7PE6
 
 | |
6F3G
 | | IRAK4 IN COMPLEX WITH inhibitor | | 分子名称: | Interleukin-1 receptor-associated kinase 4, SULFATE ION, ~{N}4,~{N}4-dimethyl-~{N}1-(5-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-yl)cyclohexane-1,4-diamine | | 著者 | Xue, Y, Degorce, S.L, Robb, G.R, Ferguson, A.D. | | 登録日 | 2017-11-28 | | 公開日 | 2018-05-23 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Optimization of permeability in a series of pyrrolotriazine inhibitors of IRAK4.
Bioorg. Med. Chem., 26, 2018
|
|
8QBC
 | | Reactive amide intermediate in sperm whale myoglobin mutant H64V V68A | | 分子名称: | ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Tinzl, M, Mittl, P.R.E, Hilvert, D. | | 登録日 | 2023-08-24 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate.
J.Am.Chem.Soc., 146, 2024
|
|
6IZ5
 | |
6BDL
 | |
5EVB
 | | Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor D-CS319 | | 分子名称: | (3S,5S,7aR)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | | 著者 | Hinchliffe, P, Spencer, J. | | 登録日 | 2015-11-19 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.841 Å) | | 主引用文献 | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
6F30
 | | Crystal structure of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3) in complex with UDPGlcNAc | | 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 | Dohler, C, Zebisch, M, Strater, N. | | 登録日 | 2017-11-27 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Crystal structure and substrate binding mode of ectonucleotide phosphodiesterase/pyrophosphatase-3 (NPP3).
Sci Rep, 8, 2018
|
|
8QEF
 | | A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola ATCC 8482 bound to novel ligand. | | 分子名称: | 1,2-ETHANEDIOL, Putative acetyl xylan esterase, beta-D-galactopyranuronic acid | | 著者 | Banerjee, S, Poulsen, J.N, Mazurkewich, S, Seveso, A, Larsbrink, J, Lo Leggio, L. | | 登録日 | 2023-08-31 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds.
Appl.Environ.Microbiol., 90, 2024
|
|
6B8O
 | | WT Ig-like V Domain with Phosphatidylserine | | 分子名称: | 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Sudom, A, Wang, Z. | | 登録日 | 2017-10-09 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
|
|
6IZW
 | | Myxococcus xanthus MglA bound to GTP-gamma-S and MglB | | 分子名称: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Gliding motility protein MglB, MAGNESIUM ION, ... | | 著者 | Baranwal, J, Gayathri, P. | | 登録日 | 2018-12-20 | | 公開日 | 2019-10-16 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Allosteric regulation of a prokaryotic small Ras-like GTPase contributes to cell polarity oscillations in bacterial motility.
Plos Biol., 17, 2019
|
|
8QBA
 | | Sperm whale myoblogin mutant H64V V68A in complex with glycine ethyl ester | | 分子名称: | ACETATE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Tinzl, M, Mittl, P.R.E, Hilvert, D. | | 登録日 | 2023-08-24 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | Myoglobin-Catalyzed Azide Reduction Proceeds via an Anionic Metal Amide Intermediate.
J.Am.Chem.Soc., 146, 2024
|
|
5TQN
 | | Lipoxygenase-1 (soybean) L546A mutant at 293K | | 分子名称: | FE (II) ION, Seed linoleate 13S-lipoxygenase-1 | | 著者 | Poss, E.M, Fraser, J.S, Gee, C. | | 登録日 | 2016-10-24 | | 公開日 | 2017-11-01 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Biophysical Characterization of a Disabled Double Mutant of Soybean Lipoxygenase: The "Undoing" of Precise Substrate Positioning Relative to Metal Cofactor and an Identified Dynamical Network.
J.Am.Chem.Soc., 141, 2019
|
|
7Q28
 | |
8QCL
 | | A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Banerjee, S, Poulsen, J.N, Mazurkewich, S, Seveso, A, Larsbrink, J, Lo Leggio, L. | | 登録日 | 2023-08-27 | | 公開日 | 2023-12-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds.
