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6Z39
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BU of 6z39 by Molmil
Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY functionalised epoxide activity based probe
Descriptor: (1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2020-05-19
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents.
Chemistry, 27, 2021
6Z3I
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BU of 6z3i by Molmil
Structure of recombinant beta-glucocerebrosidase in complex with bifunctional cyclophellitol aziridine activity based probe
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2020-05-20
Release date:2021-06-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents.
Chemistry, 27, 2021
6TJK
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BU of 6tjk by Molmil
Crystal Structure of Recombinant GBA in Complex with Bis-Tris Propane.
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-11-26
Release date:2020-06-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
6TJJ
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BU of 6tjj by Molmil
Structure of Cerezyme at pH 4.6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-11-26
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
6TN1
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BU of 6tn1 by Molmil
Unliganded Crystal Structure of Recombinant GBA
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-12-05
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
6TJQ
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BU of 6tjq by Molmil
Crystal Structure of Recombinant GBA in Complex with 2-Deoxy-2-fluoro-beta-D-glucopyranoside
Descriptor: (2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-11-26
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
7P32
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BU of 7p32 by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 6
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G.
Deposit date:2021-07-06
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
J.Am.Chem.Soc., 144, 2022
7P2Z
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BU of 7p2z by Molmil
Crystal structure of human lysosomal acid-alpha-glucosidase, GAA, in complex with cyclosulfamidate 4
Descriptor: (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roig-Zamboni, V, Kok, K, Overkleeft, H, Artola, M, Sulzenbacher, G.
Deposit date:2021-07-06
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1,6- epi-Cyclophellitol Cyclosulfamidate Is a Bona Fide Lysosomal alpha-Glucosidase Stabilizer for the Treatment of Pompe Disease.
J.Am.Chem.Soc., 144, 2022
3K1R
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BU of 3k1r by Molmil
Structure of harmonin NPDZ1 in complex with the SAM-PBM of Sans
Descriptor: Harmonin, Usher syndrome type-1G protein
Authors:Pan, L, Yan, J, Zhang, M.
Deposit date:2009-09-28
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The structure of the harmonin/sans complex reveals an unexpected interaction mode of the two Usher syndrome proteins
Proc.Natl.Acad.Sci.USA, 107, 2010
6LGT
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BU of 6lgt by Molmil
Complex structure of HPPD with an inhibitor Y16542
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, ...
Authors:Lin, H.Y, Yang, W.C, Yang, G.F.
Deposit date:2019-12-05
Release date:2020-10-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Discovery of Novel Pyrazole-Quinazoline-2,4-dione Hybrids as 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors.
J.Agric.Food Chem., 68, 2020
6M1V
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BU of 6m1v by Molmil
Crystal structure of post fusion core of 2019-nCoV S2 subunit
Descriptor: Spike protein S2,Spike protein S2
Authors:Sun, H, Song, H, Wang, Q.
Deposit date:2020-02-26
Release date:2020-06-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of HCoV-19 fusion core and an effective inhibition peptide against virus entry.
Emerg Microbes Infect, 9, 2020
7WWH
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BU of 7wwh by Molmil
Crystal structure of the Geobacillus thermoglucosidasius feruloyl esterase GthFAE
Descriptor: Alpha/beta hydrolase
Authors:Yang, W, Wu, Y.
Deposit date:2022-02-12
Release date:2022-03-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-guided rational design of the Geobacillus thermoglucosidasius feruloyl esterase GthFAE to improve its thermostability.
Biochem.Biophys.Res.Commun., 600, 2022
7XP5
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BU of 7xp5 by Molmil
Cryo-EM structure of a class T GPCR in ligand-free state
Descriptor: Endoglucanase H,Taste receptor type 2 member 46,Bitter taste receptor T2R46, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, Z.J, Hua, T, Xu, W.X, Wu, L.J.
Deposit date:2022-05-03
Release date:2022-10-12
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Structural basis for strychnine activation of human bitter taste receptor TAS2R46.
Science, 377, 2022
7XP6
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BU of 7xp6 by Molmil
Cryo-EM structure of a class T GPCR in active state
Descriptor: Endoglucanase H,Taste receptor type 2 member 46,Endoglucanase H,Taste receptor type 2 member 46,Bitter taste receptor T2R46, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, Z.J, Hua, T, Xu, W.X, Wu, L.J.
Deposit date:2022-05-03
Release date:2022-10-12
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis for strychnine activation of human bitter taste receptor TAS2R46.
Science, 377, 2022
7XP4
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BU of 7xp4 by Molmil
Cryo-EM structure of a class T GPCR in apo state
Descriptor: Endoglucanase H,Taste receptor type 2 member 46,Endoglucanase H,Taste receptor type 2 member 46,Bitter taste receptor T2R46, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Liu, Z.J, Hua, T, Xu, W.X, Wu, L.J.
Deposit date:2022-05-03
Release date:2022-10-12
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural basis for strychnine activation of human bitter taste receptor TAS2R46.
