8ADK
 
 | |
7QEA
 | | Crystal structure of fluorescein-di-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | | 分子名称: | (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid, ACETATE ION, SN243, ... | | 著者 | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | 登録日 | 2021-12-01 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
|
|
6HFZ
 | | Crystal structure of a two-domain esterase (CEX) active on acetylated mannans | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, GDSL-like protein | | 著者 | Michalak, L, La Rosa, S.L, Rohr, A.K, Aachmann, F.L, Westereng, B. | | 登録日 | 2018-08-22 | | 公開日 | 2019-09-11 | | 最終更新日 | 2020-04-08 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | A pair of esterases from a commensal gut bacterium remove acetylations from all positions on complex beta-mannans.
Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
7LYI
 | | Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3 | | 分子名称: | 3C-like proteinase, GLYCEROL, SODIUM ION, ... | | 著者 | Sacco, M, Wang, J, Chen, Y. | | 登録日 | 2021-03-07 | | 公開日 | 2021-03-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
|
|
6Y1I
 | |
6C9B
 | |
6Y0L
 | | Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N, R253G, S254G mutant | | 分子名称: | GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor membrane-bound form, SULFATE ION | | 著者 | Ilkow, V.F, Davies, A.M, Sutton, B.J, McDonnell, J.M. | | 登録日 | 2020-02-09 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Reviving lost binding sites: Exploring calcium-binding site transitions between human and murine CD23.
Febs Open Bio, 11, 2021
|
|
8APT
 | | Crystal Structure of H. influenzae TrmD in complex with Compound 13 | | 分子名称: | 6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide, CITRIC ACID, tRNA (guanine-N(1)-)-methyltransferase | | 著者 | Hall, G, Cowan, R, Carr, M.D. | | 登録日 | 2022-08-10 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Evaluating the druggability of TrmD, a potential antibacterial target, through design and microbiological profiling of a series of potent TrmD inhibitors.
Bioorg.Med.Chem.Lett., 90, 2023
|
|
7LCY
 | | Crystal structure of the ligand-free ARM domain from Drosophila SARM1 | | 分子名称: | Isoform B of NAD(+) hydrolase sarm1 | | 著者 | Gu, W, Nanson, J.D, Luo, Z, McGuinness, H.Y, Manik, M.K, Jia, X, Ve, T, Kobe, B. | | 登録日 | 2021-01-12 | | 公開日 | 2021-03-10 | | 最終更新日 | 2021-04-21 | | 実験手法 | X-RAY DIFFRACTION (3.35 Å) | | 主引用文献 | SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Neuron, 109, 2021
|
|
7LVL
 | | Dihydrodipicolinate synthase bound with allosteric inhibitor (S)-lysine from Candidatus Liberibacter solanacearum | | 分子名称: | 4-hydroxy-tetrahydrodipicolinate synthase, LYSINE | | 著者 | Gilkes, J.M, Frampton, R.A, Board, A.J, Sheen, C.R, Smith, G.R, Dobson, R.C.J.D. | | 登録日 | 2021-02-25 | | 公開日 | 2021-03-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Dihydrodipicolinate synthase bound with allosteric inhibitor (S)-lysine from Candidatus Liberibacter solanacearum
To Be Published
|
|
7QGT
 | | Crystal structure of human cystathionine beta-synthase (delta516-525) in complex with AOAA. | | 分子名称: | 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Hutchin, A, Kopec, J, Majtan, T, Zuhra, K, Szabo, C. | | 登録日 | 2021-12-10 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.691 Å) | | 主引用文献 | H 2 S biogenesis by cystathionine beta-synthase: mechanism of inhibition by aminooxyacetic acid and unexpected role of serine.
Cell.Mol.Life Sci., 79, 2022
|
|
5UTP
 | | Crystal structure of Burkholderia cenocepacia family 3 glycoside hydrolase (NagZ) bound to N-ethylbutyryl-PUGNAc | | 分子名称: | Beta-hexosaminidase, N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]-2-ethylbutanamide | | 著者 | Vadlamani, G, Mark, B.L. | | 登録日 | 2017-02-15 | | 公開日 | 2017-04-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Conformational flexibility of the glycosidase NagZ allows it to bind structurally diverse inhibitors to suppress beta-lactam antibiotic resistance.
Protein Sci., 26, 2017
|
|
8ADJ
 | | Poly(ADP-ribose) glycohydrolase (PARG) from Drosophila melanogaster in complex with PARG inhibitor PDD00017272 | | 分子名称: | 1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide, CHLORIDE ION, GLYCEROL, ... | | 著者 | Ariza, A, Fontana, P. | | 登録日 | 2022-07-08 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.508 Å) | | 主引用文献 | Serine ADP-ribosylation in Drosophila provides insights into the evolution of reversible ADP-ribosylation signalling.
