Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
PDB: 98 件
1TQS
DownloadVisualize
BU of 1tqs by Molmil
Golgi alpha-Mannosidase II In Complex With Salacinol
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Ghavami, A, Johnston, B.D, Pinto, B.M, Rose, D.R.
登録日2004-06-18
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystallographic analysis of the interactions of Drosophila melanogaster Golgi alpha-mannosidase II with the naturally occurring glycomimetic salacinol and its analogues
Tetrahedron Asymmetry, 16, 2005
1TQU
DownloadVisualize
BU of 1tqu by Molmil
Golgi alpha-Mannosidase II In Complex With The Salacinol Analog Ghavamiol
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1'-((1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL)-4-N-AMMONIUM)-1'-DEOXY-L-ERYTHRITOL-3'-SULFATE INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Ghavami, A, Johnston, B.D, Pinto, B.M, Rose, D.R.
登録日2004-06-18
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Crystallographic analysis of the interactions of Drosophila melanogaster Golgi alpha-mannosidase II with the naturally occurring glycomimetic salacinol and its analogues
Tetrahedron Asymmetry, 16, 2005
1R34
DownloadVisualize
BU of 1r34 by Molmil
Golgi alpha-mannosidase II complex with 5-thio-D-mannopyranosylamidinium salt
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine, ...
著者Kuntz, D.A, Xin, W, Kavelekar, L.M, Rose, D.R, Pinto, B.M.
登録日2003-09-30
公開日2004-11-02
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献5-Thio-d-glycopyranosylamines and their amidinium salts as potential transition-state mimics of glycosyl hydrolases: synthesis, enzyme inhibitory activities, X-ray crystallography, and molecular modeling
TETRAHEDRON ASYMMETRY, 16, 2005
1TQT
DownloadVisualize
BU of 1tqt by Molmil
Golgi alpha-Mannosidase II In Complex With A Diastereomer of Salacinol
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Ghavami, A, Johnston, B.D, Pinto, B.M, Rose, D.R.
登録日2004-06-18
公開日2005-01-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystallographic analysis of the interactions of Drosophila melanogaster Golgi alpha-mannosidase II with the naturally occurring glycomimetic salacinol and its analogues
Tetrahedron Asymmetry, 16, 2005
1TQW
DownloadVisualize
BU of 1tqw by Molmil
Golgi alpha-Mannosidase II In Complex With A Diastereomer of Seleno-Salacinol
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-D-ARABINITOL INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Ghavami, A, Johnston, B.D, Pinto, B.M, Rose, D.R.
登録日2004-06-18
公開日2005-02-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Insights into the Mechanism of Drosophila melanogaster Golgi a-Mannosidase II Through Crystallographic Analysis of the Interactions with Analogues of the Naturally Occurring Glycomimetic Salacinol
TETRAHEDRON ASYMMETRY, 16, 2005
7LZQ
DownloadVisualize
BU of 7lzq by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-4425
分子名称: B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, N-(3-chloropyridin-4-yl)-2-(5-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-10
公開日2022-08-17
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7LZS
DownloadVisualize
BU of 7lzs by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-11029
分子名称: 3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide, B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-10
公開日2022-03-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7LZR
DownloadVisualize
BU of 7lzr by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-10256
分子名称: B-cell lymphoma 6 protein, CHLORIDE ION, GLYCEROL, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-10
公開日2022-03-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Crystal structure of the BCL6 BTB domain in complex with OICR-10256
To Be Published
7LWE
DownloadVisualize
BU of 7lwe by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-7629
分子名称: ACETATE ION, B-cell lymphoma 6 protein, CHLORIDE ION, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-01
公開日2022-03-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7LWG
DownloadVisualize
BU of 7lwg by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-12694
分子名称: 5-{(5S)-1-[2-({3-chloro-6-[(2S)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1H-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide, B-cell lymphoma 6 protein, GLYCEROL, ...
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-01
公開日2022-03-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
7LWF
DownloadVisualize
BU of 7lwf by Molmil
Crystal structure of the BCL6 BTB domain in complex with OICR-9320
分子名称: B-cell lymphoma 6 protein, GLYCEROL, N-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide
著者Kuntz, D.A, Prive, G.G.
登録日2021-03-01
公開日2022-03-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
2ALW
DownloadVisualize
BU of 2alw by Molmil
Golgi alpha-mannosidase II complex with Noeuromycin
分子名称: (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Bols, M.B, Liu, H, Rose, D.R.
登録日2005-08-08
公開日2006-07-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献The role of the active site Zn in the catalytic mechanism of the GH38 Golgi alpha-mannosidase II: implications from noeuromycin inhibition
Biocatal.Biotransfor., 34, 2006
2F7O
DownloadVisualize
BU of 2f7o by Molmil
Golgi alpha-mannosidase II complex with mannostatin A
分子名称: (1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Rose, D.R.
登録日2005-12-01
公開日2006-07-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Structural Basis of the Inhibition of Golgi alpha-Mannosidase II by Mannostatin A and the Role of the Thiomethyl Moiety in Ligand-Protein Interactions.
