4PG3
 
 | | Crystal structure of KRS complexed with inhibitor | | 分子名称: | LYSINE, Lysine--tRNA ligase, cladosporin | | 著者 | Sharma, A, Yogavel, M, Khan, S, Sharma, A, Belrhali, H. | | 登録日 | 2014-05-01 | | 公開日 | 2014-07-16 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.696 Å) | | 主引用文献 | Structural basis of malaria parasite lysyl-tRNA synthetase inhibition by cladosporin.
J. Struct. Funct. Genomics, 15, 2014
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5C1B
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1CYO
 | | BOVINE CYTOCHROME B(5) | | 分子名称: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Durley, R.C.E, Mathews, F.S. | | 登録日 | 1994-08-03 | | 公開日 | 1994-11-30 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Refinement and structural analysis of bovine cytochrome b5 at 1.5 A resolution.
Acta Crystallogr.,Sect.D, 52, 1996
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4Y63
 | | AAGlyB in complex with amino-acid analogues | | 分子名称: | 5'-deoxy-5'-{[(2S)-2-(triaza-1,2-dien-2-ium-1-yl)propanoyl]amino}uridine, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | | 著者 | Wang, S, Cuesta-Seijo, J.A, Striebeck, A, Lafont, D, Palcic, M.M, Vidal, S. | | 登録日 | 2015-02-12 | | 公開日 | 2015-09-16 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Design of Glycosyltransferase Inhibitors: Serine Analogues as Pyrophosphate Surrogates?
Chempluschem, 80, 2015
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4YK0
 | | Crystal structure of the CBP bromodomain in complex with CPI098 | | 分子名称: | (4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one, 1,2-ETHANEDIOL, CREB-binding protein | | 著者 | Bellon, S.F, Jayaram, H. | | 登録日 | 2015-03-03 | | 公開日 | 2016-04-20 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Regulatory T Cell Modulation by CBP/EP300 Bromodomain Inhibition.
J.Biol.Chem., 291, 2016
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5CCM
 | | Crystal structure of SMYD3 with SAM and EPZ030456 | | 分子名称: | 6-chloranyl-2-oxidanylidene-N-[(1S,5R)-8-[4-[(phenylmethyl)amino]piperidin-1-yl]sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-1,3-dihydroindole-5-carboxamide, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ... | | 著者 | Boriack-Sjodin, P.A. | | 登録日 | 2015-07-02 | | 公開日 | 2015-09-09 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Novel Oxindole Sulfonamides and Sulfamides: EPZ031686, the First Orally Bioavailable Small Molecule SMYD3 Inhibitor.
Acs Med.Chem.Lett., 7, 2016
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6VN3
 | | USP7 IN COMPLEX WITH LIGAND COMPOUND 23 | | 分子名称: | 1-{[7-(5-chloro-2-{[(3R,4S)-4-fluoropyrrolidin-3-yl]oxy}-3-methylphenyl)thieno[3,2-b]pyridin-2-yl]methyl}-1H-pyrrole-2,5-dione, Ubiquitin carboxyl-terminal hydrolase 7 | | 著者 | Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M. | | 登録日 | 2020-01-29 | | 公開日 | 2020-04-29 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
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5CCH
 | | Structure of the Ca2+-bound synaptotagmin-1 SNARE complex (short unit cell form) | | 分子名称: | CALCIUM ION, Synaptosomal-associated protein 25, Synaptotagmin-1, ... | | 著者 | Zhou, Q, Zhao, M, Lyubimov, A.Y, Uervirojnangkoorn, M, Zeldin, O.B, Weis, W.I, Brunger, A.T. | | 登録日 | 2015-07-02 | | 公開日 | 2015-08-12 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.6 Å) | | 主引用文献 | Architecture of the synaptotagmin-SNARE machinery for neuronal exocytosis.
Nature, 525, 2015
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1CO6
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9KNG
 | | Crystal structure of human ERRg LBD in complex with 4034496 | | 分子名称: | 6-methyl-1,3-benzothiazole-2,4-diamine, Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1 | | 著者 | Xu, T, Wang, N, Liu, J. | | 登録日 | 2024-11-18 | | 公開日 | 2025-04-16 | | 最終更新日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Identification of indoles as potential endogenous ligands of ERR gamma and their modulation on drug binding.
Acta Pharmacol.Sin., 46, 2025
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4TV9
 | | Tubulin-PM060184 complex | | 分子名称: | (1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy l-L-valyl)amino]octa-1,6-dien-4-yl carbamate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | 著者 | Prota, A.E, Bargsten, K, Diaz, J.F, Marsh, M, Cuevas, C, Liniger, M, Neuhaus, C, Andreu, J.M, Altmann, K.H, Steinmetz, M.O. | | 登録日 | 2014-06-26 | | 公開日 | 2014-08-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
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6CJR
 | | Candida albicans Hsp90 nucleotide binding domain in complex with SNX-2112 | | 分子名称: | 1,2-ETHANEDIOL, 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein 90 homolog | | 著者 | Kirkpatrick, M.G, Pizarro, J.C. | | 登録日 | 2018-02-26 | | 公開日 | 2019-01-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structural basis for species-selective targeting of Hsp90 in a pathogenic fungus.