Nat Commun, 14, 2023
|
|
6Y0M
 | | Crystal structure of human CD23 lectin domain N225D, K229E, S252N, T251N mutant | | 分子名称: | Low affinity immunoglobulin epsilon Fc receptor membrane-bound form | | 著者 | Ilkow, V.F, Davies, A.M, Sutton, B.J, McDonnell, J.M. | | 登録日 | 2020-02-09 | | 公開日 | 2021-06-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Reviving lost binding sites: Exploring calcium-binding site transitions between human and murine CD23.
Febs Open Bio, 11, 2021
|
|
6GCU
 | | MET receptor in complex with InlB internalin domain and DARPin A3A | | 分子名称: | DARPin A3A, Hepatocyte growth factor receptor, Internalin B | | 著者 | Meyer, T, Andres, F, Iamele, L, Gherardi, E, Pluckthun, A, Niemann, H.H. | | 登録日 | 2018-04-19 | | 公開日 | 2019-05-15 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (6.001 Å) | | 主引用文献 | Inhibition of the MET Kinase Activity and Cell Growth in MET-Addicted Cancer Cells by Bi-Paratopic Linking.
J.Mol.Biol., 431, 2019
|
|
5FYO
 | | Calcium-dependent phosphoinositol-specific phospholipase C from a Gram-negative bacterium, Pseudomonas sp, apo form, crystal form 1 | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, PHOSPHOINOSITOL-SPECIFIC PHOSPHOLIPASE C | | 著者 | Moroz, O.V, Blagova, E, Lebedev, A.A, Norgaard, A, Segura, D.R, Blicher, T.H, Wilson, K.S. | | 登録日 | 2016-03-08 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | The structure of a calcium-dependent phosphoinositide-specific phospholipase C from Pseudomonas sp. 62186, the first from a Gram-negative bacterium.
Acta Crystallogr D Struct Biol, 73, 2017
|
|
6QJD
 | |
7LCZ
 | | Crystal structure of the ARM domain from Drosophila SARM1 in complex with NMN | | 分子名称: | 1,2-ETHANEDIOL, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Isoform B of NAD(+) hydrolase sarm1, ... | | 著者 | Gu, W, Nanson, J.D, Luo, Z, Jia, X, Manik, M.K, Ve, T, Kobe, B. | | 登録日 | 2021-01-12 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Neuron, 109, 2021
|
|
7QH8
 | | CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE | | 分子名称: | GLYCEROL, LYSINE, Lysine--tRNA ligase 1 | | 著者 | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | | 登録日 | 2021-12-10 | | 公開日 | 2022-10-19 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
|
|
6CAC
 | | Crystal structure of NDM-1 metallo-beta-lactamase harboring an insertion of a Pro residue in L3 loop | | 分子名称: | CADMIUM ION, CALCIUM ION, COBALT (II) ION, ... | | 著者 | Alzari, P.M, Giannini, E, Palacios, A, Mojica, M, Bonomo, R, Llarrull, L, Vila, A. | | 登録日 | 2018-01-30 | | 公開日 | 2018-10-17 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | The Reaction Mechanism of Metallo-beta-Lactamases Is Tuned by the Conformation of an Active-Site Mobile Loop.
Antimicrob. Agents Chemother., 63, 2019
|
|
5G0C
 | | An unusual natural product primary sulfonamide: synthesis, carbonic anhydrase inhibition and protein x-ray structure of Psammaplin C | | 分子名称: | CARBONIC ANHYDRASE 2, ETHANOL, SODIUM ION, ... | | 著者 | Mujumdar, P, Supuran, C.T, Peat, T.S, Poulsen, S.A. | | 登録日 | 2016-03-17 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | An Unusual Natural Product Primary Sulfonamide: Synthesis, Carbonic Anhydrase Inhibition and Protein X-Ray Structures of Psammaplin C.
J.Med.Chem., 59, 2016
|
|
6HLO
 | | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Aprepitant | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, CITRIC ACID, ... | | 著者 | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | | 登録日 | 2018-09-11 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists.
Nat Commun, 10, 2019
|
|
8AOM
 | | Complex of PD-L1 with VHH1 | | 分子名称: | MAGNESIUM ION, Programmed cell death 1 ligand 1, VHH6 | | 著者 | Kang-Pettinger, T, Hall, G. | | 登録日 | 2022-08-08 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.202 Å) | | 主引用文献 | Identification, binding, and structural characterization of single domain anti-PD-L1 antibodies inhibitory of immune regulatory proteins PD-1 and CD80.
J.Biol.Chem., 299, 2023
|
|
6HGP
 | |
5FSR
 | | Crystal structure of penicillin binding protein 6B from Escherichia coli | | 分子名称: | D-ALANYL-D-ALANINE CARBOXYPEPTIDASE DACD | | 著者 | Peters, K, Kannan, S, Rao, V.A, Bilboy, J, Vollmer, D, Erickson, S.W, Lewis, R.J, Young, K.D, Vollmer, W. | | 登録日 | 2016-01-07 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The Redundancy of Peptidoglycan Carboxypeptidases Ensures Robust Cell Shape Maintenance in Escherichia Coli
Mbio, 7, 2016
|
|
