4V1S
 
 | | Structure of the GH76 alpha-mannanase BT2949 from Bacteroides thetaiotaomicron | | 分子名称: | ALPHA-1,6-MANNANASE, GLYCEROL | | 著者 | Thompson, A.J, Cuskin, F, Spears, R.J, Dabin, J, Turkenburg, J.P, Gilbert, H.J, Davies, G.J. | | 登録日 | 2014-10-02 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure of the Gh76 Alpha-Mannanase Homolog, Bt2949, from the Gut Symbiont Bacteroides Thetaiotaomicron
Acta Crystallogr.,Sect.D, 71, 2015
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4UWL
 | | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | | 分子名称: | (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION | | 著者 | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | | 登録日 | 2014-08-12 | | 公開日 | 2014-11-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
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4UWK
 | | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | | 分子名称: | (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one, GLYCEROL, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, ... | | 著者 | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | | 登録日 | 2014-08-12 | | 公開日 | 2014-11-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.83 Å) | | 主引用文献 | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
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4PJE
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5A3N
 | | Crystal structure of human PLU-1 (JARID1B) in complex with KDOAM25a | | 分子名称: | 1,2-ETHANEDIOL, 2-[[[2-[2-(dimethylamino)ethyl-ethyl-amino]-2-oxidanylidene-ethyl]amino]methyl]pyridine-4-carboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Srikannathasan, V, Johansson, C, Gileadi, C, Nuzzi, A, Ruda, G.F, Kopec, J, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Brennan, P, Oppermann, U. | | 登録日 | 2015-06-02 | | 公開日 | 2015-07-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Potent and Selective KDM5 Inhibitor Stops Cellular Demethylation of H3K4me3 at Transcription Start Sites and Proliferation of MM1S Myeloma Cells.
Cell Chem Biol, 24, 2017
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5I23
 | | Crystal Structure of Agd31B, alpha-transglucosylase in Glycoside Hydrolase Family 31, in complex with Cyclophellitol Aziridine probe CF022 | | 分子名称: | 1,2-ETHANEDIOL, 1-(8-{[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium, Oligosaccharide 4-alpha-D-glucosyltransferase, ... | | 著者 | Wu, L, Davies, G.J. | | 登録日 | 2016-02-08 | | 公開日 | 2016-05-04 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Detection of Active Mammalian GH31 alpha-Glucosidases in Health and Disease Using In-Class, Broad-Spectrum Activity-Based Probes.
Acs Cent.Sci., 2, 2016
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5I2O
 | | Structure of EF-hand containing protein | | 分子名称: | CALCIUM ION, EF-hand domain-containing protein D2 | | 著者 | Park, K.R, Kwon, M.S, An, J.Y, Lee, J.G, Youn, H.S, Lee, Y, Kang, J.Y, Kim, T.G, Lim, J.J, Park, J.S, Lee, S.H, Song, W.K, Cheong, H, Jun, C, Eom, S.H. | | 登録日 | 2016-02-09 | | 公開日 | 2016-12-28 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.952 Å) | | 主引用文献 | Structural implications of Ca(2+)-dependent actin-bundling function of human EFhd2/Swiprosin-1.
Sci Rep, 6, 2016
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5A0R
 | | Product peptide-bound structure of metalloprotease Zmp1 variant E143A from Clostridium difficile | | 分子名称: | GLYCEROL, PRODUCT PEPTIDE, ZINC ION, ... | | 著者 | Schacherl, M, Pichlo, C, Neundorf, I, Baumann, U. | | 登録日 | 2015-04-22 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.251 Å) | | 主引用文献 | Structural Basis of Proline-Proline Peptide Bond Specificity of the Metalloprotease Zmp1 Implicated in Motility of Clostridium Difficile.
Structure, 23, 2015
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4ZUS
 | | Crystal structure of Equine MHC I(Eqca-N*00602) in complexed with equine infectious anaemia virus (EIAV) derived peptide REV-QW11 | | 分子名称: | Beta-2-microglobulin, Classical MHC class I antigen, GLN-ALA-GLU-VAL-LEU-GLN-GLU-ARG-LEU-GLU-TRP | | 著者 | Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C. | | 登録日 | 2015-05-17 | | 公開日 | 2016-04-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles
J Immunol., 196, 2016
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4PNQ
 | | Crystal Structure of human Tankyrase 2 in complex with 5AIQ. | | 分子名称: | 5-aminoisoquinolin-1(4H)-one, ISOPROPYL ALCOHOL, Tankyrase-2, ... | | 著者 | Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y. | | 登録日 | 2014-05-24 | | 公開日 | 2014-10-15 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
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4ZUW
 | | Crystal structure of Equine MHC I(Eqca-N*00601) in complexed with equine infectious anaemia virus (EIAV) derived peptide Gag-GW12 | | 分子名称: | Beta-2-microglobulin, Classical MHC class I antigen, GLY-SER-GLN-LYS-LEU-THR-THR-GLY-ASN-CYS-ASN-TRP | | 著者 | Yao, S, Liu, J, Qi, J, Chen, R, Zhang, N, Liu, Y, Xia, C. | | 登録日 | 2015-05-17 | | 公開日 | 2016-04-06 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structural Illumination of Equine MHC Class I Molecules Highlights Unconventional Epitope Presentation Manner That Is Evolved in Equine Leukocyte Antigen Alleles
J Immunol., 196, 2016
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5IAA
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4UYD
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-dimethyl-2-oxo-2,3- dihydro-1H-1,3-benzodiazole-5-carboxamide | | 分子名称: | 1,2-ETHANEDIOL, 1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxamide, BROMODOMAIN-CONTAINING PROTEIN 4, ... | | 著者 | Chung, C, Bamborough, P, Demont, E. | | 登録日 | 2014-08-30 | | 公開日 | 2014-09-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.37 Å) | | 主引用文献 | 1,3-Dimethyl Benzimidazolones are Potent, Selective Inhibitors of the Brpf1 Bromodomain.
