5DOX
| Crystal structure of the Thermus thermophilus 70S ribosome in complex with Hygromycin-A at 3.1A resolution | 分子名称: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | 著者 | Polikanov, Y.S, Starosta, A.L, Juette, M.F, Altman, R.B, Terry, D.S, Lu, W, Burnett, B.J, Dinos, G, Reynolds, K, Blanchard, S.C, Steitz, T.A, Wilson, D.N. | 登録日 | 2015-09-11 | 公開日 | 2015-12-30 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Distinct tRNA Accommodation Intermediates Observed on the Ribosome with the Antibiotics Hygromycin A and A201A. Mol.Cell, 58, 2015
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1INV
| A SIALIC ACID DERIVED PHOSPHONATE ANALOG INHIBITS DIFFERENT STRAINS OF INFLUENZA VIRUS NEURAMINIDASE WITH DIFFERENT EFFICIENCIES | 分子名称: | (1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | White, C.L, Janakiraman, M.N, Laver, W.G, Philippon, C, Vasella, A, Air, G.M, Luo, M. | 登録日 | 1994-09-26 | 公開日 | 1995-02-07 | 最終更新日 | 2024-11-06 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | A sialic acid-derived phosphonate analog inhibits different strains of influenza virus neuraminidase with different efficiencies. J.Mol.Biol., 245, 1995
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4UWG
| 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-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-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 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-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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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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4UWH
| 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)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SODIUM 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 (1.93 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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9EZG
| Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((4-((2-aminoethyl)(ethyl)amino)-3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | 分子名称: | 1,2-ETHANEDIOL, 5-[[4-[2-azanylethyl(ethyl)amino]-3-(1,2,4-triazol-4-yl)phenyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ... | 著者 | Kraemer, A, Ong, H.W, Yang, X, Brown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2024-04-12 | 公開日 | 2024-07-31 | 最終更新日 | 2024-08-07 | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | 主引用文献 | More than an Amide Bioisostere: Discovery of 1,2,4-Triazole-containing Pyrazolo[1,5- a ]pyrimidine Host CSNK2 Inhibitors for Combatting beta-Coronavirus Replication. J.Med.Chem., 67, 2024
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4OT5
| Crystal structure of BTK kinase domain complexed with 4-tert-Butyl-N-(3-{8-[4-(4-methyl-piperazine-1-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-benzamide | 分子名称: | 4-tert-butyl-N-{3-[8-({4-[(4-methylpiperazin-1-yl)carbonyl]phenyl}amino)imidazo[1,2-a]pyrazin-6-yl]phenyl}benzamide, DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK | 著者 | Kuglstatter, A, Wong, A. | 登録日 | 2014-02-13 | 公開日 | 2014-05-14 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Structure-Based Drug Design of RN486, a Potent and Selective Bruton's Tyrosine Kinase (BTK) Inhibitor, for the Treatment of Rheumatoid Arthritis. J.Med.Chem., 58, 2015
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4V5J
| Structure of the 70S ribosome bound to Release factor 2 and a substrate analog provides insights into catalysis of peptide release | 分子名称: | 16S Ribosomal RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ... | 著者 | Jin, H, Kelley, A.C, Loakes, D, Ramakrishnan, V. | 登録日 | 2010-03-24 | 公開日 | 2014-07-09 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structure of the 70S ribosome bound to release factor 2 and a substrate analog provides insights into catalysis of peptide release. Proc. Natl. Acad. Sci. U.S.A., 107, 2010
