3UYJ
 
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4PNI
 | | Bovine G protein-coupled receptor kinase 1 in complex with GSK2163632A | | 分子名称: | 3-[(2-{[1-(N,N-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide, CHLORIDE ION, Rhodopsin kinase | | 著者 | Homan, K.T, Tesmer, J.J.G. | | 登録日 | 2014-05-23 | | 公開日 | 2014-10-08 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Identification and structure-function analysis of subfamily selective g protein-coupled receptor kinase inhibitors.
Acs Chem.Biol., 10, 2015
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8GED
 | | CryoEM structure of beta-2-adrenergic receptor in complex with nucleotide-free Gs heterotrimer (#14 of 20) | | 分子名称: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | 著者 | Papasergi-Scott, M.M, Skiniotis, G. | | 登録日 | 2023-03-06 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
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8GG8
 | | CryoEM structure of beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #14 of 20) | | 分子名称: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Papasergi-Scott, M.M, Skiniotis, G. | | 登録日 | 2023-03-08 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-06-12 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
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2XFH
 | | Structure of cytochrome P450 EryK cocrystallized with inhibitor clotrimazole. | | 分子名称: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, DIMETHYL SULFOXIDE, ERYTHROMYCIN B/D C-12 HYDROXYLASE, ... | | 著者 | Savino, C, Montemiglio, L.C, Gianni, S, Vallone, B. | | 登録日 | 2010-05-24 | | 公開日 | 2010-09-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Azole Drugs Trap Cytochrome P450 Eryk in Alternative Conformational States.
Biochemistry, 49, 2010
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3LFE
 | | Human p38 MAP Kinase in Complex with RL116 | | 分子名称: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | 登録日 | 2010-01-16 | | 公開日 | 2011-04-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
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6I8G
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6IC7
 | | Human cathepsin-C in complex with dipeptidyl cyclopropyl nitrile inhibitor 3 | | 分子名称: | 1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Hakansson, M, Logan, D.T, Korkmaz, B, Lesner, A, Wysocka, M, Gieldon, A, Gauthier, F, Jenne, D, Lauritzen, C, Pedersen, J. | | 登録日 | 2018-12-02 | | 公開日 | 2019-04-24 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structure-based design and in vivo anti-arthritic activity evaluation of a potent dipeptidyl cyclopropyl nitrile inhibitor of cathepsin C.
Biochem. Pharmacol., 164, 2019
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8GGV
 | | Locally refined cryoEM structure of receptor from beta-2-adrenergic receptor in complex with GTP-bound Gs heterotrimer (transition intermediate #14 of 20) | | 分子名称: | (5R,6R)-6-(methylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Beta-2 adrenergic receptor | | 著者 | Papasergi-Scott, M.M, Skiniotis, G. | | 登録日 | 2023-03-08 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-06-05 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Time-resolved cryo-EM of G-protein activation by a GPCR.
Nature, 629, 2024
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5ADL
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-(Methylamino)methyl)phenoxy)methyl)quinolin-2- amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(methylaminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2015-08-20 | | 公開日 | 2015-10-28 | | 最終更新日 | 2015-11-25 | | 実験手法 | X-RAY DIFFRACTION (2.205 Å) | | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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2XGG
 | | Structure of Toxoplasma gondii Micronemal Protein 2 A_I Domain | | 分子名称: | GLYCEROL, MICRONEME PROTEIN 2 | | 著者 | Tonkin, M.L, Grujic, O, Pearce, M, Crawford, J, Boulanger, M.J. | | 登録日 | 2010-06-03 | | 公開日 | 2010-08-18 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure of the Micronemal Protein 2 (Mic2) A/I Domain from Toxoplasma Gondii.
Protein Sci., 19, 2010
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3LN0
 | | Structure of compound 5c-S bound at the active site of COX-2 | | 分子名称: | (2S)-6,8-dichloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Kiefer, J.R, Kurumbail, R.G, Stallings, W.C, Pawlitz, J.L. | | 登録日 | 2010-02-01 | | 公開日 | 2010-10-27 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
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3LFB
 | | Human p38 MAP Kinase in Complex with RL98 | | 分子名称: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(1,3-thiazol-2-yl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | 著者 | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | 登録日 | 2010-01-16 | | 公開日 | 2011-04-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
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5AA7
 | | Structural and functional characterization of a chitin-active 15.5 kDa lytic polysaccharide monooxygenase domain from a modular chitinase from Jonesia denitrificans | | 分子名称: | CHITINASE, COPPER (I) ION | | 著者 | Mekasha, S, Forsberg, Z, Dalhus, B, Choudhary, S, Schmidt-Dannert, C, Vaaje-Kolstad, G, Eijsink, V. | | 登録日 | 2015-07-23 | | 公開日 | 2015-12-09 | | 最終更新日 | 2017-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Structural and Functional Characterization of a Small Chitin-Active Lytic Polysaccharide Monooxygenase Domain of a Multi-Modular Chitinase from Jonesia Denitrificans.
