7C39
 
 | | Crystal structure of AofleA from Arthrobotrys oligospora in complex with methylated L-fucose | | Descriptor: | AoflcA, CITRIC ACID, GLYCEROL, ... | | Authors: | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | | Deposit date: | 2020-05-11 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
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7CU2
 | | CRYSTAL STRUCTURE OF STREPTOMYCES ALBOGRISEOLUS FLAVIN-DEPENDENT TRYPTOPHAN 6-HALOGENASE THAL IN COMPLEX WITH REDUCED FAD | | Descriptor: | DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, Tryptophan 6-halogenase | | Authors: | Chitnumsub, P, Jaruwat, A, Phintha, A, Chaiyen, P. | | Deposit date: | 2020-08-20 | | Release date: | 2020-11-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Dissecting the low catalytic capability of flavin-dependent halogenases.
J.Biol.Chem., 296, 2020
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7UAB
 | | Human pro-meprin alpha (zymogen state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C. | | Deposit date: | 2022-03-12 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor.
Nat Commun, 13, 2022
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7UAC
 | | Human pro-meprin alpha (zymogen state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Meprin A subunit alpha, ... | | Authors: | Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C. | | Deposit date: | 2022-03-12 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor.
Nat Commun, 13, 2022
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7UAE
 | | Human meprin alpha (active state) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C. | | Deposit date: | 2022-03-12 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor.
Nat Commun, 13, 2022
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7UAI
 | | Meprin alpha helix in complex with fetuin-B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | | Authors: | Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C. | | Deposit date: | 2022-03-13 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor.
Nat Commun, 13, 2022
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8H7Z
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6W2E
 | | Structures of Capsid and Capsid-Associated Tegument Complex inside the Epstein-Barr Virus | | Descriptor: | Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ... | | Authors: | Liu, W, Cui, Y.X, Wang, C.Y, Li, Z.H, Gong, D.Y, Dai, X.H, Bi, G.Q, Sun, R, Zhou, Z.H. | | Deposit date: | 2020-03-05 | | Release date: | 2020-07-15 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Structures of capsid and capsid-associated tegument complex inside the Epstein-Barr virus.
Nat Microbiol, 5, 2020
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7UAF
 | | Human meprin alpha inhibitory complex with compound 10d (N~3~,N~3~-bis[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-beta-alaninamide) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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, ... | | Authors: | Bayly-Jones, C, Lupton, C.J, Fritz, C, Schlenzig, D, Whisstock, J.C. | | Deposit date: | 2022-03-12 | | Release date: | 2022-11-02 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Helical ultrastructure of the metalloprotease meprin alpha in complex with a small molecule inhibitor.
Nat Commun, 13, 2022
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8H7L
 | | Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7535 fab heavt chain, ... | | Authors: | Liu, Z, Yan, A, Gao, Y. | | Deposit date: | 2022-10-20 | | Release date: | 2023-08-30 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
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6QBA
 | | Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand A1120 and engineered binding scaffold | | Descriptor: | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Mlynek, G, Brey, C.U, Djinovic-Carugo, K, Puehringer, D. | | Deposit date: | 2018-12-20 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A conformation-specific ON-switch for controlling CAR T cells with an orally available drug.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7C3D
 | | Crystal structure of AofleA from Arthrobotrys oligospora in complex with D-arabinose | | Descriptor: | AofleA, GLYCEROL, alpha-D-arabinopyranose, ... | | Authors: | Liu, M, Cheng, X, Wang, J, Zhang, M, Wang, M. | | Deposit date: | 2020-05-12 | | Release date: | 2020-07-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.596 Å) | | Cite: | Structural insights into the fungi-nematodes interaction mediated by fucose-specific lectin AofleA from Arthrobotrys oligospora.
