8CQI
 
 | | Human heparanase in complex with inhibitor R3794 | | 分子名称: | (3~{S},4~{S})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 1,5-anhydro-D-arabinitol, ... | | 著者 | Moran, E.M, Davies, G.J, Chen, C, Nieuwendijk, E.V, Wu, L, Skoulikopoulou, F, Riet, V.V, Overkleeft, H.S, Armstrong, Z. | | 登録日 | 2023-03-06 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
J.Am.Chem.Soc., 146, 2024
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5OSS
 | | Beta-glucosidase from Thermotoga maritima in complex with Gluco-1H-imidazole | | 分子名称: | (4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol, 1,2-ETHANEDIOL, Beta-glucosidase A, ... | | 著者 | Offen, W.A, Schroeder, S.P, Davies, G.J, Overkleeft, H.S. | | 登録日 | 2017-08-18 | | 公開日 | 2018-04-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Gluco-1 H-imidazole: A New Class of Azole-Type beta-Glucosidase Inhibitor.
J. Am. Chem. Soc., 140, 2018
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1KYI
 | | HslUV (H. influenzae)-NLVS Vinyl Sulfone Inhibitor Complex | | 分子名称: | 4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent hsl protease ATP-binding subunit hslU, ... | | 著者 | Sousa, M.C, Kessler, B.M, Overkleeft, H.S, McKay, D.B. | | 登録日 | 2002-02-04 | | 公開日 | 2002-05-15 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Crystal Structure of HslUV Complexed with a Vinyl Sulfone Inhibitor:
Corroboration of a Proposed Mechanism of Allosteric Activation of
HslV by HslU
J.Mol.Biol., 318, 2002
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1OFI
 | | Asymmetric complex between HslV and I-domain deleted HslU (H. influenzae) | | 分子名称: | 4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE, ADENOSINE-5'-DIPHOSPHATE, ATP-DEPENDENT HSL PROTEASE ATP-BINDING SUBUNIT HSLU, ... | | 著者 | Kwon, A.R, Kessler, B.M, Overkleeft, H.S, McKay, D.B. | | 登録日 | 2003-04-14 | | 公開日 | 2003-07-03 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structure and Reactivity of an Asymmetric Complex between Hslv and I-Domain Deleted Hslu, a Prokaryotic Homolog of the Eukaryotic Proteasome
J.Mol.Biol., 330, 2003
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1OFH
 | | Asymmetric complex between HslV and I-domain deleted HslU (H. influenzae) | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ATP-DEPENDENT HSL PROTEASE ATP-BINDING SUBUNIT HSLU, ATP-DEPENDENT PROTEASE HSLV, ... | | 著者 | Kwon, A.R, Kessler, B.M, Overkleeft, H.S, McKay, D.B. | | 登録日 | 2003-04-14 | | 公開日 | 2003-07-03 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structure and Reactivity of an Asymmetric Complex between Hslv and I-Domain Deleted Hslu, a Prokaryotic Homolog of the Eukaryotic Proteasome
J.Mol.Biol., 330, 2003
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6ZBX
 | | Structure of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6- alpha-manno-cyclophellitol carbasugar-stabilised trisaccharide inhibitor | | 分子名称: | (1~{S},2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol, 1,2-ETHANEDIOL, ... | | 著者 | Schroeder, S, Offen, W.A, Jin, Y, De Boer, C, Enoterpi, J, Marino, L, van der Marel, G.A, Codee, J.D.C, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2020-06-09 | | 公開日 | 2021-04-28 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on alpha-1,6 Mannanases.
Chemistry, 27, 2021
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7DIF
 | | GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol at 1.75-angstrom resolution | | 分子名称: | (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, POTASSIUM ION, ... | | 著者 | Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S. | | 登録日 | 2020-11-19 | | 公開日 | 2021-01-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
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8RW3
 | | Crystal Structure of Agd31B, alpha-transglucosylase, complexed with a non-covalent 1,2- Cyclophellitol aziridine | | 分子名称: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, 1,2-ETHANEDIOL, OXALATE ION, ... | | 著者 | Moran, E, Davies, G, Ofamn, T, Heming, J, Nin-Hill, A, Kullmer, F, Steneker, R, Klein, A, Bennett, M, Ruijgrok, G, Kok, K, Aerts, J, Van der Marel, G, Rovira, C, Artola, M, Codee, J, Overkleeft, H. | | 登録日 | 2024-02-02 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition.
