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PDB: 173 件

2JLB
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Xanthomonas campestris putative OGT (XCC0866), complex with UDP- GlcNAc phosphonate analogue
分子名称: CHLORIDE ION, MANGANESE (II) ION, URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE, ...
著者Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F.
登録日2008-09-07
公開日2008-11-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase.
Embo J., 27, 2008
1O7S
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High resolution structure of Siglec-7
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, ...
著者Alphey, M.S, Attrill, H, Crocker, P.R, Van Aalten, D.M.F.
登録日2002-11-12
公開日2003-03-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献High Resolution Structures of Siglec-7 - Insights Into Ligand Specificity in the Siglec Family
J.Biol.Chem., 278, 2003
1OKY
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Structure of human PDK1 kinase domain in complex with staurosporine
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, STAUROSPORINE, ...
著者Komander, D, Kular, G.S, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-08-01
公開日2004-07-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for Ucn-01 (7-Hydroxystaurosporine) Specificity and Pdk1 (3-Phosphoinositide-Dependent Protein Kinase-1) Inhibition
Biochem.J., 375, 2003
1OKZ
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Structure of human PDK1 kinase domain in complex with UCN-01
分子名称: 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, 7-HYDROXYSTAUROSPORINE, GLYCEROL, ...
著者Komander, D, Kular, G.S, Alessi, D.R, Van Aalten, D.M.F.
登録日2003-08-01
公開日2004-07-29
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural Basis for Ucn-01 (7-Hydroxystaurosporine) Specificity and Pdk1 (3-Phosphoinositide-Dependent Protein Kinase-1) Inhibition
Biochem.J., 375, 2003
3CHE
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BU of 3che by Molmil
Crystal structure of Aspergillus fumigatus chitinase B1 in complex with tripeptide
分子名称: Chitinase, Peptide inhibitor, 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 (2.05 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
3CH9
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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
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
3CHD
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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
1UR8
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Interactions of a family 18 chitinase with the designed inhibitor HM508, and its degradation product, chitobiono-delta-lactone
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHITINASE B, GLYCEROL, ...
著者Vaaje-Kolstad, G, Vasella, A, Peter, M.G, Netter, C, Houston, D.R, Westereng, B, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
登録日2003-10-27
公開日2004-04-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interactions of a Family 18 Chitinase with the Designed Inhibitor Hm508 and its Degradation Product, Chitobiono-Delta-Lactone.
J.Biol.Chem., 279, 2004
1UR9
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BU of 1ur9 by Molmil
Interactions of a family 18 chitinase with the designed inhibitor HM508, and its degradation product, chitobiono-delta-lactone
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHITINASE B, GLYCEROL, ...
著者Vaaje-Kolstad, G, Vasella, A, Peter, M.G, Netter, C, Houston, D.R, Westereng, B, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
登録日2003-10-27
公開日2004-04-27
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interactions of a Family 18 Chitinase with the Designed Inhibitor Hm508 and its Degradation Product, Chitobiono-Delta-Lactone.
J.Biol.Chem., 279, 2004
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
5NPR
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The human O-GlcNAc transferase in complex with a thiol-linked bisubstrate inhibitor
分子名称: POTASSIUM ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate, ...
著者Rafie, K, van Aalten, D.M.F.
登録日2017-04-18
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Thio-Linked UDP-Peptide Conjugates as O-GlcNAc Transferase Inhibitors.
Bioconjug. Chem., 29, 2018
5OXD
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BU of 5oxd by Molmil
Complex of a C. perfringens O-GlcNAcase with a fragment hit
分子名称: 5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine, CADMIUM ION, O-GlcNAcase NagJ
著者Rafie, K, van Aalten, D.M.F.
登録日2017-09-06
公開日2018-05-16
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献O-GlcNAcase Fragment Discovery with Fluorescence Polarimetry.
