6RNK
| Crystal structure of a humanized (K18E, K269N) rat succinate receptor SUCNR1 (GPR91) in complex with a nanobody and antagonist NF-56-EJ40. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]carbonylamino]phenyl]ethanoic acid, GLYCEROL, ... | 著者 | Haffke, M, Jaakola, V.-P. | 登録日 | 2019-05-08 | 公開日 | 2019-08-14 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Structural basis of species-selective antagonist binding to the succinate receptor. Nature, 574, 2019
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4ZZN
| Human ERK2 in complex with an inhibitor | 分子名称: | 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION | 著者 | Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K. | 登録日 | 2015-04-10 | 公開日 | 2015-05-27 | 最終更新日 | 2015-08-26 | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | 主引用文献 | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2. J.Med.Chem., 58, 2015
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9F4O
| UP1 in complex with Z991506900 | 分子名称: | (3~{R})-3-methyl-1-(6-methylpyridin-2-yl)piperazine, Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed | 著者 | Dunnett, L, Prischi, F. | 登録日 | 2024-04-28 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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6RFO
| ERK2 MAP kinase with the activation loop of p38alpha | 分子名称: | Mitogen-activated protein kinase 1,Mitogen-activated protein kinase 14,Mitogen-activated protein kinase 1 | 著者 | Livnah, O, Eitan-Wexler, M. | 登録日 | 2019-04-15 | 公開日 | 2020-05-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The bacterial metalloprotease NleD selectively cleaves mitogen-activated protein kinases that have high flexibility in their activation loop. J.Biol.Chem., 295, 2020
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6RO9
| Human spectrin SH3 domain D48G, E7V, K60V | 分子名称: | Spectrin alpha, non-erythrocytic 1 | 著者 | Reverter, D, Navarro, S, Ventura, S. | 登録日 | 2019-05-10 | 公開日 | 2020-06-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.814 Å) | 主引用文献 | Human spectrin SH3 domain D48G, E7V, K60V To Be Published
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6ROA
| Crystal structure of V57G mutant of human cystatin C | 分子名称: | Cystatin-C | 著者 | Orlikowska, M, Behrendt, I, Borek, D, Otwinowski, Z, Skowron, P, Szymanska, A. | 登録日 | 2019-05-10 | 公開日 | 2019-08-07 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution. Febs J., 287, 2020
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9EO2
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3KX4
| Crystal structure of Bacillus megaterium BM3 heme domain mutant I401E | 分子名称: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Girvan, H.M, Levy, C.W, Leys, D, Munro, A.W. | 登録日 | 2009-12-02 | 公開日 | 2010-05-19 | 最終更新日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Glutamate-haem ester bond formation is disfavoured in flavocytochrome P450 BM3: characterization of glutamate substitution mutants at the haem site of P450 BM3. Biochem.J., 427, 2010
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5A5I
| Cytochrome 2C9 P450 inhibitor complex | 分子名称: | CYTOCHROME P450 2C9, N-[4-(3-chloranyl-4-cyano-phenoxy)cyclohexyl]-1,1,1-tris(fluoranyl)methanesulfonamide, PROTOPORPHYRIN IX CONTAINING FE | 著者 | Skerratt, S.E, de Groot, M.J, Phillips, C. | 登録日 | 2015-06-18 | 公開日 | 2016-08-24 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of a Novel Binding Pocket for Cyp 2C9 Inhibitors: Crystallography, Pharmacophore Modelling and Inhibitor Sar. Med.Chem.Comm., 7, 2016
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9ENZ
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8ZJV
| Crystal Structure of the ERK2 complexed with 5-Iodotubercidin | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | 著者 | Yang, Y, Fu, L, Chen, R, Cheng, H, Sun, X. | 登録日 | 2024-05-15 | 公開日 | 2024-05-29 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Crystal Structure of the ERK2 complexed with 5-Iodotubercidin To Be Published
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9F52
| UP1 in complex with Z734147462 | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, [4-(methylamino)oxan-4-yl]methanol | 著者 | Dunnett, L, Prischi, F. | 登録日 | 2024-04-28 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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9F4K
| UP1 in complex with ZINC72259689 | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide | 著者 | Dunnett, L, Prischi, F. | 登録日 | 2024-04-28 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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4ZSQ
