8B75
 
 | |
6WL5
 | | Crystal structure of EcmrR C-terminal domain | | 分子名称: | 1,2-ETHANEDIOL, CETYL-TRIMETHYL-AMMONIUM, CHLORIDE ION, ... | | 著者 | Yang, Y, Liu, C, Liu, B. | | 登録日 | 2020-04-18 | | 公開日 | 2021-04-07 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structural visualization of transcription activated by a multidrug-sensing MerR family regulator.
Nat Commun, 12, 2021
|
|
8V8C
 | | Alpha7-nicotinic acetylcholine receptor time resolved bound to epibatidine and PNU-120596 asymmetric state 1 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Burke, S.M, Noviello, C.M, Hibbs, R.E. | | 登録日 | 2023-12-05 | | 公開日 | 2024-02-21 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | | 主引用文献 | Structural mechanisms of alpha 7 nicotinic receptor allosteric modulation and activation.
Cell, 187, 2024
|
|
5XRV
 | | Crystal Structure of Transketolase in complex with TPP_V and fructose-6-phosphate from Pichia Stipitis | | 分子名称: | 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Li, T.L, Hsu, N.S, Wang, Y.L. | | 登録日 | 2017-06-09 | | 公開日 | 2018-06-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
|
|
6NWC
 | | PYL10 bound to the ABA pan-agonist 3CB | | 分子名称: | 1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid, Abscisic acid receptor PYL10 | | 著者 | Peterson, F.C, Vaidya, A, Jensen, D.R, Volkman, B.F, Cutler, S.R. | | 登録日 | 2019-02-06 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Dynamic control of plant water use using designed ABA receptor agonists.
Science, 366, 2019
|
|
5XN7
 | |
8Q11
 | | Endothiapepsin in complex with ligand (3R,5R)-5-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-126) | | 分子名称: | (3~{R},5~{R})-5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | | 登録日 | 2023-07-29 | | 公開日 | 2024-08-07 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits
To Be Published
|
|
8Q0Z
 | | Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-089) | | 分子名称: | (3~{R},5~{R})-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | | 登録日 | 2023-07-29 | | 公開日 | 2024-08-07 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits
To Be Published
|
|
8Q0Y
 | | Endothiapepsin in complex with ligand (3R,5R)-5-(3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)pyrrolidin-3-ol (CBWS-SE-085.1) | | 分子名称: | (3~{R},5~{R})-5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ... | | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | | 登録日 | 2023-07-29 | | 公開日 | 2024-08-07 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits
To Be Published
|
|
8GHI
 | |
9MBC
 | | Cryo-EM structure of agonist-bound GPCR | | 分子名称: | 2-[(4-bromophenyl)methylsulfanyl]-~{N}-[4-[(2~{S})-butan-2-yl]phenyl]ethanamide, 4-[(S)-amino(carboxy)methyl]benzene-1,2-dicarboxylic acid, Metabotropic glutamate receptor 8 | | 著者 | Zhao, J, Zhao, C, Sun, H, Shao, Z.H. | | 登録日 | 2025-03-15 | | 公開日 | 2025-10-01 | | 実験手法 | ELECTRON MICROSCOPY (2.97 Å) | | 主引用文献 | Structural characterization of five functional states of metabotropic glutamate receptor 8.
Mol.Cell, 85, 2025
|
|
6YP2
 | |
8GHH
 | |
5LTD
 | |
6NYW
 | | Structure of spastin AAA domain N527C mutant in complex with 8-fluoroquinazoline-based inhibitor | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine, ... | | 著者 | Pisa, R, Cupido, T, Kapoor, T.M. | | 登録日 | 2019-02-12 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.189 Å) | | 主引用文献 | Designing Allele-Specific Inhibitors of Spastin, a Microtubule-Severing AAA Protein.
