4UXV
 
 | | Cytoplasmic domain of bacterial cell division protein EzrA | | 分子名称: | SEPTATION RING FORMATION REGULATOR EZRA | | 著者 | Cleverley, R.M, Barrett, J.R, Basle, A, Khai-Bui, N, Hewitt, L, Solovyova, A, Xu, Z, Daniela, R.A, Dixon, N.E, Harry, E.J, Oakley, A.J, Vollmer, W, Lewis, R.J. | | 登録日 | 2014-08-27 | | 公開日 | 2014-10-22 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.961 Å) | | 主引用文献 | Structure and Function of a Spectrin-Like Regulator of Bacterial Cytokinesis.
Nat.Commun., 5, 2014
|
|
8CEI
 | |
8CEK
 | |
8C6P
 | | Fragment screening hit I bound to endothiapepsin | | 分子名称: | 4-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)methyl]benzenecarbonitrile, Endothiapepsin, GLYCEROL | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2023-01-12 | | 公開日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
|
|
8C6Q
 | | Fragment screening hit II bound to endothiapepsin | | 分子名称: | 3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline, Endothiapepsin, GLYCEROL | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2023-01-12 | | 公開日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
|
|
4V3Z
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(2-(3- fluorophenyl)cyclopropylmethyl)ethan-1-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2014-10-20 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.052 Å) | | 主引用文献 | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
|
|
4V12
 | | Crystal structure of the MSMEG_6754 dehydratase from Mycobacterium smegmatis | | 分子名称: | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAOC LIKE DOMAIN PROTEIN | | 著者 | Blaise, M. | | 登録日 | 2014-09-23 | | 公開日 | 2015-03-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | A New Dehydratase Conferring Innate Resistance to Thiacetazone and Intra-Amoebal Survival of Mycobacterium Smegmatis.
Mol.Microbiol., 96, 2015
|
|
5X7V
 | |
4V01
 | | FGFR1 in complex with ponatinib (co-crystallisation). | | 分子名称: | 1,2-ETHANEDIOL, 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | | 著者 | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | | 登録日 | 2014-09-10 | | 公開日 | 2014-12-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
|
|
8C71
 | | Pyrrolidine fragment 5b bound to endothiapepsin | | 分子名称: | (3~{R},4~{R})-4-(3,4-dihydro-1~{H}-isoquinolin-2-yl)pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2023-01-12 | | 公開日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
|
|
8C72
 | | Pyrrolidine fragment 10b bound to endothiapepsin | | 分子名称: | (3~{S},4~{S})-4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-3-ol, Endothiapepsin, GLYCEROL | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2023-01-12 | | 公開日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
|
|
8C70
 | | Pyrrolidine fragment 1 bound to endothiapepsin | | 分子名称: | (3~{R},4~{R})-4-[4-[(5-bromanylpyridin-3-yl)oxymethyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2023-01-12 | | 公開日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
|
|
6P2S
 | |
8C5D
 | |
8HHY
 | | SARS-CoV-2 Delta Spike in complex with IS-9A | | 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, IS-9A Fab heavy chain, ... | | 著者 | Mohapatra, A, Wu, Y.-M. | | 登録日 | 2022-11-17 | | 公開日 | 2023-02-01 | | 実験手法 | ELECTRON MICROSCOPY (2.77 Å) | | 主引用文献 | Structural basis for a conserved neutralization epitope on the receptor-binding domain of SARS-CoV-2.
Nat Commun, 14, 2023
|
|
8C74
 | | Pyrrolidine fragment 10d bound to endothiapepsin | | 分子名称: | (3~{R},4~{R})-4-[4-[(4-azanylphenoxy)methyl]-1,2,3-triazol-1-yl]pyrrolidin-3-ol, Endothiapepsin, GLYCEROL | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2023-01-12 | | 公開日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
|
|
8C79
 | | Crystal structure of Leishmania donovani 6-Phosphogluconate Dehydrogenase complexed with NADPH | | 分子名称: | 6-phosphogluconate dehydrogenase, decarboxylating, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Fritz-Wolf, K, Berneburg, I, Rahlfs, S, Becker, K. | | 登録日 | 2023-01-13 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure of Leishmania donovani 6-Phosphogluconate Dehydrogenase and Inhibition by Phosphine Gold(I) Complexes: A Potential Approach to Leishmaniasis Treatment.
Int J Mol Sci, 24, 2023
|
|
8CGC
 | | Structure of CSF1R in complex with a pyrollopyrimidine (compound 23) | | 分子名称: | (2S)-2-hydroxybutanedioic acid, GLYCEROL, Macrophage colony-stimulating factor 1 receptor, ... | | 著者 | Aarhus, T.I, Bjornstad, F, Wolowczyk, C, Larsen, K.U, Rognstad, L, Leithaug, T, Unger, A, Habenberger, P, Wolff, A, Bjorkoy, G, Pridans, C, Eickhoff, J, Klebl, B, Hoff, B.H, Sundby, E. | | 登録日 | 2023-02-03 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.925 Å) | | 主引用文献 | Synthesis and Development of Highly Selective Pyrrolo[2,3- d ]pyrimidine CSF1R Inhibitors Targeting the Autoinhibited Form.
J.Med.Chem., 66, 2023
|
|
4W8I
 | | Crystal structure of LpSPL/Lpp2128, Legionella pneumophila sphingosine-1 phosphate lyase | | 分子名称: | Probable sphingosine-1-phosphate lyase | | 著者 | Stogios, P.J, Daniels, C, Skarina, T, Cuff, M, Di Leo, R, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2014-08-24 | | 公開日 | 2014-11-05 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Legionella pneumophila S1P-lyase targets host sphingolipid metabolism and restrains autophagy.
Proc.Natl.Acad.Sci.USA, 113, 2016
|
|
1ZSE
 | | RNA stemloop from bacteriophage Qbeta complexed with an N87S mutant MS2 Capsid | | 分子名称: | Coat protein, RNA HAIRPIN | | 著者 | Horn, W.T, Tars, K, Grahn, E, Helgstrand, C, Baron, A.J, Lago, H, Adams, C.J, Peabody, D.S, Phillips, S.E.V, Stonehouse, N.J, Liljas, L, Stockley, P.G. | | 登録日 | 2005-05-24 | | 公開日 | 2006-05-09 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural Basis of RNA Binding Discrimination between Bacteriophages Qbeta and MS2
Structure, 14, 2006
|
|
4W8T
 | |
4W8Z
 | |
6PNA
 | | Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(4-(2-Aminoethyl)phenyl)-4-methylquinolin-2-amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[4-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine, GLYCEROL, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2019-07-02 | | 公開日 | 2020-04-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
J.Med.Chem., 63, 2020
|
|
8C6S
 | | Fragment screening hit III bound to endothiapepsin | | 分子名称: | 4-(1,4-diazepan-1-ylsulfonyl)isoquinoline, Endothiapepsin, GLYCEROL | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2023-01-12 | | 公開日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
|
|
8C6T
 | | Fragment screening hit IV bound to endothiapepsin | | 分子名称: | 1-[3,5-bis(chloranyl)phenoxy]propan-2-amine, Endothiapepsin, GLYCEROL | | 著者 | Wiese, J.N, Buehrmann, M, Mueller, M.P, Rauh, D. | | 登録日 | 2023-01-12 | | 公開日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (1.15 Å) | | 主引用文献 | Fragtory: Pharmacophore-Focused Design, Synthesis, and Evaluation of an sp 3 -Enriched Fragment Library.
J.Med.Chem., 66, 2023
|
|