ACS Chem. Biol., 13, 2018
1GOI
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BU of 1goi by Molmil
Crystal structure of the D140N mutant of chitinase B from Serratia marcescens at 1.45 A resolution
分子名称: CHITINASE B, GLYCEROL, SULFATE ION
著者Kolstad, G, Synstad, B, Eijsink, V.G.H, Van Aalten, D.M.F.
登録日2001-10-21
公開日2001-11-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure of the D140N Mutant of Chitinase B from Serratia Marcescens at 1.45 A Resolution.
Acta Crystallogr.,Sect.D, 58, 2002
2VKI
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BU of 2vki by Molmil
Structure of the PDK1 PH domain K465E mutant
分子名称: 3-PHOPSHOINOSITIDE DEPENDENT PROTEIN KINASE 1, GLYCEROL, SULFATE ION
著者Komander, D, Bayascas, J.R, Deak, M, Alessi, D.R, van Aalten, D.M.F.
登録日2007-12-19
公開日2008-05-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Mutation of the Pdk1 Ph Domain Inhibits Protein Kinase B/Akt, Leading to Small Size and Insulin Resistance.
Mol.Cell.Biol., 28, 2008
2J62
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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
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
4AY1
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Human YKL-39 is a pseudo-chitinase with retained chitooligosaccharide binding properties
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHITINASE-3-LIKE PROTEIN 2
著者Schimpl, M, Rush, C.L, Betou, M, Eggleston, I.M, Penman, G.A, Recklies, A.D, van Aalten, D.M.F.
登録日2012-06-17
公開日2012-08-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Human Ykl-39 is a Pseudo-Chitinase with Retained Chitooligosaccharide-Binding Properties.
Biochem.J., 446, 2012
4AY5
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Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GTAB1TIDE, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYL TRANSFERASE 110 KDA SUBUNIT, ...
著者Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F.
登録日2012-06-18
公開日2012-10-24
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis
Nat.Chem.Biol., 8, 2012
4AY6
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Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide
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, SULFATE ION, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1, ...
著者Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F.
登録日2012-06-18
公開日2012-10-24
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis
Nat.Chem.Biol., 8, 2012
4BHU
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Crystal structure of BslA - A bacterial hydrophobin
分子名称: CHLORIDE ION, GLYCEROL, UNCHARACTERIZED PROTEIN YUAB
著者Rao, F.V, Hobley, L, Ostrowski, A, Bromley, K.M, Porter, M, Prescott, A.R, Swedlow, J.R, MacPhee, C.E, van Aalten, D.M.F, Stanley-Wall, N.R.
登録日2013-04-08
公開日2013-08-14
最終更新日2013-08-28
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Bsla is a Self-Assembling Bacterial Hydrophobin that Coats the Bacillus Subtilis Biofilm.
Proc.Natl.Acad.Sci.USA, 110, 2013
4BJU
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Genetic and structural validation of Aspergillus fumigatus N- acetylphosphoglucosamine mutase as an antifungal target
分子名称: MAGNESIUM ION, N-ACETYLGLUCOSAMINE-PHOSPHATE MUTASE
著者Fang, W, Raimi, O.G, Hurtado Guerrero, R, van Aalten, D.M.F.
登録日2013-04-19
公開日2013-05-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Genetic and Structural Validation of Aspergillus Fumigatus N-Acetylphosphoglucosamine Mutase as an Antifungal Target.
Biosci.Rep, 33, 2013
4CAV
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Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a benzofuran ligand R0-09-4879
分子名称: 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine, CHLORIDE ION, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ...
著者Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F.
登録日2013-10-09
公開日2014-09-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
4BOJ
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Crystal structure of Bacillus circulans TN-31 Aman6 in complex with mannobiose
分子名称: ALPHA-1,6-MANNANASE, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose
著者Striebeck, A, van Aalten, D.M.F.
登録日2013-05-21
公開日2014-05-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.379 Å)
主引用文献The Structure of B. Circulans Aman6 Defines the Fold and Mechanism of the Gh-76 Mannoprotein Transglycosylases and Bacterial Mannosidases
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