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5C1D
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BU of 5c1d by Molmil
Human OGT in complex with UDP-5S-GlcNAc and substrate peptide (RB2L)
分子名称: (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, PHOSPHATE ION, Retinoblastoma-like protein 2, ...
著者Schimpl, M, Rafie, K, van Aalten, D.M.F.
登録日2015-06-13
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献The active site of O-GlcNAc transferase imposes constraints on substrate sequence.
Nat.Struct.Mol.Biol., 22, 2015
3GNI
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BU of 3gni by Molmil
Structure of STRAD and MO25
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CITRIC ACID, Protein Mo25, ...
著者Zeqiraj, E, Goldie, S, Alessi, D.R, van Aalten, D.M.F.
登録日2009-03-17
公開日2009-06-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献ATP and MO25alpha regulate the conformational state of the STRADalpha pseudokinase and activation of the LKB1 tumour suppressor
Plos Biol., 7, 2009
1HNU
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BU of 1hnu by Molmil
CRYSTAL STRUCTURE OF PEROXISOMAL DELTA3-DELTA2-ENOYL-COA ISOMERASE FROM SACCHAROMYCES CEREVISIAE
分子名称: 1,2-ETHANEDIOL, D3,D2-ENOYL COA ISOMERASE ECI1, PERRHENATE
著者Mursula, A.M, van Aalten, D.M.F, Hiltunen, J.K, Wierenga, R.K.
登録日2000-12-08
公開日2001-06-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The crystal structure of delta(3)-delta(2)-enoyl-CoA isomerase.
J.Mol.Biol., 309, 2001
1HNO
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BU of 1hno by Molmil
CRYSTAL STRUCTURE OF PEROXISOMAL DELTA3-DELTA2-ENOYL-COA ISOMERASE FROM SACCHAROMYCES CEREVISIAE
分子名称: 1,2-ETHANEDIOL, D3,D2-ENOYL COA ISOMERASE ECI1
著者Mursula, A.M, van Aalten, D.M.F, Hiltunen, J.K, Wierenga, R.K.
登録日2000-12-08
公開日2001-06-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of delta(3)-delta(2)-enoyl-CoA isomerase.
J.Mol.Biol., 309, 2001
3CHD
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BU of 3chd by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with dipeptide
分子名称: (2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid, Chitinase, SULFATE ION
著者Andersen, O.A, van Aalten, D.M.F.
登録日2008-03-09
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
3CHC
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BU of 3chc by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with monopeptide
分子名称: (2S)-2-acetamido-N-methyl-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanamide, Chitinase, SULFATE ION
著者Andersen, O.A, van Aalten, D.M.F.
登録日2008-03-09
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
3CHF
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Crystal structure of Aspergillus fumigatus chitinase B1 in complex with tetrapeptide
分子名称: Argifin, Chitinase, SULFATE ION
著者Andersen, O.A, van Aalten, D.M.F.
登録日2008-03-09
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
3CH9
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BU of 3ch9 by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with dimethylguanylurea
分子名称: 1-methyl-3-(N-methylcarbamimidoyl)urea, Chitinase, SULFATE ION
著者Andersen, O.A, van Aalten, D.M.F.
登録日2008-03-09
公開日2008-03-25
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Chem.Biol., 15, 2008
2A3A
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BU of 2a3a by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with theophylline
分子名称: SULFATE ION, THEOPHYLLINE, chitinase
著者Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F.
登録日2005-06-24
公開日2005-09-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
2A3C
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Crystal structure of Aspergillus fumigatus chitinase B1 in complex with pentoxifylline
分子名称: 3,7-DIMETHYL-1-(5-OXOHEXYL)-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, SULFATE ION, chitinase
著者Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F.
登録日2005-06-24
公開日2005-09-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
2A3E
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BU of 2a3e by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with allosamidin
分子名称: 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, SULFATE ION, ...
著者Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F.
登録日2005-06-24
公開日2005-09-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
2A3B
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BU of 2a3b by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with caffeine
分子名称: CAFFEINE, SULFATE ION, chitinase
著者Rao, F.V, Andersen, O.A, Vora, K.A, DeMartino, J.A, van Aalten, D.M.F.
登録日2005-06-24
公開日2005-09-27
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes.
Chem.Biol., 12, 2005
1O6I
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BU of 1o6i by Molmil
Chitinase B from Serratia marcescens complexed with the catalytic intermediate mimic cyclic dipeptide CI4.
分子名称: Chitinase, GLYCEROL, SULFATE ION, ...
著者Houston, D.R, Eggleston, I, Synstad, B, Eijsink, V.G.H, van Aalten, D.M.F.
登録日2002-10-03
公開日2003-03-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The cyclic dipeptide CI-4 [cyclo-(l-Arg-d-Pro)] inhibits family 18 chitinases by structural mimicry of a reaction intermediate.
Biochem. J., 368, 2002
5OAT
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BU of 5oat by Molmil
PINK1 structure
分子名称: MAGNESIUM ION, Serine/threonine-protein kinase PINK1, mitochondrial-like Protein
著者Kumar, A, Tamjar, J, Woodroof, H.I, Raimi, O.G, Waddell, A.Y, Peggie, M, Muqit, M.M.K, van Aalten, D.M.F.