Int.J.Biol.Macromol., 164, 2020
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7UJC
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7UJ8
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7UJO
 | | Estrogen Receptor Alpha Ligand Binding Domain in Complex with RU39411 | | Descriptor: | (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol, Estrogen receptor, MAGNESIUM ION | | Authors: | Hosfield, D.J, Greene, G.L, Fanning, S.W. | | Deposit date: | 2022-03-31 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.449 Å) | | Cite: | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
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7UJF
 | | Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative with Selective Estrogen Receptor Degrader Properties | | Descriptor: | (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | | Authors: | Hosfield, D.J, Greene, G.L, Fanning, S.W. | | Deposit date: | 2022-03-30 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
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7UJY
 | | Estrogen receptor alpha ligand binding domain Y537S mutant in complex with a methylated lasofoxifene derivative that enhances estrogen receptor alpha nuclear resonance time | | Descriptor: | (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | | Authors: | Hosfield, D.J, Greene, G.L, Fanning, S.W. | | Deposit date: | 2022-03-31 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
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6YV3
 | | Structure of recombinant human beta-glucocerebrosidase in complex with galacto-configured cyclophellitol aziridine inhibitor | | Descriptor: | (1S,2S,3S,4S,5R,6R)-5-amino-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rowland, R.J, Davies, G.J. | | Deposit date: | 2020-04-27 | | Release date: | 2021-05-12 | | 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
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7UJW
 | | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with a Methylated Lasofoxifene Derivative that Possesses Selective Estrogen Receptor Degrader Activities | | Descriptor: | (5R,6S)-5-(4-{2-[(3S)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | | Authors: | Hosfield, D.J, Greene, G.L, Fanning, S.W. | | Deposit date: | 2022-03-31 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
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6PY0
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7UJM
 | | Estrogen Receptor Alpha Ligand Binding Domain in Complex with a Methylated Lasofoxifene Derivative That Increases Receptor Resonance Time in the Nucleus of Breast Cancer Cells | | Descriptor: | (5R,6S)-5-(4-{2-[(2R)-2-methylpyrrolidin-1-yl]ethoxy}phenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol, Estrogen receptor | | Authors: | Hosfield, D.J, Greene, G.L, Fanning, S.W. | | Deposit date: | 2022-03-31 | | Release date: | 2022-06-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Stereospecific lasofoxifene derivatives reveal the interplay between estrogen receptor alpha stability and antagonistic activity in ESR1 mutant breast cancer cells.
Elife, 11, 2022
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6YTP
 | | Structure of recombinant human beta-glucocerebrosidase in complex with azide tagged cyclophellitol epoxide inhibitor | | Descriptor: | (1~{S},2~{R},3~{R},4~{S},5~{S})-4-[[($l^{5}-azanylidyne-$l^{5}-azanyl)amino]methyl]cyclohexane-1,2,3,5-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rowland, R.J, Davies, G.J. | | Deposit date: | 2020-04-24 | | Release date: | 2021-05-12 | | 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
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6YTR
 | | Structure of recombinant human beta-glucocerebrosidase in complex with cyclophellitol aziridine inhibitor | | Descriptor: | (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rowland, R.J, Davies, G.J. | | Deposit date: | 2020-04-24 | | Release date: | 2021-05-12 | | 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
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6YUT
 | | Structure of recombinant human beta-glucocerebrosidase in complex with N-acyl functionalised cyclophellitol aziridine | | 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: | Rowland, R.J, Davies, G.J. | | Deposit date: | 2020-04-27 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Design, Synthesis and Structural Analysis of Glucocerebrosidase Imaging Agents.
Chemistry, 27, 2021
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6Q1P
 | | Glucocerebrosidase in complex with pharmacological chaperone norIMX8 | | Descriptor: | (2S,3S,4S,5R)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Vickers, C, Withers, S.G, Boraston, A.B. | | Deposit date: | 2019-08-05 | | Release date: | 2020-08-19 | | Method: | X-RAY DIFFRACTION (2.796 Å) | | Cite: | Pharmacological chaperones for GCase that switch conformation with pH enhance enzyme levels in Gaucher animal models.
To Be Published
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