8BCI
 
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8BAD
 | | Tpp80Aa1 | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Binary toxin A-like protein, CALCIUM ION, ... | | Authors: | Best, H.L, Williamson, L.J, Rizkallah, P.J, Berry, C, Lloyd-Evans, E. | | Deposit date: | 2022-10-11 | | Release date: | 2022-12-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | The Crystal Structure of Bacillus thuringiensis Tpp80Aa1 and Its Interaction with Galactose-Containing Glycolipids.
Toxins, 14, 2022
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6TQG
 | | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Glucose-1-phosphate thymidylyltransferase, ... | | Authors: | Alphey, M.S, Xiao, G, Westwood, J.N. | | Deposit date: | 2019-12-16 | | Release date: | 2020-08-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Next generation Glucose-1-phosphate thymidylyltransferase (RmlA) inhibitors: An extended SAR study to direct future design.
Bioorg.Med.Chem., 50, 2021
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8AUC
 | | Structure of peptidoglycan hydrolase Cg1735 from Corynebacterium glutamicum, trigonal crystal form | | Descriptor: | Cell wall-associated hydrolases (Invasion-associated proteins), TETRACHLOROPLATINATE(II) | | Authors: | Gaday, Q, Wehenkel, A.M, Alzari, P.M, Legrand, P. | | Deposit date: | 2022-08-25 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | FtsEX-independent control of RipA-mediated cell separation in Corynebacteriales.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8BDO
 | | VCB in complex with compound 21 | | Descriptor: | (2~{S},4~{R})-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-~{N}-[4-(4-methyl-1,3-thiazol-5-yl)phenoxy]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | Deposit date: | 2022-10-19 | | Release date: | 2023-02-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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8BEB
 | | Ternary complex between VCB, BRD4-BD1 and PROTAC 49 | | Descriptor: | (2~{S},4~{R})-~{N}-[(1~{S})-3-[4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]butylamino]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3-oxidanylidene-propyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | Deposit date: | 2022-10-21 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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8BDX
 | | Ternary complex between VCB, BRD4-BD2 and PROTAC 48 | | Descriptor: | (2S,4R)-N-[(1S)-1-(4-chlorophenyl)-3-[2-[2-[2-[2-[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8$l^{5},11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxidanylidene-propyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Elongin-B, ... | | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | Deposit date: | 2022-10-20 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.93 Å) | | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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8BDL
 | | VCB in complex with compound 27 | | Descriptor: | (2~{S},4~{R})-~{N}-[(1~{S})-1-[2-(2-methoxyethoxy)-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | Deposit date: | 2022-10-19 | | Release date: | 2023-02-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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8BDJ
 | | VCB in complex with compound 30 | | Descriptor: | (2~{S},4~{R})-~{N}-[(1~{S})-1-[4-chloranyl-2-(2-methoxyethoxy)phenyl]ethyl]-1-[(2~{R})-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Elongin-B, Elongin-C, ... | | Authors: | Sorrell, F.J, Mueller, J.E, Lehmann, M, Wegener, A. | | Deposit date: | 2022-10-19 | | Release date: | 2023-02-15 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Systematic Potency and Property Assessment of VHL Ligands and Implications on PROTAC Design.
Chemmedchem, 18, 2023
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9K7D
 | | Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant E256Q in complex with Maltohexaose | | Descriptor: | Glycoside hydrolase family 57 N-terminal domain-containing protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F. | | Deposit date: | 2024-10-23 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The crystal structure of GH57 family amylopullulanase reveals its dual binding pockets sharing the same catalytic dyad.
Commun Biol, 8, 2025
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9KYQ
 | | GH57 family amylopullulanase from Aquifex aeolicus wild type co-crystallize with gama-cyclodextrin | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Zhu, Z.M, Wang, W.W, Yu, F, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S. | | Deposit date: | 2024-12-09 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus.
J.Struct.Biol., 217, 2025
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9JLW
 | | Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant D352N in complex with maltoheptaose | | Descriptor: | GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F. | | Deposit date: | 2024-09-19 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | High-Temperature Crystallization Method for the GH57 Family Hyperthermophilic Amylopullulanase from Aquifex aeolicus
Cryst.Growth Des., 24, 2024
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9JLU
 | | GH57 family amylopullulanase from Aquifex aeolicus D352N mutant complex with beta-cyclodextrin | | Descriptor: | Cycloheptakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein | | Authors: | Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F. | | Deposit date: | 2024-09-19 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus.