Acs Med.Chem.Lett., 5, 2014
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4PP5
 | | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 5-methyl UAB30 and the coactivator peptide GRIP-1 | | 分子名称: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(5-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | 著者 | Xia, G, Smith, C.D, Muccio, D.D. | | 登録日 | 2014-02-26 | | 公開日 | 2014-06-18 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.
J.Med.Chem., 57, 2014
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4ZZJ
 | | SIRT1/Activator/Substrate Complex | | 分子名称: | (3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide, Ac-p53, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | 著者 | Dai, H. | | 登録日 | 2015-05-22 | | 公開日 | 2015-07-15 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.7403 Å) | | 主引用文献 | Crystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Nat Commun, 6, 2015
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4PJA
 | | Structure of human MR1-5-OP-RU in complex with human MAIT B-B10 TCR | | 分子名称: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, GLYCEROL, ... | | 著者 | Birkinshaw, R.W, Rossjohn, J. | | 登録日 | 2014-05-12 | | 公開日 | 2014-07-02 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | A molecular basis underpinning the T cell receptor heterogeneity of mucosal-associated invariant T cells.
J.Exp.Med., 211, 2014
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5A34
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5A6R
 | | Crystal structure of the BTB domain of human KCTD17 | | 分子名称: | BTB/POZ DOMAIN-CONTAINING PROTEIN KCTD17 | | 著者 | Pinkas, D.M, Sorrell, F, Sanvitale, C.E, Goubin, S, Williams, E, Newman, J.A, Pearce, N.M, Neshich, I, Pike, A.C.W, MacKenzie, A, Quigley, A, Faust, B, Carpenter, E.P, Tallant, C, Kopec, J, Chalk, R, Krojer, T, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | 登録日 | 2015-06-30 | | 公開日 | 2015-11-04 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Structural complexity in the KCTD family of Cullin3-dependent E3 ubiquitin ligases.
Biochem. J., 474, 2017
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4URV
 | | The crystal structure of H-Ras and SOS in complex with ligands | | 分子名称: | 4-(4-BROMOPHENYL)PIPERIDIN-4-OL, FORMIC ACID, GTPASE HRAS, ... | | 著者 | Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G. | | 登録日 | 2014-07-02 | | 公開日 | 2015-03-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
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5AL2
 | | Crystal structure of TNKS2 in complex with 2-(4-(propan-2-yl)phenyl)- 1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | | 分子名称: | (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ... | | 著者 | Nkizinkiko, Y, Lehtio, L. | | 登録日 | 2015-03-06 | | 公開日 | 2015-07-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015
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4POH
 | | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 8-methyl UAB30 and the coactivator peptide GRIP-1 | | 分子名称: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(8-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | 著者 | Xia, G, Smith, C.D, Muccio, D.D. | | 登録日 | 2014-02-25 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.
J.Med.Chem., 57, 2014
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4UXQ
 | | FGFR4 in complex with Ponatinib | | 分子名称: | 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 4, SULFATE ION | | 著者 | Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A. | | 登録日 | 2014-08-27 | | 公開日 | 2014-12-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 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
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4PV8
 | | Crystal Structure of H2Kb-Q600F complex | | 分子名称: | ACETATE ION, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | 著者 | Twist, K.-A, Rossjohn, J, Gras, S. | | 登録日 | 2014-03-15 | | 公開日 | 2014-04-23 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.31 Å) | | 主引用文献 | Structural and functional correlates of enhanced antiviral immunity generated by heteroclitic CD8 T cell epitopes.
J.Immunol., 192, 2014
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4PP3
 | | Crystal structure of human Retinoid X Receptor alpha-ligand binding domain complex with 6-methyl UAB30 and the coactivator peptide GRIP-1 | | 分子名称: | (2E,4E,6Z,8E)-3,7-dimethyl-8-(6-methyl-3,4-dihydronaphthalen-1(2H)-ylidene)octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | 著者 | Xia, G, Smith, C.D, Muccio, D.D. | | 登録日 | 2014-02-26 | | 公開日 | 2014-06-18 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.
J.Med.Chem., 57, 2014
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4UYG
 | | C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) | | 分子名称: | 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, BROMODOMAIN-CONTAINING PROTEIN 2, SULFATE ION | | 著者 | Chung, C, Bamborough, P, Gosmini, R. | | 登録日 | 2014-08-31 | | 公開日 | 2014-10-08 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The Discovery of I-Bet726 (Gsk1324726A), a Potent Tetrahydroquinoline Apoa1 Up-Regulator and Selective Bet Bromodomain Inhibitor.
J.Med.Chem., 57, 2014
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