Appl.Environ.Microbiol., 90, 2024
|
|
7ZY2
 | | Crystal structure of compound 7 bound to CK2alpha | | 分子名称: | 5-bromanyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | | 登録日 | 2022-05-23 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
|
|
5F39
 | | Crystal structure of human KDM4A in complex with compound 37 | | 分子名称: | 8-(1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, Lysine-specific demethylase 4A, ... | | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | | 登録日 | 2015-12-02 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
|
|
6PQC
 | | Structure of cefotaxime-CDD-1 beta-lactamase complex | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-lactamase, ... | | 著者 | Smith, C.A, Vakulenko, S.B. | | 登録日 | 2019-07-09 | | 公開日 | 2019-10-09 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The crystal structures of CDD-1, the intrinsic class D beta-lactamase from the pathogenic Gram-positive bacterium Clostridioides difficile, and its complex with cefotaxime.
J.Struct.Biol., 208, 2019
|
|
7ZY5
 | | Crystal structure of compound 2 bound to CK2alpha | | 分子名称: | 1-NAPHTHOL, ACETATE ION, Casein kinase II subunit alpha | | 著者 | Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D. | | 登録日 | 2022-05-23 | | 公開日 | 2022-10-12 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | | 主引用文献 | A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
|
|
8QF8
 | | GH146 beta-L-arabinofuranosidase from Bacteroides thetaioatomicron in complex with beta-l-arabinofurano cyclophellitol aziridine | | 分子名称: | (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol, (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol, Glycosyl hydrolase, ... | | 著者 | Borlandelli, V, Offen, W, Moroz, O.V, Nin-Hill, A, McGregor, N, Binkhorst, L, Armstrong, Z, Ishiwata, A, Artola, M, Rovira, C, Davies, G.J, Overkleeft, H. | | 登録日 | 2023-09-04 | | 公開日 | 2023-12-13 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | beta-l- Arabino furano-cyclitol Aziridines Are Covalent Broad-Spectrum Inhibitors and Activity-Based Probes for Retaining beta-l-Arabinofuranosidases.
Acs Chem.Biol., 18, 2023
|
|
7Q26
 | | Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual ACE/NEP inhibitor AD013 | | 分子名称: | (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Cozier, G.E, Acharya, K.R. | | 登録日 | 2021-10-23 | | 公開日 | 2022-02-16 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition.
J.Med.Chem., 65, 2022
|
|
7ZGV
 | | Serratia NucC bound to cA3 | | 分子名称: | ACETATE ION, CALCIUM ION, RNA (5'-R(P*AP*AP*A)-3'), ... | | 著者 | Garcia-Doval, C, Mayo-Munoz, D, Smith, L.M, Fineran, P.C. | | 登録日 | 2022-04-04 | | 公開日 | 2022-10-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Type III CRISPR-Cas provides resistance against nucleus-forming jumbo phages via abortive infection.
Mol.Cell, 82, 2022
|
|
6XS8
 | | Crystal structure of Chaetomium thermophilum Vps29 complexed with RaPID-derived cyclic peptide RT-D3 | | 分子名称: | 48V-DTY-GLY-TYR-ASP-PRO-LEU-GLY-LEU-LYS-TYR-PHE-ALA, Vacuolar protein sorting-associated protein 29 | | 著者 | Chen, K.-E, Guo, Q, Collins, B.M. | | 登録日 | 2020-07-15 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.95009851 Å) | | 主引用文献 | De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
|
|
6IXQ
 | | Structure of Myo2-GTD in complex with Smy1 | | 分子名称: | Kinesin-related protein SMY1, Myosin-2 | | 著者 | Tang, K, Wei, Z. | | 登録日 | 2018-12-11 | | 公開日 | 2019-03-06 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.06 Å) | | 主引用文献 | Structural mechanism for versatile cargo recognition by the yeast class V myosin Myo2.
J.Biol.Chem., 294, 2019
|
|
7Q27
 | |
6J0W
 | | Crystal Structure of Yeast Rtt107 and Nse6 | | 分子名称: | Peptide from DNA repair protein KRE29, Regulator of Ty1 transposition protein 107 | | 著者 | Wan, B, Wu, J, Lei, M. | | 登録日 | 2018-12-27 | | 公開日 | 2019-08-14 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Molecular Basis for Control of Diverse Genome Stability Factors by the Multi-BRCT Scaffold Rtt107.
Mol.Cell, 75, 2019
|
|