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5K9Q
| Crystal structure of multidonor HV1-18-class broadly neutralizing Influenza A antibody 16.a.26 in complex with A/Hong Kong/1-4-MA21-1/1968 (H3N2) Hemagglutinin | 分子名称: | 16.a.26 Heavy chain, 16.a.26 Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | 著者 | Joyce, M.G, Thomas, P.V, Wheatley, A.K, McDermott, A.B, Mascola, J.R, Kwong, P.D. | 登録日 | 2016-06-01 | 公開日 | 2016-11-30 | 最終更新日 | 2024-10-23 | 実験手法 | X-RAY DIFFRACTION (2.503 Å) | 主引用文献 | Vaccine-Induced Antibodies that Neutralize Group 1 and Group 2 Influenza A Viruses. Cell(Cambridge,Mass.), 166, 2016
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4W2F
| Crystal structure of the Thermus thermophilus 70S ribosome in complex with amicoumacin, mRNA and three deacylated tRNAs in the A, P and E sites | 分子名称: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ... | 著者 | Polikanov, Y.S, Osterman, I.A, Szal, T, Tashlitsky, V.N, Serebryakova, M.V, Kusochek, P, Bulkley, D, Malanicheva, I.A, Efimenko, T.A, Efremenkova, O.V, Konevega, A.L, Shaw, K.J, Bogdanov, A.A, Rodnina, M.V, Dontsova, O.A, Mankin, A.S, Steitz, T.A, Sergiev, P.V. | 登録日 | 2014-09-12 | 公開日 | 2014-10-15 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome. Mol.Cell, 56, 2014
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6DCF
| Crystal structure of a Mycobacterium smegmatis transcription initiation complex with Rifampicin-resistant RNA polymerase and bound to kanglemycin A | 分子名称: | 1,2-ETHANEDIOL, DNA (26-MER), DNA (31-MER), ... | 著者 | Lilic, M, Darst, S.A, Campbell, E.A. | 登録日 | 2018-05-06 | 公開日 | 2018-09-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.45 Å) | 主引用文献 | Rifamycin congeners kanglemycins are active against rifampicin-resistant bacteria via a distinct mechanism. Nat Commun, 9, 2018
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8SF3
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4UBD
| Crystal structure of a neutralizing human monoclonal antibody with 1968 H3 HA | 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, Hemagglutinin HA1 chain, ... | 著者 | Shore, D.A, Yang, H, Cho, M, Donis, R.O, Stevens, J. | 登録日 | 2014-08-12 | 公開日 | 2015-06-24 | 最終更新日 | 2024-11-13 | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | 主引用文献 | A potent broad-spectrum protective human monoclonal antibody crosslinking two haemagglutinin monomers of influenza A virus. Nat Commun, 6, 2015
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6D3P
| Crystal structure of an exoribonuclease-resistant RNA from Sweet clover necrotic mosaic virus (SCNMV) | 分子名称: | IRIDIUM HEXAMMINE ION, RNA (45-MER) | 著者 | Steckelberg, A.-L, Akiyama, B.M, Costantino, D.A, Sit, T.L, Nix, J.C, Kieft, J.S. | 登録日 | 2018-04-16 | 公開日 | 2018-06-20 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | A folded viral noncoding RNA blocks host cell exoribonucleases through a conformationally dynamic RNA structure. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7P7M
| Complex I from E. coli, DDM/LMNG-purified, inhibited by Piericidin A, Open state | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, CALCIUM ION, EICOSANE, ... | 著者 | Kravchuk, V, Kampjut, D, Sazanov, L. | 登録日 | 2021-07-19 | 公開日 | 2022-09-21 | 最終更新日 | 2024-07-17 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | A universal coupling mechanism of respiratory complex I. Nature, 609, 2022
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7OY0
| Structure of human Spermine Oxidase in complex with a highly selective allosteric inhibitor | 分子名称: | 4-[(4-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-2-yl)amino]phenol, CHLORIDE ION, FAD-MDL72527 adduct, ... | 著者 | Impagliazzo, A, Thomsen, M, Johannsson, S, Krapp, S. | 登録日 | 2021-06-23 | 公開日 | 2022-07-13 | 最終更新日 | 2024-11-06 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Structure of human spermine oxidase in complex with a highly selective allosteric inhibitor. Commun Biol, 5, 2022