登録日2017-06-23
公開日2017-10-11
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Structure of PINK1 and mechanisms of Parkinson's disease associated mutations.
Elife, 6, 2017
2J62
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BU of 2j62 by Molmil
Structure of a bacterial O-glcnacase in complex with glcnacstatin
分子名称: CHLORIDE ION, N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE, O-GlcNAcase NagJ
著者Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Shepherd, S.M, Shpiro, N.A, van Aalten, D.M.F.
登録日2006-09-22
公開日2007-02-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献GlcNAcstatin: a picomolar, selective O-GlcNAcase inhibitor that modulates intracellular O-glcNAcylation levels.
J. Am. Chem. Soc., 128, 2006
1IKT
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BU of 1ikt by Molmil
LIGANDED STEROL CARRIER PROTEIN TYPE 2 (SCP-2) LIKE DOMAIN OF HUMAN MULTIFUNCTIONAL ENZYME TYPE 2 (MFE-2)
分子名称: ESTRADIOL 17 BETA-DEHYDROGENASE 4, OXTOXYNOL-10, SULFATE ION
著者Haapalainen, A.M, van Aalten, D.M.F, Glumoff, T.
登録日2001-05-07
公開日2001-11-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of the liganded SCP-2-like domain of human peroxisomal multifunctional enzyme type 2 at 1.75 A resolution.
J.Mol.Biol., 313, 2001
1H9G
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FadR, FATTY ACID RESPONSIVE TRANSCRIPTION FACTOR FROM E. COLI, in complex with myristoyl-CoA
分子名称: COENZYME A, FATTY ACID METABOLISM REGULATOR PROTEIN, MYRISTIC ACID
著者Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J.
登録日2001-03-09
公開日2001-03-09
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Structural Basis of Acyl Coenzyme A-Dependent Regulation of the Transcription Factor Fadr
Embo J., 20, 2001
1H9T
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BU of 1h9t by Molmil
FADR, FATTY ACID RESPONSIVE TRANSCRIPTION FACTOR FROM E. COLI IN COMPLEX WITH FADB OPERATOR
分子名称: 5'-D(*CP*AP*TP*CP*TP*GP*GP*TP*AP*CP*GP*AP* CP*CP*AP*GP*AP*TP*C)-3', 5'-D(*GP*AP*TP*CP*TP*GP*GP*TP*CP*GP*TP*AP* CP*CP*AP*GP*AP*TP*G)-3', CHLORIDE ION, ...
著者Van Aalten, D.M.F, Dirusso, C.C, Knudsen, J.
登録日2001-03-19
公開日2001-04-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献The Structural Basis of Acyl Coenzyme A-Dependent Regulation of the Transcription Factor Fadr
Embo J., 20, 2001
1UNP
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BU of 1unp by Molmil
Crystal structure of the pleckstrin homology domain of PKB alpha
分子名称: RAC-ALPHA SERINE/THREONINE KINASE
著者Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F.
登録日2003-09-12
公開日2004-09-16
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change.
Biochem. J., 375, 2003
1O7V
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BU of 1o7v by Molmil
High resolution structure of Siglec-7
分子名称: 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
著者Alphey, M.S, Attrill, H, Crocker, P.R, Van Aalten, D.M.F.
登録日2002-11-14
公開日2003-03-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High resolution crystal structures of Siglec-7. Insights into ligand specificity in the Siglec family.
J.Biol.Chem., 278, 2003
2CBI
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Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase
分子名称: CHLORIDE ION, GAMMA-BUTYROLACTONE, GLYCEROL, ...
著者Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F.
登録日2006-01-04
公開日2006-02-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis.
EMBO J., 25, 2006
2C1I
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Structure of Streptococcus pneumoniae peptidoglycan deacetylase (SpPgdA) D 275 N Mutant.
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PEPTIDOGLYCAN GLCNAC DEACETYLASE, SULFATE ION, ...
著者Blair, D.E, Schuttelkopf, A.W, MacRae, J.I, van Aalten, D.M.F.
登録日2005-09-15
公開日2005-09-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005
2BIY
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Structure of PDK1-S241A mutant kinase domain
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Komander, D, Kular, G.S, Deak, M, Alessi, D.R, van Aalten, D.M.F.
登録日2005-01-26
公開日2005-02-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Role of T-loop phosphorylation in PDK1 activation, stability, and substrate binding.
J. Biol. Chem., 280, 2005
2CBJ
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Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase in complex with PUGNAc
分子名称: CHLORIDE ION, HYALURONIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
著者Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F.
登録日2006-01-05
公開日2006-02-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis.
EMBO J., 25, 2006
2C1G
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Structure of Streptococcus pneumoniae peptidoglycan deacetylase (SpPgdA)
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, PEPTIDOGLYCAN GLCNAC DEACETYLASE, ...
著者Blair, D.E, Schuttelkopf, A.W, MacRae, J.I, van Aalten, D.M.F.
登録日2005-09-14
公開日2005-09-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and metal-dependent mechanism of peptidoglycan deacetylase, a streptococcal virulence factor.
Proc. Natl. Acad. Sci. U.S.A., 102, 2005

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