J.Struct.Biol., 217, 2025
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9JLR
 | | Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant E256Q in complex with maltopentaose | | Descriptor: | Glycoside hydrolase family 57 N-terminal domain-containing protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F. | | Deposit date: | 2024-09-19 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | High-Temperature Crystallization Method for the GH57 Family Hyperthermophilic Amylopullulanase from Aquifex aeolicus
Cryst.Growth Des., 24, 2024
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9JLS
 | | Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus wild type in complex with acarbose | | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Glycoside hydrolase family 57 N-terminal domain-containing protein | | Authors: | Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F. | | Deposit date: | 2024-09-19 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | High-Temperature Crystallization Method for the GH57 Family Hyperthermophilic Amylopullulanase from Aquifex aeolicus
Cryst.Growth Des., 24, 2024
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7QVL
 | | OESTROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH COMPOUND 38 | | Descriptor: | (2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid, Estrogen receptor | | Authors: | Breed, J. | | Deposit date: | 2022-01-21 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists.
J.Med.Chem., 66, 2023
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4V4Y
 | | Crystal structure of the 70S Thermus thermophilus ribosome with translocated and rotated Shine-Dalgarno Duplex. | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Jenner, L, Yusupova, G, Rees, B, Moras, D, Yusupov, M. | | Deposit date: | 2006-06-27 | | Release date: | 2014-07-09 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (5.5 Å) | | Cite: | Structural basis for messenger RNA movement on the ribosome.
Nature, 444, 2006
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9KYP
 | | GH57 family amylopullulanase from Aquifex aeolicus wild type complex with beta-cyclodextrin | | Descriptor: | 1,2-ETHANEDIOL, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zhu, Z.M, Wang, W.W, Yu, F, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S. | | Deposit date: | 2024-12-09 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus.
J.Struct.Biol., 217, 2025
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7R1M
 | | Crystal structure of ExsFA, a Bacillus cereus spore exosporium protein | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Exosporium protein, ... | | Authors: | Brear, P, Schack, S, Christie, G. | | Deposit date: | 2022-02-03 | | Release date: | 2023-02-15 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of ExsFA, a Bacillus cereus spore exosporium protein"
To Be Published
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9JLV
 | | Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant E256Q in complex with alpha-cyclodextrin | | Descriptor: | CITRATE ANION, Cyclohexakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, ... | | Authors: | Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F. | | Deposit date: | 2024-09-19 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus.
J.Struct.Biol., 217, 2025
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9JLT
 | | GH57 family amylopullulanase D352N mutant from Aquifex aeolicus complex with alpha-cyclodextrin | | Descriptor: | Cyclohexakis-(1-4)-(alpha-D-glucopyranose), GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein | | Authors: | Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F. | | Deposit date: | 2024-09-19 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus.
J.Struct.Biol., 217, 2025
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9K7C
 | | Crystal structure of GH57 family amylopullulanase from Aquifex aeolicus mutant E256Q in complex with maltopentaose | | Descriptor: | GLYCEROL, Glycoside hydrolase family 57 N-terminal domain-containing protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Zhu, Z.M, Wang, W.W, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S, Yu, F. | | Deposit date: | 2024-10-23 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The crystal structure of GH57 family amylopullulanase reveals its dual binding pockets sharing the same catalytic dyad.
Commun Biol, 8, 2025
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9KYR
 | | GH57 family amylopullulanase from Aquifex aeolicus D352N mutant complex with gama-cyclodextrin | | Descriptor: | 1,2-ETHANEDIOL, Cyclooctakis-(1-4)-(alpha-D-glucopyranose), DI(HYDROXYETHYL)ETHER, ... | | Authors: | Zhu, Z.M, Wang, W.W, Yu, F, Li, M.J, Xu, Q, Zhou, H, Huang, L.Q, Wang, Q.S. | | Deposit date: | 2024-12-09 | | Release date: | 2025-06-04 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Mechanistic insights into cyclodextrins as substrates and inhibitors of GH57 family amylopullulanase from Aquifex aeolicus.
J.Struct.Biol., 217, 2025
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9JK4
 | | putative E2P of TMEM94 | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endoplasmic reticulum magnesium-transporting P-type ATPase | | Authors: | Gong, D.S. | | Deposit date: | 2024-09-15 | | Release date: | 2025-06-11 | | Method: | ELECTRON MICROSCOPY (2.82 Å) | | Cite: | Structural analysis of full-length human transmembrane protein 94 argues against its classification as a P-type Mg 2+ ATPase.
Cell Discov, 11, 2025
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7R29
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