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7OLX
| MerTK kinase domain with type 1.5 inhibitor containing a tri-methyl pyrazole group | 分子名称: | CHLORIDE ION, Tyrosine-protein kinase Mer, ~{N}-[[3-[4-[(dimethylamino)methyl]phenyl]imidazo[1,2-a]pyridin-6-yl]methyl]-~{N}-methyl-5-[3-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyridin-2-yl]-1,3,4-oxadiazol-2-amine | 著者 | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | 登録日 | 2021-05-20 | 公開日 | 2021-09-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy. J.Med.Chem., 64, 2021
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7OLS
| MerTK kinase domain with type 1.5 inhibitor containing a di-methyl pyrazole group | 分子名称: | 5-[4-(1,5-dimethylpyrazol-4-yl)-2-methyl-phenyl]-~{N}-(imidazo[1,2-a]pyridin-6-ylmethyl)-~{N}-methyl-1,3,4-oxadiazol-2-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | 登録日 | 2021-05-20 | 公開日 | 2021-09-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy. J.Med.Chem., 64, 2021
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7OLV
| MerTK kinase domain with type 1.5 inhibitor containing a di-methyl, cyano pyrazole group | 分子名称: | 4-[4-[5-[imidazo[1,2-a]pyridin-6-ylmethyl(methyl)amino]-1,3,4-oxadiazol-2-yl]-3-methyl-phenyl]-2,5-dimethyl-pyrazole-3-carbonitrile, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Pflug, A, Schimpl, M, McCoull, W, Nissink, J.W.M, Winter-Holt, J. | 登録日 | 2021-05-20 | 公開日 | 2021-09-15 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | 主引用文献 | Optimization of an Imidazo[1,2- a ]pyridine Series to Afford Highly Selective Type I1/2 Dual Mer/Axl Kinase Inhibitors with In Vivo Efficacy. J.Med.Chem., 64, 2021
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6NUQ
| Stat3 Core in complex with compound SI109 | 分子名称: | Signal transducer and activator of transcription 3, [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name) | 著者 | Meagher, J.L, Stuckey, J.A. | 登録日 | 2019-02-01 | 公開日 | 2019-12-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | 主引用文献 | A Potent and Selective Small-Molecule Degrader of STAT3 Achieves Complete Tumor Regression In Vivo. Cancer Cell, 36, 2019
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1CM0
| CRYSTAL STRUCTURE OF THE PCAF/COENZYME-A COMPLEX | 分子名称: | COENZYME A, P300/CBP ASSOCIATING FACTOR | 著者 | Clements, A, Rojas, J.R, Trievel, R.C, Wang, L, Berger, S.L, Marmorstein, R. | 登録日 | 1999-05-12 | 公開日 | 1999-07-06 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of the histone acetyltransferase domain of the human PCAF transcriptional regulator bound to coenzyme A. EMBO J., 18, 1999
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6RQM
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7ZPG
| CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH LIGAND | 分子名称: | Monoglyceride lipase, [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromanyl-3-methoxy-phenyl)methanone | 著者 | Kemble, A, Hornsperger, B, Ruf, I, Richter, H, Benz, J, Kuhn, B, Heer, D, Wittwer, M, Engelhardt, B, Grether, U, Collin, L, Leibrock, L. | 登録日 | 2022-04-27 | 公開日 | 2022-09-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | 主引用文献 | A potent and selective inhibitor for the modulation of MAGL activity in the neurovasculature. Plos One, 17, 2022
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5L8Q
| Structure of deformed wing virus, a honeybee pathogen | 分子名称: | URIDINE-5'-MONOPHOSPHATE, VP1, VP2, ... | 著者 | Skubnik, K, Novacek, J, Fuzik, T, Pridal, A, Paxton, R, Plevka, P. | 登録日 | 2016-06-08 | 公開日 | 2017-03-29 | 最終更新日 | 2024-05-15 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | Structure of deformed wing virus, a major honey bee pathogen. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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