J. Am. Chem. Soc., 141, 2019
|
|
6B15
 | | Crystal structure of CBMbc (family CBM26) from Eubacterium rectale Amy13K | | 分子名称: | 1,2-ETHANEDIOL, Amy13K | | 著者 | Cockburn, D.W, Wawrzak, Z, Perez Medina, K, Koropatkin, N.M. | | 登録日 | 2017-09-16 | | 公開日 | 2017-11-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Novel carbohydrate binding modules in the surface anchored alpha-amylase of Eubacterium rectale provide a molecular rationale for the range of starches used by this organism in the human gut.
Mol. Microbiol., 107, 2018
|
|
8Q0V
 | | Endothiapepsin in complex with ligand (3R,5R)-3-(2-((methyl(prop-2-yn-1-yl)amino)methyl)thiazol-4-yl)-5-(3-(4-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol (CBWS-SE-073) | | 分子名称: | (3~{R},5~{R})-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]-5-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Mueller, J.M, Eckelt, S, Klebe, G, Glinca, S. | | 登録日 | 2023-07-29 | | 公開日 | 2024-08-07 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | Crystal structures of Endothiapepsin with ligands derived from merged fragment hits
To Be Published
|
|
6YQT
 | | CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH A SULFONAMIDE DERIVATIVE OF 2-MERCAPTOBENZOXAZOLE | | 分子名称: | 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Alterio, V, De Simone, G, Esposito, D. | | 登録日 | 2020-04-18 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site.
Chem.Commun.(Camb.), 56, 2020
|
|
7SXE
 | | Crystal structure of ligase I with nick duplexes containing cognate G:T | | 分子名称: | ADENOSINE MONOPHOSPHATE, DNA chain 1, DNA chain 2, ... | | 著者 | Tang, Q, Gulkis, M, McKenna, R, Caglayan, M. | | 登録日 | 2021-11-22 | | 公開日 | 2022-07-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structures of LIG1 that engage with mutagenic mismatches inserted by pol beta in base excision repair.
Nat Commun, 13, 2022
|
|
9LTU
 | |
9B9G
 | | Structure of the PI4KA complex bound to Calcineurin | | 分子名称: | CALCIUM ION, Calcineurin subunit B type 1, Hyccin, ... | | 著者 | Shaw, A.L, Suresh, S, Yip, C.K, Burke, J.E. | | 登録日 | 2024-04-02 | | 公開日 | 2024-09-11 | | 最終更新日 | 2025-05-28 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structure of calcineurin bound to PI4KA reveals dual interface in both PI4KA and FAM126A.
Structure, 32, 2024
|
|
8BVP
 | | Crystal structure of an N-terminal fragment of the effector protein Lpg2504 (SidI) from Legionella pneumophila | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Restriction endonuclease | | 著者 | Machtens, D.A, Willerding, J.M, Eschenburg, S, Reubold, T.F. | | 登録日 | 2022-12-05 | | 公開日 | 2023-05-03 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystal structure of the N-terminal domain of the effector protein SidI of Legionella pneumophila reveals a glucosyl transferase domain.
Biochem.Biophys.Res.Commun., 661, 2023
|
|
6Y47
 | |
6OIN
 | | Crystal structure of MYST acetyltransferase domain in complex with inhibitor CTX-124143 | | 分子名称: | 2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide, GLYCEROL, Histone acetyltransferase KAT8, ... | | 著者 | Hermans, S.J, Chung, M.C, Parker, M.W, Thomas, T, Baell, J.B. | | 登録日 | 2019-04-09 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of Benzoylsulfonohydrazides as Potent Inhibitors of the Histone Acetyltransferase KAT6A.
J.Med.Chem., 62, 2019
|
|
7LMP
 | | Structure of full-length human lambda-6A light chain JTO in complex with stabilizer 36 [3-(2-(7-(diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl)ethyl)-8-(1H-imidazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione] | | 分子名称: | 3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione, JTO light chain, PHOSPHATE ION | | 著者 | Yan, N.L, Wilson, I.A, Kelly, J.W. | | 登録日 | 2021-02-05 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design.
J.Med.Chem., 64, 2021
|
|