J.Am.Chem.Soc., 128, 2006
2F7Q
DownloadVisualize
BU of 2f7q by Molmil
Golgi alpha-mannosidase II complex with aminocyclopentitetrol
分子名称: (1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-1,2,3,4-TETROL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Rose, D.R.
登録日2005-12-01
公開日2006-12-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Golgi alpha-mannosidase II complex with aminocyclopentitetrol
To be Published
2F1A
DownloadVisualize
BU of 2f1a by Molmil
GOLGI ALPHA-MANNOSIDASE II COMPLEX WITH (2R,3R,4S)-2-({[(1S)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
分子名称: (2R,3R,4S)-2-({[(1S)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-3,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Rose, D.R.
登録日2005-11-14
公開日2006-12-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Evaluation of docking programs for predicting binding of Golgi alpha-mannosidase II inhibitors: a comparison with crystallography.
Proteins, 69, 2007
2F7P
DownloadVisualize
BU of 2f7p by Molmil
Golgi alpha-mannosidase II complex with benzyl-mannostatin A
分子名称: (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Rose, D.R.
登録日2005-12-01
公開日2006-07-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Structural Basis of the Inhibition of Golgi alpha-Mannosidase II by Mannostatin A and the Role of the Thiomethyl Moiety in Ligand-Protein Interactions.
J.Am.Chem.Soc., 128, 2006
2F1B
DownloadVisualize
BU of 2f1b by Molmil
GOLGI ALPHA-MANNOSIDASE II COMPLEX WITH (2R,3R,4S,5R)-2-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)-5-methylpyrrolidine-3,4-diol
分子名称: (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-3,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Rose, D.R.
登録日2005-11-14
公開日2006-12-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Evaluation of docking programs for predicting binding of Golgi alpha-mannosidase II inhibitors: a comparison with crystallography.
Proteins, 69, 2007
2F18
DownloadVisualize
BU of 2f18 by Molmil
GOLGI ALPHA-MANNOSIDASE II complex with (2R,3R,4S)-2-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidine-3,4-diol
分子名称: (2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-3,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Rose, D.R.
登録日2005-11-14
公開日2006-12-05
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Evaluation of docking programs for predicting binding of Golgi alpha-mannosidase II inhibitors: a comparison with crystallography.
Proteins, 69, 2007
2F7R
DownloadVisualize
BU of 2f7r by Molmil
Golgi alpha-mannosidase II complex with benzyl-aminocyclopentitetrol
分子名称: (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-1,2,3,4-TETROL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Rose, D.R.
登録日2005-12-01
公開日2006-12-12
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Golgi alpha-mannosidase II complex with benzyl-aminocyclopentitetrol
To be Published
7K9R
DownloadVisualize
BU of 7k9r by Molmil
Cryptococcus neoformans Hsp90 nucleotide binding domain
分子名称: CHLORIDE ION, Hsp90-like protein
著者Kuntz, D.A, Kenney, T, Prive, G.G.
登録日2020-09-29
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
7K9W
DownloadVisualize
BU of 7k9w by Molmil
Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00461
分子名称: (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-5-yl]amino}phenyl)methanone, BENZAMIDINE, CHLORIDE ION, ...
著者Kuntz, D.A, Prive, G.G.
登録日2020-09-29
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
7K9S
DownloadVisualize
BU of 7k9s by Molmil
Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with NVP-AUY922
分子名称: 5-[2,4-DIHYDROXY-5-(1-METHYLETHYL)PHENYL]-N-ETHYL-4-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]ISOXAZOLE-3-CARBOXAMIDE, Hsp90-like protein
著者Kuntz, D.A, Prive, G.G.
登録日2020-09-29
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.21 Å)
主引用文献Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
7K9V
DownloadVisualize
BU of 7k9v by Molmil
Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00452
分子名称: (1,3-dihydro-2H-isoindol-2-yl)(2,4-dihydroxy-6-{[1-methyl-3-(2-methylphenyl)-1H-pyrazol-5-yl]amino}phenyl)methanone, BENZAMIDINE, CHLORIDE ION, ...
著者Kuntz, D.A, Prive, G.G.
登録日2020-09-29
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
7K9U
DownloadVisualize
BU of 7k9u by Molmil
Cryptococcus neoformans Hsp90 nucleotide binding domain in complex with BUCMD00429
分子名称: (5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl){2,4-dihydroxy-6-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)amino]phenyl}methanone, Hsp90-like protein
著者Kuntz, D.A, Prive, G.G.
登録日2020-09-29
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Fungal-Selective Resorcylate Aminopyrazole Hsp90 Inhibitors: Optimization of Whole-Cell Anticryptococcal Activity and Insights into the Structural Origins of Cryptococcal Selectivity.
J.Med.Chem., 64, 2021
3DDF
DownloadVisualize
BU of 3ddf by Molmil
GOLGI MANNOSIDASE II complex with (3R,4R,5R)-3,4-Dihydroxy-5-({[(1R)-2-hydroxy-1 phenylethyl]amino}methyl) pyrrolidin-2-one
分子名称: (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)-2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin-2-one, (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ...
著者Kuntz, D.A, Rose, D.R, Hoffman, D.
登録日2008-06-05
公開日2008-07-01
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Functionalized pyrrolidine inhibitors of human type II alpha-mannosidases as anti-cancer agents: optimizing the fit to the active site
Bioorg.Med.Chem., 16, 2008

221051

件を2024-06-12に公開中

PDB statisticsPDBj update infoContact PDBjnumon