9F1N
 
 | | First bromodomain of BRD4 in complex with ISOX-DUAL based degrader 46 | | 分子名称: | (2S,4R)-1-[(2S)-2-[9-[2-[4-[2-[2-[2-[4-[3-(dimethylamino)propoxy]phenyl]ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]ethyl]piperazin-1-yl]ethanoylamino]nonanoylamino]-3,3-dimethyl-butanoyl]-N-[[4-(4-methyl-4H-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | | 著者 | Balourdas, D.I, Edmonds, A.K, Marsh, G.P, Maple, H.J, Spencer, J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | 登録日 | 2024-04-19 | | 公開日 | 2024-09-11 | | 最終更新日 | 2025-09-24 | | 実験手法 | X-RAY DIFFRACTION (1.71000016 Å) | | 主引用文献 | Structure-Guided Design of ISOX-DUAL-Based Degraders Targeting BRD4 and CBP/EP300: A Case of Degrader Collapse.
J.Med.Chem., 68, 2025
|
|
9AVL
 | | Structure of human calcium-sensing receptor in complex with Gi3 protein in nanodiscs | | 分子名称: | (19R,22S,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Zuo, H, Park, J, Frangaj, A, Ye, J, Lu, G, Manning, J.J, Asher, W.B, Lu, Z, Hu, G, Wang, L, Mendez, J, Eng, E, Zhang, Z, Lin, X, Grasucci, R, Hendrickson, W.A, Clarke, O.B, Javitch, J.A, Conigrave, A.D, Fan, Q.R. | | 登録日 | 2024-03-04 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-11-20 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Promiscuous G-protein activation by the calcium-sensing receptor.
Nature, 629, 2024
|
|
7B3Z
 | | Crystal structure of c-MET bound by compound 5 | | 分子名称: | 3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, DIMETHYL SULFOXIDE, Hepatocyte growth factor receptor | | 著者 | Collie, G.W. | | 登録日 | 2020-12-01 | | 公開日 | 2020-12-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET.
Acs Med.Chem.Lett., 12, 2021
|
|
9AX6
 | | Tricomplex of RMC-6236, KRAS G12D, and CypA | | 分子名称: | (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ... | | 著者 | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | | 登録日 | 2024-03-05 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers.
Cancer Discov, 14, 2024
|
|
4XQN
 | | Crystal structure of AgrA LytTR domain in complex with promoters | | 分子名称: | 1,2-ETHANEDIOL, Accessory gene regulator A, DNA (5'-D(*AP*CP*AP*GP*TP*TP*AP*AP*GP*AP*AP*T)-3'), ... | | 著者 | Gopal, B, Rajasree, K. | | 登録日 | 2015-01-19 | | 公開日 | 2016-04-06 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Conformational features of theStaphylococcus aureusAgrA-promoter interactions rationalize quorum-sensing triggered gene expression.
Biochem Biophys Rep, 6, 2016
|
|
8E36
 | | E. coli 50S ribosome bound to compound streptogramin A analog 3146 | | 分子名称: | 2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-4-yl]-N-{2-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}acetamide, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | 著者 | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | 登録日 | 2022-08-16 | | 公開日 | 2023-06-28 | | 最終更新日 | 2025-03-19 | | 実験手法 | ELECTRON MICROSCOPY (2.38 Å) | | 主引用文献 | Potential for clicked streptogramin analogs
To Be Published
|
|
7AML
 | | RET/GDNF/GFRa1 extracellular complex Cryo-EM structure | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GDNF family receptor alpha, ... | | 著者 | Adams, S.E, Earl, C.P, Purkiss, A.G, McDonald, N.Q. | | 登録日 | 2020-10-09 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-11-13 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | A two-site flexible clamp mechanism for RET-GDNF-GFR alpha 1 assembly reveals both conformational adaptation and strict geometric spacing.
