8EI5
 
 | | Crystal structure of the WWP2 HECT domain in complex with H301, a Helicon Polypeptide | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, H301, ... | | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | | Deposit date: | 2022-09-14 | | Release date: | 2023-10-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
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8EI7
 | | Crystal structure of the WWP2 HECT domain in complex with H304, a Helicon Polypeptide | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | | Deposit date: | 2022-09-14 | | Release date: | 2023-10-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides.
Nat Commun, 14, 2023
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6VZB
 | | Crystal structure of cytochrome P450 NasF5053 S284A-V288A mutant variant from Streptomyces sp. NRRL F-5053 in the cyclo-L-Trp-L-Pro-bound state | | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, PROTOPORPHYRIN IX CONTAINING FE, SODIUM ION, ... | | Authors: | Luo, Z, Jia, X, Sun, C, Qu, X, Kobe, B. | | Deposit date: | 2020-02-28 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Molecular basis of regio- and stereo-specificity in biosynthesis of bacterial heterodimeric diketopiperazines.
Nat Commun, 11, 2020
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7OEJ
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ090 | | Descriptor: | 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-05-03 | | Release date: | 2021-10-20 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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7OK2
 | | Crystal structure of Pseudomonas aeruginosa LpxA in complex with compound 3 | | Descriptor: | Acyl-[acyl-carrier-protein]-UDP-N-acetylglucosamine O-acyltransferase, SULFATE ION, ~{N}-[(5-azanyl-1,3,4-oxadiazol-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-~{N}-[(4-cyanophenyl)methyl]ethanamide | | Authors: | Ryan, M.D, Parkes, A.L, Southey, M, Andersen, O.A, Zahn, M, Barker, J, DeJonge, B.L.M. | | Deposit date: | 2021-05-17 | | Release date: | 2021-10-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Discovery of Novel UDP- N -Acetylglucosamine Acyltransferase (LpxA) Inhibitors with Activity against Pseudomonas aeruginosa .
J.Med.Chem., 64, 2021
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8TF2
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7OEH
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ059b | | Descriptor: | 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3S)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-05-03 | | Release date: | 2021-10-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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8YBC
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6FZO
 | | SMURFP-Y56F mutant | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | | Authors: | Janowski, R, Fuenzalida-Wernera, J.P, Mishra, K, Vetschera, P, Weidenfeld, I, Richter, K, Niessing, D, Ntziachristos, V, Stiel, A.C. | | Deposit date: | 2018-03-15 | | Release date: | 2018-10-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of a biliverdin-bound phycobiliprotein: Interdependence of oligomerization and chromophorylation.
J. Struct. Biol., 204, 2018
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8CA7
 | | Omadacycline and spectinomycin bound to the 30S ribosomal subunit head | | Descriptor: | 16S rRNA, 30S ribosomal protein S7, MAGNESIUM ION, ... | | Authors: | Paternoga, H, Crowe-McAuliffe, C, Wilson, D.N. | | Deposit date: | 2023-01-24 | | Release date: | 2023-08-02 | | Last modified: | 2023-09-20 | | Method: | ELECTRON MICROSCOPY (2.06 Å) | | Cite: | Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
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8EKD
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7B6J
 | | Crystal structure of MurE from E.coli in complex with minifrag succinimide | | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase, ... | | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-07 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal structure of MurE from E.coli
To Be Published
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6FPD
 | | AB21 protein from Agaricus bisporus | | Descriptor: | 1,2-ETHANEDIOL, Protein AB21, SODIUM ION | | Authors: | Houser, J, Demo, G, Komarek, J, Wimmerova, M. | | Deposit date: | 2018-02-09 | | Release date: | 2018-05-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and properties of AB21, a novel Agaricus bisporus protein with structural relation to bacterial pore-forming toxins.
