6XOO
 
 | | DCN1 bound to DI-1859 | | 分子名称: | Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | 著者 | Stuckey, J.A. | | 登録日 | 2020-07-07 | | 公開日 | 2021-06-02 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
|
|
4WHZ
 | |
6XOL
 | | DCN1 bound to DI-1548 | | 分子名称: | Lysozyme, DCN1-like protein 1 chimera, N-{(1S)-1-cyclohexyl-2-[(2-methylpropanoyl)amino]ethyl}-N~2~-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alaninamide | | 著者 | Stuckey, J.A. | | 登録日 | 2020-07-07 | | 公開日 | 2021-06-02 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | Selective inhibition of cullin 3 neddylation through covalent targeting DCN1 protects mice from acetaminophen-induced liver toxicity.
Nat Commun, 12, 2021
|
|
6XAI
 | | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) | | 分子名称: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, NzeB, ... | | 著者 | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | | 登録日 | 2020-06-04 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.489 Å) | | 主引用文献 | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
|
|
6XAK
 | | Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) and cyclo-(L-Trp-L-Trp) | | 分子名称: | (3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione, (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, ... | | 著者 | Shende, V.V, Khatri, Y, Newmister, S.A, Sanders, J.N, Lindovska, P, Yu, F, Doyon, T.J, Kim, J, Movassaghi, M, Houk, K.N, Sherman, D.H. | | 登録日 | 2020-06-04 | | 公開日 | 2021-06-09 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.479 Å) | | 主引用文献 | Structure and Function of NzeB, a Versatile C-C and C-N Bond-Forming Diketopiperazine Dimerase.
J.Am.Chem.Soc., 142, 2020
|
|
8ERR
 | |
8UAR
 | | Rhodococcus ruber Alcohol Dehydrogenase NADH Biomimetic Complex - Compound 4b | | 分子名称: | 1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide, CITRIC ACID, ISOPROPYL ALCOHOL, ... | | 著者 | Wilson, L.A, Schenk, G, Guddat, L.W, Scott, C. | | 登録日 | 2023-09-22 | | 公開日 | 2024-07-03 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | Structural Characterization of Enzymatic Interactions with Functional Nicotinamide Cofactor Biomimetics
Catalysts, 14, 2024
|
|
6O7Q
 | |
6XIN
 | | The crystal structure of tryptophan synthase from Salmonella enterica serovar typhimurium in complex with (2S)-3-Amino-3-imino-2-phenyldiazenylpropanamide at the enzyme alpha-site. | | 分子名称: | (2R,3Z)-3-amino-3-imino-2-[(E)-phenyldiazenyl]propanamide, 1,2-ETHANEDIOL, CESIUM ION, ... | | 著者 | Hilario, E, Chang, C, Mueller, L.J, Dunn, M.F, Fan, L. | | 登録日 | 2020-06-20 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | The crystal structure of tryptophan synthase from Salmonella enterica serovar typhimurium in complex with (2S)-3-Amino-3-imino-2-phenyldiazenylpropanamide at the enzyme alpha-site.
To Be Published
|
|
7NCU
 | |
7NC8
 | |
6XL4
 | | EGFR(T790M/V948R) in complex with AZD9291 and DDC4002 | | 分子名称: | 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one, Epidermal growth factor receptor, MAGNESIUM ION, ... | | 著者 | Heppner, D.E, Beyett, T.S, Eck, M.J. | | 登録日 | 2020-06-28 | | 公開日 | 2021-06-30 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Molecular basis for cooperative binding and synergy of ATP-site and allosteric EGFR inhibitors.
Nat Commun, 13, 2022
|
|
7NCE
 | |
7NCO
 | | Glutathione-S-transferase GliG mutant K127R | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Glutathione S-transferase GliG | | 著者 | Groll, M, Huber, E.M. | | 登録日 | 2021-01-29 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural and Mechanistic Insights into C-S Bond Formation in Gliotoxin.
Angew.Chem.Int.Ed.Engl., 60, 2021
|
|
8CRV
 | | Crystal Structure of the Carbamate Kinase from Pseudomonas aeruginosa | | 分子名称: | 1,2-ETHANEDIOL, Carbamate kinase, FORMIC ACID, ... | | 著者 | Kim, Y, Skarina, T, Mesa, N, Stogios, P, Savchenko, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2022-05-11 | | 公開日 | 2022-08-10 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal Structure of the Carbamate Kinase from Pseudomonas aeruginosa
To Be Published
|
|
6O7M
 | | Nitrogenase MoFeP mutant F99Y from Azotobacter vinelandii in the indigo carmine oxidized state | | 分子名称: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | | 著者 | Rutledge, H.L, Williamson, L.M, Tezcan, F.A. | | 登録日 | 2019-03-08 | | 公開日 | 2019-06-19 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Redox-Dependent Metastability of the Nitrogenase P-Cluster.
J.Am.Chem.Soc., 141, 2019
|
|
6O7O
 | |
8C0F
 | | Tubulin-PTC596 complex | | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoranyl-2-(6-fluoranyl-2-methyl-benzimidazol-1-yl)-~{N}4-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine, ... | | 著者 | Prota, A.E, Muehlethaler, T, Weetall, M, Steinmetz, M.O. | | 登録日 | 2022-12-16 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.1005 Å) | | 主引用文献 | Preclinical and Early Clinical Development of PTC596, a Novel Small-Molecule Tubulin-Binding Agent
Mol Cancer Ther, 20, 2021
|
|
6O9D
 | | Structure of the IRAK4 kinase domain with compound 5 | | 分子名称: | Interleukin-1 receptor-associated kinase 4, N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | | 著者 | Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J. | | 登録日 | 2019-03-13 | | 公開日 | 2019-05-22 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.51 Å) | | 主引用文献 | Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
|
|
7A6C
 | |
6OCG
 | | Crystal structure of VASH1-SVBP complex bound with EpoY | | 分子名称: | CHLORIDE ION, GLYCEROL, N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-tyrosine, ... | | 著者 | Li, F, Luo, X, Yu, H. | | 登録日 | 2019-03-23 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.833 Å) | | 主引用文献 | Structural basis of tubulin detyrosination by vasohibins.
Nat.Struct.Mol.Biol., 26, 2019
|
|
8C01
 | |
6XMX
 | | Cryo-EM structure of BCL6 bound to BI-3802 | | 分子名称: | 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide, B-cell lymphoma 6 protein | | 著者 | Yoon, H, Burman, S.S.R, Hunkeler, M, Nowak, R.P, Fischer, E.S. | | 登録日 | 2020-07-01 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Small-molecule-induced polymerization triggers degradation of BCL6.
Nature, 588, 2020
|
|
8C7Z
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2308 | | 分子名称: | 1,2-ETHANEDIOL, 9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzoxepino[5,4-c]pyridine, AMMONIUM ION, ... | | 著者 | Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N. | | 登録日 | 2023-01-18 | | 公開日 | 2023-02-01 | | 最終更新日 | 2024-08-14 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Discovery of Conformationally Constrained ALK2 Inhibitors.
J.Med.Chem., 67, 2024
|
|
8ENI
 | | Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor | | 分子名称: | 3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one, Bifunctional ligase/repressor BirA | | 著者 | Wilce, M.C.J, Cini, D.A. | | 登録日 | 2022-09-30 | | 公開日 | 2022-11-30 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.
ACS Infect Dis, 4, 2018
|
|