Structure, 29, 2021
|
|
8YJC
 | | Structure of Vibrio vulnificus MARTX cysteine protease domain C3727A | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, INOSITOL HEXAKISPHOSPHATE, Multifunctional autoprocessing repeat-in-toxin (MARTX), ... | | 著者 | Chen, L, Khan, H, Tan, L, Li, X, Zhang, G, Im, Y.J. | | 登録日 | 2024-03-01 | | 公開日 | 2024-07-10 | | 最終更新日 | 2024-08-14 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Structural basis of the activation of MARTX cysteine protease domain from Vibrio vulnificus.
Plos One, 19, 2024
|
|
8E3O
 | | E. coli 50S ribosome bound to solithromycin and VM1 | | 分子名称: | (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a ,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | 著者 | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | 登録日 | 2022-08-17 | | 公開日 | 2023-06-28 | | 最終更新日 | 2025-03-19 | | 実験手法 | ELECTRON MICROSCOPY (1.99 Å) | | 主引用文献 | Solithromycin siderophore conjugates
To Be Published
|
|
6X7N
 | | LnmK in complex with 2-nitronate-propionyl-amino(dethia)-CoA | | 分子名称: | Bifunctional methylmalonyl-CoA:ACP acyltransferase/decarboxylase, SULFATE ION, [1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium | | 著者 | Stunkard, L.M, Kick, B.J, Lohman, J.R. | | 登録日 | 2020-05-30 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Structures of LnmK, a Bifunctional Acyltransferase/Decarboxylase, with Substrate Analogues Reveal the Basis for Selectivity and Stereospecificity.
Biochemistry, 60, 2021
|
|
8E43
 | | E. coli 50S ribosome bound to compound streptogramin A analog 3336 | | 分子名称: | (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | 著者 | Pellegrino, J, Lee, D.J, Seiple, I.B, Fraser, J.S. | | 登録日 | 2022-08-17 | | 公開日 | 2023-06-28 | | 最終更新日 | 2025-03-19 | | 実験手法 | ELECTRON MICROSCOPY (2.09 Å) | | 主引用文献 | Streptogramin A analogs
To Be Published
|
|
8E46
 | | E. coli 50S ribosome bound to antibiotic analog SLC21 | | 分子名称: | (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[{[1-(2-{[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoethyl)-1H-1,2,3-triazol-4-yl]methyl}(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | 著者 | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | 登録日 | 2022-08-17 | | 公開日 | 2023-06-28 | | 最終更新日 | 2025-03-19 | | 実験手法 | ELECTRON MICROSCOPY (2.32 Å) | | 主引用文献 | SLC collection of antibiotic analogs
To Be Published
|
|
9GOH
 | | Crystal structure of DPP4 in complex with sulphostin. | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4 soluble form, ... | | 著者 | Sewald, L, Tabak, W.W.A, Fehr, L, Zolg, S, Najdzion, M, Verhoef, C.J.A, Podlesainski, D, Geiss-Friedlander, R, Lammens, A, Kaschani, F, Hellerschmied, D, Huber, R, Kaiser, M. | | 登録日 | 2024-09-05 | | 公開日 | 2025-07-16 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Sulphostin-inspired N-phosphonopiperidones as selective covalent DPP8 and DPP9 inhibitors.
Nat Commun, 16, 2025
|
|
5MGD
 | | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-Galactosyl-lactose | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | | 登録日 | 2016-11-21 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages.
FEBS J., 284, 2017
|
|
7QCS
 | | PALS1/MPP5 PDZ domain in complex with SARS-CoV-2_E PBM peptide | | 分子名称: | Envelope small membrane protein, Protein PALS1 | | 著者 | Zhu, Y, Alvarez, F, Haouz, A, Mechaly, A, Caillet-Saguy, C. | | 登録日 | 2021-11-25 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.804 Å) | | 主引用文献 | Interactions of Severe Acute Respiratory Syndrome Coronavirus 2 Protein E With Cell Junctions and Polarity PSD-95/Dlg/ZO-1-Containing Proteins.