Chemistry, 30, 2024
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7NL5
 | | Structure of the catalytic domain of the Bacillus circulans alpha-1,6 Mannanase in complex with an alpha-1,6-alpha-manno-cyclophellitol trisaccharide inhibitor | | 分子名称: | (1R,2R,3R,4S,5R)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol, (1R,6S)-5beta-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol, Alpha-1,6-mannanase, ... | | 著者 | Schroeder, S, Offen, W.A, Males, A, Jin, Y, De Boer, C, Enotarpi, J, Marino, L, van der Marel, G.A, Florea, B.I, Codee, J.D.C, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2021-02-22 | | 公開日 | 2021-04-28 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Development of Non-Hydrolysable Oligosaccharide Activity-Based Inactivators for Endoglycanases: A Case Study on alpha-1,6 Mannanases.
Chemistry, 27, 2021
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8RVK
 | | Maltodextrin phosphorylase (MalP) in complex with a alpha-1,2-cyclophellitol analogue | | 分子名称: | (3~{a}~{R},4~{R},5~{R},6~{R},7~{a}~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-1,3-benzoxazol-2-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Bennett, M, Ofman, T.P, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2024-02-01 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition.
Chemistry, 30, 2024
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7BZL
 | | GH127 beta-L-arabinofuranosidase HypBA1 covalently complexed with beta-L-arabinofuranose-configured cyclophellitol | | 分子名称: | (1S,2S,3R,4R)-3-(hydroxymethyl)cyclopentane-1,2,4-triol, Non-reducing end beta-L-arabinofuranosidase, ZINC ION | | 著者 | Amaki, S, McGregor, N.G.S, Arakawa, T, Yamada, C, Borlandelli, V, Overkleeft, H.S, Davies, G.J, Fushinobu, S. | | 登録日 | 2020-04-28 | | 公開日 | 2021-01-27 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
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8CB1
 | | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with N-PNT-DNM 15 | | 分子名称: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[5-(phenanthren-9-ylmethoxy)pentyl]piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Sulzenbacher, G, Roig-Zamboni, V, Overkleeft, H, Artola, M. | | 登録日 | 2023-01-25 | | 公開日 | 2023-09-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases.
Chem Sci, 14, 2023
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8CB6
 | | Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in covalent complex with TAMRA tagged 1,6-Epi-cylcophellitol aziridine activity based probe | | 分子名称: | (1S,2R,3R,4R,5R)-5-[8-[4-(4-azanylbutyl)-1,2,3-triazol-1-yl]octylamino]-4-(hydroxymethyl)cyclohexane-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Sulzenbacher, G, Roig-Zamboni, V, Overkleeft, H, Artola, M. | | 登録日 | 2023-01-25 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fluorescence polarisation activity-based protein profiling for the identification of deoxynojirimycin-type inhibitors selective for lysosomal retaining alpha- and beta-glucosidases.
Chem Sci, 14, 2023
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9FT1
 | | Yeast 20S proteasome in complex with epoxyketone inhibitor 13 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | | 著者 | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | | 登録日 | 2024-06-23 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites
to be published
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9FST
 | | Yeast 20S proteasome with human beta1i (1-51) in complex with epoxyketone inhibitor LU-001i | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | | 登録日 | 2024-06-21 | | 公開日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites
To Be Published
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9FT0
 | | Yeast 20S proteasome in complex with epoxyketone inhibitor 42 | | 分子名称: | (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | | 登録日 | 2024-06-23 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites
to be published
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9FTR
 | | Drosophila golgi alpha-mannosidase II (dGMII) in complex with amide modified swainsonine-configured alkyl indolizidine | | 分子名称: | 1,2-ETHANEDIOL, Alpha-mannosidase 2, ZINC ION, ... | | 著者 | Bennett, M, Koemans, T, Overkleeft, H.S, Davies, G.J. | | 登録日 | 2024-06-25 | | 公開日 | 2024-10-09 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.14 Å) | | 主引用文献 | Structure-guided design of C3-branched swainsonine as potent and selective human Golgi alpha-mannosidase (GMII) inhibitor.