FEBS Lett., 590, 2016
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4ZRT
 | | PTP1BC215S bound to Nephrin peptide substrate | | 分子名称: | CHLORIDE ION, GLY-PRO-LEU-PTR-ASP-GLU, GLYCEROL, ... | | 著者 | Selner, N.G, Bell, C.E, Pei, D. | | 登録日 | 2015-05-12 | | 公開日 | 2015-06-24 | | 最終更新日 | 2019-12-25 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Diverse levels of sequence selectivity and catalytic efficiency of protein-tyrosine phosphatases.
Biochemistry, 53, 2014
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3LFA
 | | Human p38 MAP Kinase in Complex with Dasatinib | | 分子名称: | Mitogen-activated protein kinase 14, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, octyl beta-D-glucopyranoside | | 著者 | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | 登録日 | 2010-01-16 | | 公開日 | 2011-04-20 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
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2YFI
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3MDV
 | | Clotrimazole complex of Cytochrome P450 46A1 | | 分子名称: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | | 登録日 | 2010-03-30 | | 公開日 | 2010-07-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain.
J.Biol.Chem., 285, 2010
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1MEC
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3UQR
 | | Crystal structure of BACE1 with its inhibitor | | 分子名称: | Beta-secretase 1, METHYL (2S)-1-[(2R,5S,8S,12S,13S)-2,13-DIBENZYL-12-HYDROXY-3,5-DIMETHYL-15-(3-[METHYL(METHYLSULFONYL)AMINO]-5-{[(1R)-1-PHENYLETHYL]CARBAMOYL}PHENYL)-8-(2-METHYLPROPYL)-4,7,10,15-TETRAOXO-3,6,9,14-TETRAAZAPENTADECAN-1-OYL]PYRROLIDINE-2-CARBOXYLATE | | 著者 | Chen, T.T, Chen, W.Y, Li, L, Xu, Y.C. | | 登録日 | 2011-11-21 | | 公開日 | 2012-11-21 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (3.056 Å) | | 主引用文献 | Cyanobacterial Peptides as a Prototype for the Design of Potent beta-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases
J.Med.Chem., 55, 2012
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5ADJ
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-(2-(Methylamino)ethyl)phenoxy)methyl)quinolin-2- amine | | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2015-08-20 | | 公開日 | 2015-10-28 | | 最終更新日 | 2015-11-25 | | 実験手法 | X-RAY DIFFRACTION (2.217 Å) | | 主引用文献 | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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3V5E
 | | Crystal structure of ClpP from Staphylococcus aureus in the active, extended conformation | | 分子名称: | ATP-dependent Clp protease proteolytic subunit | | 著者 | Gersch, M, List, A, Groll, M, Sieber, S. | | 登録日 | 2011-12-16 | | 公開日 | 2012-02-08 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Insights into structural network responsible for oligomerization and activity of bacterial virulence regulator caseinolytic protease P (ClpP) protein.
J.Biol.Chem., 287, 2012
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4N1L
 | | Crystal structures of NLRP14 pyrin domain reveal a conformational switch mechanism, regulating its molecular interactions | | 分子名称: | NACHT, LRR and PYD domains-containing protein 14 | | 著者 | Eibl, C, Hessenberger, M, Wenger, J, Brandstetter, H. | | 登録日 | 2013-10-04 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.986 Å) | | 主引用文献 | Structures of the NLRP14 pyrin domain reveal a conformational switch mechanism regulating its molecular interactions.
Acta Crystallogr.,Sect.D, 70, 2014
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3V5I
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2ZAW
 | | Crystal Structure of Ferric Cytochrome P450cam Reconstituted with 6-Methyl-6-depropionated Hemin | | 分子名称: | 6-METHY-6-DEPROPIONATEHEMIN, CAMPHOR, CHLORIDE ION, ... | | 著者 | Harada, K, Sakurai, K, Shimada, H, Tsukihara, T, Hayashi, T. | | 登録日 | 2007-10-11 | | 公開日 | 2008-01-01 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Evaluation of the functional role of the heme-6-propionate side chain in cytochrome P450cam
J.Am.Chem.Soc., 130, 2008
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