Front Microbiol, 13, 2022
|
|
5LGV
 | | GlgE isoform 1 from Streptomyces coelicolor E423A mutant soaked in maltooctaose | | 分子名称: | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1, 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-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | 著者 | Syson, K, Stevenson, C.E.M, Mia, F, Barclay, J.E, Tang, M, Gorelik, A, Rashid, A.M, Lawson, D.M, Bornemann, S. | | 登録日 | 2016-07-08 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Ligand-bound structures and site-directed mutagenesis identify the acceptor and secondary binding sites of Streptomyces coelicolor maltosyltransferase GlgE.
J.Biol.Chem., 291, 2016
|
|
8GMH
 | | Crystal Structure of the ternary complex of TelA-LXG, LapA3, and LapA4 | | 分子名称: | 1,2-ETHANEDIOL, LXG domain-containing protein, LapA3, ... | | 著者 | Klein, T.A, Shah, P.Y, Gkragkopoulou, P, Grebenc, D.W, Kim, Y, Whitney, J.C. | | 登録日 | 2023-03-25 | | 公開日 | 2024-01-10 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure of a tripartite protein complex that targets toxins to the type VII secretion system.
Proc.Natl.Acad.Sci.USA, 121, 2024
|
|
7QRZ
 | | Crystal structure of B30.2 PRYSPRY domain of MID2 | | 分子名称: | 1,2-ETHANEDIOL, Probable E3 ubiquitin-protein ligase MID2, SULFATE ION | | 著者 | Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-01-12 | | 公開日 | 2022-05-04 | | 最終更新日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | | 主引用文献 | Structural analysis of TRIM family PRYSPRY domains and its implications for E3-ligand design.
J Struct Biol X, 12, 2025
|
|
7QS2
 | | Crystal structure of B30.2 PRYSPRY domain of TRIM15 | | 分子名称: | 1,2-ETHANEDIOL, IODIDE ION, TRIM15 | | 著者 | Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-01-12 | | 公開日 | 2022-05-04 | | 最終更新日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Structural analysis of TRIM family PRYSPRY domains and its implications for E3-ligand design.
J Struct Biol X, 12, 2025
|
|
8CGJ
 | | Streptomycin bound to the 30S body | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S16, ... | | 著者 | Paternoga, H, Crowe-McAuliffe, C, Beckert, B, Wilson, D.N. | | 登録日 | 2023-02-05 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-04-24 | | 実験手法 | ELECTRON MICROSCOPY (1.79 Å) | | 主引用文献 | Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
|
|
7QS3
 | | Crystal structure of B30.2 PRYSPRY domain of TRIM16 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Tripartite motif-containing protein 16 | | 著者 | Chaikuad, A, Zhubi, R, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2022-01-12 | | 公開日 | 2022-05-04 | | 最終更新日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Structural analysis of TRIM family PRYSPRY domains and its implications for E3-ligand design.
J Struct Biol X, 12, 2025
|
|
6Y1C
 | | X-ray structure of Lactobacillus brevis alcohol dehydrogenase mutant D54F | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Hermann, J, Bischoff, D, Janowski, R, Niessing, D, Grob, P, Hekmat, D, Weuster-Botz, D. | | 登録日 | 2020-02-11 | | 公開日 | 2020-02-19 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Controlling Protein Crystallization by Free Energy Guided Design of Interactions at Crystal Contacts
Crystals, 11, 2021
|
|
4Y2C
 | |
6P29
 | | N-demethylindolmycin synthase (PluN2) in complex with N-demethylindolmycin | | 分子名称: | (5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one, N-demethylindolmycin synthase (PluN2), TRIETHYLENE GLYCOL | | 著者 | Du, Y.L, Higgins, M.A, Zhao, G, Ryan, K.S. | | 登録日 | 2019-05-21 | | 公開日 | 2019-08-07 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Convergent biosynthetic transformations to a bacterial specialized metabolite.
Nat.Chem.Biol., 15, 2019
|
|
6P3Z
 | |
