVisualize
BU of 5oaw by Molmil
Crystal structure of Aspergillus fumigatus N-acetylphosphoglucosamine mutase in complex with GlcNAc-6P and magnesium
Descriptor: 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Raimi, O.G, Hurtado-Guerrero, R.
Deposit date:2017-06-24
Release date:2018-07-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Evidence for substrate-assisted catalysis inN-acetylphosphoglucosamine mutase.
Biochem. J., 475, 2018
5OAT
DownloadVisualize
BU of 5oat by Molmil
PINK1 structure
Descriptor: MAGNESIUM ION, Serine/threonine-protein kinase PINK1, mitochondrial-like Protein
Authors:Kumar, A, Tamjar, J, Woodroof, H.I, Raimi, O.G, Waddell, A.Y, Peggie, M, Muqit, M.M.K, van Aalten, D.M.F.
Deposit date:2017-06-23
Release date:2017-10-11
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structure of PINK1 and mechanisms of Parkinson's disease associated mutations.
Elife, 6, 2017
5O9X
DownloadVisualize
BU of 5o9x by Molmil
Crystal structure of Aspergillus fumigatus N-acetylphosphoglucosamine mutate S69A in complex with glucose1,6bisphosphate
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ...
Authors:Raimi, O.G, Hurtado-Guerrero, R.
Deposit date:2017-06-20
Release date:2018-07-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evidence for substrate-assisted catalysis inN-acetylphosphoglucosamine mutase.
Biochem. J., 475, 2018
1W17
DownloadVisualize
BU of 1w17 by Molmil
Structure of Bacillus subtilis PdaA, a family 4 Carbohydrate esterase.
Descriptor: PROBABLE POLYSACCHARIDE DEACETYLASE PDAA
Authors:Blair, D.E, van Aalten, D.M.F.
Deposit date:2004-06-17
Release date:2005-01-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of Bacillus subtilis PdaA, a family 4 carbohydrate esterase, and a complex with N-acetyl-glucosamine.
FEBS Lett., 570, 2004

221051

건을2024-06-12부터공개중

PDB statisticsPDBj update infoContact PDBjnumon