Science, 377, 2022
7XK2
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BU of 7xk2 by Molmil
Cryo-EM Structure of Human Niacin Receptor HCA2-Gi protein complex
Descriptor: 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yang, Y, Kang, H.J, Gao, R.G, Wang, J.J, Han, G.W, DiBerto, J.F, Wu, L.J, Tong, J.H, Qu, L, Wu, Y.R, Pileski, R, Li, X.M, Zhang, X.C, Zhao, S.W, Kenakin, T, Wang, Q, Stevens, R.C, Peng, W, Roth, B.L, Rao, Z.H, Liu, Z.J.
Deposit date:2022-04-19
Release date:2023-02-22
Last modified:2023-12-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into the human niacin receptor HCA2-G i signalling complex.
Nat Commun, 14, 2023
5KQA
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BU of 5kqa by Molmil
Crystal structure of buckwheat glutaredoxin-glutathione complex
Descriptor: GLUTATHIONE, Glutaredoxin-glutathione complex
Authors:Zhang, X, Wang, W, Zhao, Y, Wang, Z, Wang, H.
Deposit date:2016-07-06
Release date:2017-07-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into the binding of buckwheat glutaredoxin with GSH and regulation of its catalytic activity
J. Inorg. Biochem., 173, 2017
5KQL
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BU of 5kql by Molmil
Co-crystal structure of LMW-PTP in complex with 2-oxo-1-phenyl-2-(phenylamino)ethanesulfonic acid
Descriptor: (1~{S})-2-oxidanylidene-1-phenyl-2-phenylazanyl-ethanesulfonic acid, Low molecular weight phosphotyrosine protein phosphatase
Authors:Wang, J, Zhang, Z.-Y, Yu, Z.-H.
Deposit date:2016-07-06
Release date:2016-10-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Inhibition of low molecular weight protein tyrosine phosphatase by an induced-fit mechanism.
J.Med.Chem., 2016
5KQP
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BU of 5kqp by Molmil
Crystal structure of Apo-form LMW-PTP
Descriptor: Low molecular weight phosphotyrosine protein phosphatase
Authors:Wang, J, Zhang, Z.-Y, Yu, Z.-H.
Deposit date:2016-07-06
Release date:2016-10-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Inhibition of low molecular weight protein tyrosine phosphatase by an induced-fit mechanism.
J.Med.Chem., 2016
5KQG
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BU of 5kqg by Molmil
Co-crystal structure of LMW-PTP in complex with 2-(benzothiazol-2-ylamino)-2-oxo-1-phenylethanesulfonic acid
Descriptor: (1~{S})-2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-1-phenyl-ethanesulfonic acid, Low molecular weight phosphotyrosine protein phosphatase
Authors:Wang, J, Zhang, Z.-Y, Yu, Z.-H.
Deposit date:2016-07-06
Release date:2016-10-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Inhibition of low molecular weight protein tyrosine phosphatase by an induced-fit mechanism.
J.Med.Chem., 2016
5KQM
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BU of 5kqm by Molmil
Co-crystal structure of LMW-PTP in complex with MES
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Low molecular weight phosphotyrosine protein phosphatase
Authors:Wang, J, Zhang, Z.-Y, Yu, Z.-H.
Deposit date:2016-07-06
Release date:2016-10-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Inhibition of low molecular weight protein tyrosine phosphatase by an induced-fit mechanism.
J.Med.Chem., 2016
7DT1
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BU of 7dt1 by Molmil
The structure of Lactobacillus fermentum 4,6-alpha-Glucanotransferase
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Yang, W.K, Yong, Y.H, Wu, L, Chen, S, Zhou, J.H, Wu, J.
Deposit date:2021-01-04
Release date:2022-01-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.43002272 Å)
Cite:Characterization of a new 4,6-alpha-glucanotransferase from Limosilactobacillus fermentum NCC 3057 with ability of synthesizing low molecular mass isomalto-/maltopolysaccharide
Food Biosci, 46, 2022
5LSH
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BU of 5lsh by Molmil
human lysozyme in complex with a tetrasaccharide fragment of the O-chain of LPS from Klebsiella pneumoniae
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:Zhang, R, Nifantiev, N.E, Krylov, V, Luetteke, T, Scheidig, A.J, Siebert, H.-C.
Deposit date:2016-08-26
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.061 Å)
Cite:Lysozyme's lectin-like characteristics facilitates its immune defense function.
Q. Rev. Biophys., 50, 2017
5WY0
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BU of 5wy0 by Molmil
Crystal structure of the methyltranferase domain of human HEN1 in complex with AdoMet
Descriptor: S-ADENOSYLMETHIONINE, Small RNA 2'-O-methyltransferase
Authors:Peng, L, Ma, J.B, Wu, L.G, Huang, Y.
Deposit date:2017-01-10
Release date:2018-01-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Identification of substrates of the small RNA methyltransferase Hen1 in mouse spermatogonial stem cells and analysis of its methyl-transfer domain
J. Biol. Chem., 293, 2018
4O5B
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BU of 4o5b by Molmil
HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid
Descriptor: (2S)-tert-butoxy[6-(5-chloro-1H-benzimidazol-2-yl)-2,5-dimethyl-4-phenylpyridin-3-yl]ethanoic acid, Integrase, SULFATE ION
Authors:Feng, L, Kvaratskhelia, M.
Deposit date:2013-12-19
Release date:2014-07-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:A New Class of Multimerization Selective Inhibitors of HIV-1 Integrase.
Plos Pathog., 10, 2014

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