Nat Commun, 10, 2019
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9KNE
 | | Crystal structure of human ERRg LBD in complex with 5-nitroindole | | 分子名称: | 5-nitro-1H-indole, Estrogen-related receptor gamma, Nuclear receptor-interacting protein 1, ... | | 著者 | Xu, T, Wang, N, Liu, J. | | 登録日 | 2024-11-18 | | 公開日 | 2025-04-16 | | 最終更新日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification of indoles as potential endogenous ligands of ERR gamma and their modulation on drug binding.
Acta Pharmacol.Sin., 46, 2025
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6N94
 | | Methylmalonyl-CoA decarboxylase in complex with 2-nitronate-propionyl-amino(dethia)-CoA | | 分子名称: | DI(HYDROXYETHYL)ETHER, IMIDAZOLE, Methylmalonyl-CoA decarboxylase, ... | | 著者 | Stunkard, L.M, Dixon, A.D, Huth, T.J, Lohman, J.R. | | 登録日 | 2018-11-30 | | 公開日 | 2019-04-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies.
J. Am. Chem. Soc., 141, 2019
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5CNL
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5CNV
 | | Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to GDP and TTP at 3.20 Angstroms resolution | | 分子名称: | 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L. | | 登録日 | 2015-07-18 | | 公開日 | 2016-01-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
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4TZQ
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5BXC
 | | Crystal structure of GTA + UDP + DI | | 分子名称: | Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... | | 著者 | Gagnon, S. | | 登録日 | 2015-06-08 | | 公開日 | 2015-09-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
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5C6L
 | | Crystal Structure of Gadolinium derivative of HEWL solved using intense Free-Electron Laser radiation | | 分子名称: | 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ... | | 著者 | Galli, L, Barends, T.R.M, Son, S.-K, White, T.A, Barty, A, Botha, S, Boutet, S, Caleman, C, Doak, R.B, Nanao, M.H, Nass, K, Shoeman, R.L, Timneanu, N, Santra, R, Schlichting, I, Chapman, H.N. | | 登録日 | 2015-06-23 | | 公開日 | 2015-07-08 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Towards phasing using high X-ray intensity.
Iucrj, 2, 2015
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5C7N
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5A4C
 | | FGFR1 ligand complex | | 分子名称: | 1,2-ETHANEDIOL, 1-tert-butyl-3-[2-[3-(diethylamino)propylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, ... | | 著者 | Klein, T, Vajpai, N, Phillips, J.J, Davies, G, Holdgate, G.A, Phillips, C, Tucker, J.A, Norman, R.A, Scott, A.S, Higazi, D.R, Lowe, D, Thompson, G.S, Breeze, A.L. | | 登録日 | 2015-06-05 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Structural and Dynamic Insights Into the Energetics of Activation Loop Rearrangement in Fgfr1 Kinase.
Nat.Commun., 6, 2015
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4QBB
 | | Structure of the foot-and-mouth disease virus leader proteinase in complex with inhibitor (N~2~-[(3S)-4-({(2R)-1-[(4-CARBAMIMIDAMIDOBUTYL)AMINO]-4-METHYL-1-OXOPENTAN-2-YL}AMINO)-3-HYDROXY-4-OXOBUTANOYL]-L-ARGINYL-L-PROLINAMIDE) | | 分子名称: | Leader protease, N~2~-[(3S)-4-({(2R)-1-[(4-carbamimidamidobutyl)amino]-4-methyl-1-oxopentan-2-yl}amino)-3-hydroxy-4-oxobutanoyl]-L-arginyl-L-prolinamide, PHOSPHATE ION, ... | | 著者 | Grishkovskaya, I, Steinberger, J, Cencic, R, Juliano, M.A, Juliano, L, Skern, T. | | 登録日 | 2014-05-07 | | 公開日 | 2014-11-05 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Foot-and-mouth disease virus leader proteinase: Structural insights into the mechanism of intermolecular cleavage.
Virology, 468-470C, 2014
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4QDF
 | | Crystal structure of apo KshA5 and KshA1 in complex with 1,4-30Q-CoA from R. rhodochrous | | 分子名称: | 3-ketosteroid 9alpha-hydroxylase oxygenase, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | 著者 | Penfield, J, Worrall, L.J, Strynadka, N.C, Eltis, L.D. | | 登録日 | 2014-05-13 | | 公開日 | 2014-07-30 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | Substrate specificities and conformational flexibility of 3-ketosteroid 9 alpha-hydroxylases.
J.Biol.Chem., 289, 2014
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4QNP
 | | Crystal structure of the 2009 pandemic H1N1 influenza virus neuraminidase with a neutralizing antibody | | 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 | Wan, H.Q, Yang, H, Shore, D.A, Garten, R.J, Couzens, L, Gao, J, Jiang, L.L, Carney, P.J, Villanueva, J, Stevens, J, Eichelberger, M.C. | | 登録日 | 2014-06-18 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural characterization of a protective epitope spanning A(H1N1)pdm09 influenza virus neuraminidase monomers.
Nat Commun, 6, 2015
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4ANX
 | | Complexes of PI3Kgamma with isoform selective inhibitors. | | 分子名称: | 5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | | 著者 | Foster, P.G, Lougheed, J.C. | | 登録日 | 2012-03-22 | | 公開日 | 2012-05-09 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors
J.Med.Chem., 55, 2012
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