8VBW
 
 | | Structure of the monofunctional Staphylococcus aureus PBP1 in its beta-lactam (Ertapenem) inhibited form | | 分子名称: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Penicillin-binding protein 1 | | 著者 | Bon, C.G, Lee, J, Caveney, N.A, Strynadka, N.C.J. | | 登録日 | 2023-12-12 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and kinetic analysis of the monofunctional Staphylococcus aureus PBP1.
J.Struct.Biol., 216, 2024
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8VXC
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8TZ2
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8UPS
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 5 | | 分子名称: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION | | 著者 | Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J. | | 登録日 | 2023-10-23 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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6RGK
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-055 | | 分子名称: | 3-[5-[(4~{a}~{R},8~{a}~{S})-3-cycloheptyl-4-oxidanylidene-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-butyl-prop-2-ynamide, FORMIC ACID, GLYCEROL, ... | | 著者 | Singh, A.K, Brown, D.G. | | 登録日 | 2019-04-16 | | 公開日 | 2019-07-24 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2).
Bioorg.Med.Chem., 27, 2019
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9EPM
 | | Mpro from SARS-CoV-2 with 4A mutation | | 分子名称: | Non-structural protein 11 | | 著者 | Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. | | 登録日 | 2024-03-19 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.981 Å) | | 主引用文献 | SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
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6ITG
 | | a new alginate lyase (PL6) from Vibrio splendidus OU02 | | 分子名称: | Alginate lyase, GLYCEROL, MALONATE ION | | 著者 | Liu, W.Z, Lyu, Q.Q. | | 登録日 | 2018-11-23 | | 公開日 | 2019-05-01 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Structural insights into a novel Ca2+-independent PL-6 alginate lyase from Vibrio OU02 identify the possible subsites responsible for product distribution.
Biochim Biophys Acta Gen Subj, 1863, 2019
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8TZA
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9EWM
 | | Mpro from SARS-CoV-2 with R4Q R298Q double mutations | | 分子名称: | Non-structural protein 11 | | 著者 | Plewka, J, Lis, K, Chykunova, Y, Czarna, A, Kantyka, T, Pyrc, K. | | 登録日 | 2024-04-04 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
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9EUS
 | | Mpro from SARS-CoV-2 with R298A mutation | | 分子名称: | GLYCEROL, Replicase polyprotein 1a | | 著者 | Plewka, J, Lis, K, Czarna, A, Pyrc, K, Kantyka, T, Chykunova, Y. | | 登録日 | 2024-03-28 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | SARS-CoV-2 M pro oligomerization as a potential target for therapy.
Int.J.Biol.Macromol., 267, 2024
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9EO0
 | | Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 | | 分子名称: | Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide | | 著者 | Plewka, J, Hec, A, Sitar, T, Holak, T. | | 登録日 | 2024-03-14 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction.
Acs Med.Chem.Lett., 15, 2024
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8TZ7
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9B34
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8WFL
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8ZBE
 | | cryo-EM structure of the octreotide-bound SSTR5-Gi complex | | 分子名称: | Beta-2 adrenergic receptor,Somatostatin receptor type 5,lgbit (fusion protein), Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | 著者 | Li, Y.G, Meng, X.Y, Yang, X.R, Ling, S.L, Shi, P, Tian, C.L, Yang, F. | | 登録日 | 2024-04-26 | | 公開日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | | 主引用文献 | Structural insights into somatostatin receptor 5 bound with cyclic peptides.
Acta Pharmacol.Sin., 2024
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8UP6
 | | Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K19A) in complex with L-Asp | | 分子名称: | ASPARTIC ACID, Asparaginase, TETRAETHYLENE GLYCOL | | 著者 | Lubkowski, J, Wlodawer, A, Zhang, D. | | 登録日 | 2023-10-21 | | 公開日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | RrA, an enzyme from Rhodospirillum rubrum, is a prototype of a new family of short-chain L-asparaginases.
Protein Sci., 33, 2024
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8VBV
 | | Structure of the monofunctional Staphylococcus aureus PBP1 in its beta-lactam (Cephalexin) inhibited form | | 分子名称: | (2S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein 1 | | 著者 | Bon, C.G, Lee, J, Caveney, N.A, Strynadka, N.C.J. | | 登録日 | 2023-12-12 | | 公開日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural and kinetic analysis of the monofunctional Staphylococcus aureus PBP1.
J.Struct.Biol., 216, 2024
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3ECA
 | | CRYSTAL STRUCTURE OF ESCHERICHIA COLI L-ASPARAGINASE, AN ENZYME USED IN CANCER THERAPY (ELSPAR) | | 分子名称: | ASPARTIC ACID, L-asparaginase 2 | | 著者 | Swain, A.L, Jaskolski, M, Housset, D, Rao, J.K.M, Wlodawer, A. | | 登録日 | 1993-07-02 | | 公開日 | 1993-10-31 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of Escherichia coli L-asparaginase, an enzyme used in cancer therapy.
Proc.Natl.Acad.Sci.USA, 90, 1993
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8V96
 | | GII.14 M7 norovirus protruding domain | | 分子名称: | 1,2-ETHANEDIOL, Capsid protein VP1 | | 著者 | Kher, G, Prewitt, A, Pancera, M, Hansman, G. | | 登録日 | 2023-12-07 | | 公開日 | 2024-06-19 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | | 主引用文献 | Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 2024
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8TZD
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8XAR
 | | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with SAM and Compound 54 | | 分子名称: | 1,2-ETHANEDIOL, 7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-c]quinolin-4-one, CHLORIDE ION, ... | | 著者 | Zheng, J.Y, Zhang, G.P, Li, J.J, Tong, S.L. | | 登録日 | 2023-12-05 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Structure-Based Design and Optimization of Methionine Adenosyltransferase 2A (MAT2A) Inhibitors with High Selectivity, Brain Penetration, and In Vivo Efficacy.
J.Med.Chem., 67, 2024
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8X3S
 | | Crystal structure of human WDR5 in complex with PTEN | | 分子名称: | Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN, WD repeat-containing protein 5 | | 著者 | Liu, Y, Huang, X, Shang, X. | | 登録日 | 2023-11-14 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | The NTE domain of PTEN alpha / beta promotes cancer progression by interacting with WDR5 via its SSSRRSS motif.
Cell Death Dis, 15, 2024
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8UUH
 | | SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199 | | 分子名称: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | | 登録日 | 2023-11-01 | | 公開日 | 2024-04-03 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model.
Science, 383, 2024
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9PTI
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8UZH
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