Chem.Commun.(Camb.), 60, 2024
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9FSV
 | | Yeast 20S proteasome with human beta2i (1-53) in complex with epoxyketone inhibitor 42 | | 分子名称: | (2S)-N-[(2S)-1-[[(1S)-2-cyclohexyl-1-[(2R,3S,6R,7S)-3-methanoyl-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepan-7-yl]ethyl]amino]-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]-2-(2-morpholin-4-ylethanoylamino)-4-oxidanyl-butanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | | 著者 | Maurits, E, Huber, E.M, Dekker, P.M, Wang, X, Heinemeyer, W, Florea, B.I, Groll, M, Overkleeft, H.S. | | 登録日 | 2024-06-22 | | 公開日 | 2024-07-17 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites
to be published
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4QLQ
 | | yCP in complex with tripeptidic epoxyketone inhibitor 8 | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, N-(morpholin-4-ylacetyl)-L-alanyl-N-[(2S,4R)-1-cyclohexyl-5-hydroxy-4-methyl-3-oxopentan-2-yl]-O-methyl-L-tyrosinamide, ... | | 著者 | De Bruin, G, Huber, E, Xin, B, Van Rooden, E, Al-Ayed, K, Kim, K, Kisselev, A, Driessen, C, Van der Marel, G, Groll, M, Overkleeft, H. | | 登録日 | 2014-06-13 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structure-based design of beta 1i or beta 5i specific inhibitors of human immunoproteasomes
J.Med.Chem., 57, 2014
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4INR
 | | Yeast 20S proteasome in complex with the vinyl sulfone LU102 | | 分子名称: | N3Phe-Leu-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ... | | 著者 | Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F. | | 登録日 | 2013-01-06 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56, 2013
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4INT
 | | Yeast 20S proteasome in complex with the vinyl sulfone LU122 | | 分子名称: | HMB-Val-Ser-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ... | | 著者 | Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F. | | 登録日 | 2013-01-06 | | 公開日 | 2013-01-30 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56, 2013
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4INU
 | | Yeast 20S proteasome in complex with the vinyl sulfone LU112 | | 分子名称: | N3Phe-Phe(4-NH2CH2)-Leu-Phe(4-NH2CH2)-methyl vinyl sulfone, bound form, Proteasome component C1, ... | | 著者 | Geurink, P.P, van der Linden, W.A, Mirabella, A.C, Gallastegui, N, de Bruin, G, Blom, A.E.M, Voges, M.J, Mock, E.D, Florea, B.I, van der Marel, G.A, Driessen, C, van der Stelt, M, Groll, M, Overkleeft, H.S, Kisselev, A.F. | | 登録日 | 2013-01-06 | | 公開日 | 2013-01-30 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Incorporation of Non-natural Amino Acids Improves Cell Permeability and Potency of Specific Inhibitors of Proteasome Trypsin-like Sites.
J.Med.Chem., 56, 2013
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6YQ7
 | | Taka-amylase | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-amylase, ... | | 著者 | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | 登録日 | 2020-04-16 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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6YQC
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol epoxide inhibitor | | 分子名称: | (1~{R},2~{S},4~{R},5~{S},6~{R})-6-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | 登録日 | 2020-04-16 | | 公開日 | 2021-02-10 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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6YQ9
 | | Taka-amylase in complex with alpha-glucosyl epi-cyclophellitol epoxide inhibitor | | 分子名称: | (1R,2R,3S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)cyclohexyl alpha-D-glucopyranoside, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Armstrong, Z, Chen, Y, Artola, M, Overkleeft, H, Davies, G. | | 登録日 | 2020-04-16 | | 公開日 | 2021-02-10 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Activity-Based Protein Profiling of Retaining alpha-Amylases in Complex Biological Samples.
J.Am.Chem.Soc., 143, 2021
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