| BACE crystal structure with tricyclic aminothiazine inhibitor | 分子名称: | Beta-secretase 1, GLYCEROL, N-[(4S,4aS,6S,8aR)-10-aminohexahydro-3H-4,8a-(epithiomethenoazeno)isochromen-6(1H)-yl]-3-chlorobenzamide | 著者 | Timm, D.E. | 登録日 | 2015-05-13 | 公開日 | 2015-06-10 | 最終更新日 | 2015-06-17 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Preparation and biological evaluation of conformationally constrained BACE1 inhibitors. Bioorg.Med.Chem., 23, 2015
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9F55
| UP1 in complex with Z235361315 | 分子名称: | Heterogeneous nuclear ribonucleoprotein A1, N-terminally processed, ~{N}-(3-azanyl-2-methyl-phenyl)propanamide | 著者 | Dunnett, L, Prischi, F. | 登録日 | 2024-04-28 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Enhanced identification of small molecules binding to hnRNP A1 via in silico hotspot and cryptic pockets mapping coupled with X-Ray fragment screening To Be Published
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6RSK
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4ZTQ
| Human Aurora A catalytic domain bound to FK932 | 分子名称: | (2Z,5Z)-2-[(4-ethylphenyl)imino]-3-(2-methoxyethyl)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one, (4S)-2-METHYL-2,4-PENTANEDIOL, Aurora kinase A | 著者 | Marcaida, M.J, Kilchmann, F, Schick, T, Reymond, J.L. | 登録日 | 2015-05-14 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening. J.Med.Chem., 59, 2016
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9EO8
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6RSV
| Endothiapepsin in complex with 017 | 分子名称: | 1~{H}-1,2,3,4-tetrazol-5-ylmethyldiazane, DIMETHYL SULFOXIDE, Endothiapepsin, ... | 著者 | Magari, F, Heine, A, Klebe, G. | 登録日 | 2019-05-22 | 公開日 | 2020-07-08 | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | 主引用文献 | Endothiapepsin in complex with 017 To Be Published
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3L3C
| Crystal structure of the Bacillus anthracis glmS ribozyme bound to Glc6P | 分子名称: | 6-O-phosphono-alpha-D-glucopyranose, GLMS RIBOZYME, MAGNESIUM ION, ... | 著者 | Strobel, S.A, Cochrane, J.C, Lipchock, S.V, Smith, K.D. | 登録日 | 2009-12-16 | 公開日 | 2009-12-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Structural and chemical basis for glucosamine 6-phosphate binding and activation of the glmS ribozyme Biochemistry, 48, 2009
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3L4I
| CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HSP70 (CGD2_20) FROM Cryptosporidium PARVUM IN COMPLEX WITH ADP and inorganic phosphate | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | 著者 | Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Sullivan, H, Lew, J, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | 登録日 | 2009-12-20 | 公開日 | 2010-01-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | CRYSTAL STRUCTURE OF THE N-TERMINAL DOMAIN OF HSP70 (CGD2_20) FROM Cryptosporidium PARVUM IN COMPLEX WITH ADP and inorganic phosphate To be Published
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3KL8
| CaMKIINtide Inhibitor Complex | 分子名称: | Calcium/calmodulin dependent protein kinase II, Calcium/calmodulin-dependent protein kinase II inhibitor 1 | 著者 | Kuriyan, J, Chao, L.H, Pellicena, P, Deindl, S, Barclay, L.A, Schulman, H. | 登録日 | 2009-11-06 | 公開日 | 2010-02-09 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (3.372 Å) | 主引用文献 | Intersubunit capture of regulatory segments is a component of cooperative CaMKII activation. Nat.Struct.Mol.Biol., 17, 2010
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5AEQ
| Neuronal calcium sensor (NCS-1)from Rattus norvegicus | 分子名称: | CALCIUM ION, NEURONAL CALCIUM SENSOR 1, SODIUM ION | 著者 | Saleem, M, Karuppiah, V, Pandalaneni, S, Burgoyne, R, Derrick, J.P, Lian, L.Y. | 登録日 | 2015-01-08 | 公開日 | 2015-02-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Neuronal Calcium Sensor-1 Binds the D2 Dopamine Receptor and G-Protein-Coupled Receptor Kinase 1 (Grk1) Peptides Using Different Modes of Interactions. J.Biol.Chem., 290, 2015
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9EO5
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3KKO
| Crystal structure of M-Ras P40D/D41E/L51R in complex with GppNHp | 分子名称: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein M-Ras, ... | 著者 | Muraoka, S, Shima, F, Liao, J, Ijiri, Y, Matsumoto, K, Ye, M, Inoue, T, Kataoka, T. | 登録日 | 2009-11-06 | 公開日 | 2010-06-16 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structural basis for conformational dynamics of GTP-bound Ras protein J.Biol.Chem., 285, 2010
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