Proteins, 86, 2018
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7OJC
 | | SaFtsZ(Q48A) complexed with GDP | | Descriptor: | 1,2-ETHANEDIOL, Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Fernandez-Tornero, C, Ruiz, F.M, Andreu, J.M. | | Deposit date: | 2021-05-14 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | FtsZ filament structures in different nucleotide states reveal the mechanism of assembly dynamics.
Plos Biol., 20, 2022
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8RPL
 | | AMP-forming acetyl-CoA synthetase from Chloroflexota bacterium with bound acetyl AMP | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Acetate--CoA ligase, MAGNESIUM ION, ... | | Authors: | Striska, K, Palm, G.J, Lammers, M. | | Deposit date: | 2024-01-16 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Acetyl-CoA synthetase activity is enzymatically regulated by lysine acetylation using acetyl-CoA or acetyl-phosphate as donor molecule.
Nat Commun, 15, 2024
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7QPA
 | | Outward-facing auxin bound form of auxin transporter PIN8 | | Descriptor: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1H-INDOL-3-YLACETIC ACID, Auxin efflux carrier component 8 | | Authors: | Ung, K.L, Winkler, M.B.L, Dedic, E, Stokes, D.L, Pedersen, B.P. | | Deposit date: | 2022-01-03 | | Release date: | 2022-07-06 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.18 Å) | | Cite: | Structures and mechanism of the plant PIN-FORMED auxin transporter.
Nature, 609, 2022
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6Y5P
 | | RING-DTC domain of Deltex1 bound to NAD | | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase DTX1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Gabrielsen, M, Buetow, L, Huang, D.T. | | Deposit date: | 2020-02-25 | | Release date: | 2020-09-30 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural insights into ADP-ribosylation of ubiquitin by Deltex family E3 ubiquitin ligases.
Sci Adv, 6, 2020
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7QP9
 | | Outward-facing apo-form of auxin transporter PIN8 | | Descriptor: | 1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Auxin efflux carrier component 8 | | Authors: | Ung, K.L, Winkler, M.B.L, Dedic, E, Stokes, D.L, Pedersen, B.P. | | Deposit date: | 2022-01-03 | | Release date: | 2022-07-06 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.89 Å) | | Cite: | Structures and mechanism of the plant PIN-FORMED auxin transporter.
Nature, 609, 2022
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7OFI
 | | Ligand complex of RORg LBD | | Descriptor: | (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-~{N}'-methyl-butanediamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | | Authors: | Xue, Y, Aagaard, A, Narjes, F. | | Deposit date: | 2021-05-05 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.953 Å) | | Cite: | AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.
J.Med.Chem., 64, 2021
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9JVA
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8YMF
 | | BRD4-BD1 in complex with 7-[2-(cyclopropylmethoxy)phenyl]-5-methyl-2-[(1-methylsulfonyl-4-piperidyl)methyl]pyrazolo[4,3-c]pyridin-4-one | | Descriptor: | 7-[2-(cyclopropylmethoxy)phenyl]-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[4,3-c]pyridin-4-one, Bromodomain-containing protein 4 | | Authors: | Sasaki, C, Miyaguchi, I, Hagihara, S, Ishizawa, K, Endo, J. | | Deposit date: | 2024-03-09 | | Release date: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (1.015 Å) | | Cite: | Discovery of a potent, orally available pyrazolopyridone derivative as a novel selective BET BD1 Inhibitor (Part 2).
To Be Published
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9JWC
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8VH8
 | | Crystal structure of heparosan synthase 2 from Pasteurella multocida at 2.85 A | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Pedersen, L.C, Liu, J, Stancanelli, E, krahn, J.M. | | Deposit date: | 2023-12-31 | | Release date: | 2024-09-04 | | Last modified: | 2025-03-12 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural and Functional Analysis of Heparosan Synthase 2 from Pasteurella multocida (PmHS2) to Improve the Synthesis of Heparin.
Acs Catalysis, 14, 2024
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8YPZ
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8YQ0
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