8S99
 
 | | Crystal structure of the TYK2 pseudokinase domain in complex with compound 11 | | 分子名称: | (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | | 登録日 | 2023-03-27 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
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5EZR
 | | Crystal Structure of PVX_084705 bound to compound | | 分子名称: | CHLORIDE ION, N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide, cGMP-dependent protein kinase, ... | | 著者 | El Bakkouri, M, Amani, M, Walker, J.R, Osborne, S, Large, J.M, Birchall, K, Bouloc, N, Smiljanic-Hurley, E, Wheldon, M, Harding, D.J, Merritt, A.T, Ansell, K.H, Coombs, P.J, Kettleborough, C.A, Stewart, B.L, Bowyer, P.W, Gutteridge, W.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Baker, D.A, Hui, R, Loppnau, P, Structural Genomics Consortium (SGC) | | 登録日 | 2015-11-26 | | 公開日 | 2017-05-10 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal Structure of PVX_084705 bound to compound
To Be Published
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5AYG
 | | Crystal Structure of the Human ROR gamma Ligand Binding Domain With 3g | | 分子名称: | 3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-yl-propanamide, Nuclear receptor ROR-gamma | | 著者 | Noguchi, M, Doi, S, Nomura, A, Kikuwaka, M, Murase, K, Hirata, K, Kamada, M, Adachi, T. | | 登録日 | 2015-08-20 | | 公開日 | 2016-03-02 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | SAR Exploration Guided by LE and Fsp(3): Discovery of a Selective and Orally Efficacious ROR gamma Inhibitor
Acs Med.Chem.Lett., 7, 2016
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8S9A
 | | Crystal structure of the TYK2 pseudokinase domain in complex with TAK-279 | | 分子名称: | (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | | 登録日 | 2023-03-27 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
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8S98
 | | Crystal structure of the TYK2 pseudokinase domain in complex with compound 8 | | 分子名称: | (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Non-receptor tyrosine-protein kinase TYK2 | | 著者 | Toms, A.V, Leit, S, Greenwood, J.R, Carriero, S, Mondal, S, Abel, R, Ashwell, M, Blanchette, H, Boyles, N, Cartwright, M, Collis, A, Feng, S, Ghanakota, P, Harriman, G.C, Hosagrahara, V, Kaila, N, Kapeller, R, Rafi, S, Romero, D.L, Tarantino, P, Timaniya, J, Wester, R.T, Westlin, W, Srivastava, B, Miao, W, Tummino, P, McElwee, J.J, Edmondson, S.D, Massee, C.E. | | 登録日 | 2023-03-27 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J.Med.Chem., 66, 2023
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8JHK
 | | Cryo-EM structure of the DOCK5/ELMO1 complex, focused on one protomer | | 分子名称: | Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1 | | 著者 | Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M. | | 登録日 | 2023-05-23 | | 公開日 | 2024-05-29 | | 最終更新日 | 2024-06-26 | | 実験手法 | ELECTRON MICROSCOPY (4.76 Å) | | 主引用文献 | RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state.
J.Biol.Chem., 2024
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5EYZ
 | | CRYSTAL STRUCTURE OF THE PTPN4 PDZ DOMAIN COMPLEXED WITH THE TAILORED PEPTIDE CYTO8-RETEV | | 分子名称: | CHLORIDE ION, CYTO8-RETEV, Tyrosine-protein phosphatase non-receptor type 4 | | 著者 | Maisonneuve, P, Vaney, M.C, Babault, B, Caillet-Saguy, C, Lafon, M, Delepierre, M, Cordier, F, Wolff, N. | | 登録日 | 2015-11-26 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Molecular Basis of the Interaction of the Human Protein Tyrosine Phosphatase Non-receptor Type 4 (PTPN4) with the Mitogen-activated Protein Kinase p38 gamma.
J.Biol.Chem., 291, 2016
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6UE6
 | | PWWP1 domain of NSD2 in complex with MR837 | | 分子名称: | 4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide, Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION | | 著者 | Liu, Y, Tempel, W, De Freitas, R.F, Schapira, M, Brown, P.J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2019-09-20 | | 公開日 | 2019-11-13 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Discovery of Small-Molecule Antagonists of the PWWP Domain of NSD2.
J.Med.Chem., 64, 2021
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5F7A
 | | Nitrite complex structure of copper nitrite reductase from Alcaligenes faecalis determined at 293 K | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION | | 著者 | Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Masuda, T, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E. | | 登録日 | 2015-12-07 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
Proc.Natl.Acad.Sci.USA, 113, 2016
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8AQH
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8AQ6
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8AQI
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6DHH
 | | RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.2 Angstrom resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K. | | 登録日 | 2018-05-20 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
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6UFJ
 | | Pistol ribozyme product crystal structure | | 分子名称: | MAGNESIUM ION, RNA (5'-R(*UP*CP*CP*AP*G)-3'), RNA (5'-R(*UP*CP*UP*GP*CP*UP*CP*UP*CP*(23G))-3'), ... | | 著者 | Teplova, M, Falschlunger, C, Krasheninina, O, Patel, D.J, Micura, R. | | 登録日 | 2019-09-24 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.645 Å) | | 主引用文献 | Crucial Roles of Two Hydrated Mg2+Ions in Reaction Catalysis of the Pistol Ribozyme.
Angew.Chem.Int.Ed.Engl., 59, 2020
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5EZ0
 | | CRYSTAL STRUCTURE OF THE PTPN4 PDZ DOMAIN COMPLEXED WITH THE PDZ BINDING MOTIF OF THE MITOGEN ACTIVATED PROTEIN KINASE P38GAMMA. | | 分子名称: | Mitogen-activated protein kinase 12, SULFATE ION, Tyrosine-protein phosphatase non-receptor type 4 | | 著者 | Maisonneuve, P, Vaney, M.C, Caillet-Saguy, C, Lafon, M, Delepierre, M, Cordier, F, Wolff, N. | | 登録日 | 2015-11-26 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Molecular Basis of the Interaction of the Human Protein Tyrosine Phosphatase Non-receptor Type 4 (PTPN4) with the Mitogen-activated Protein Kinase p38 gamma.
J.Biol.Chem., 291, 2016
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1JJA
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8RZL
 | | Sulfolobus acidocaldarius threads (0406) filament. | | 分子名称: | Sulfolobus acidocaldarius threads (0406) filament., alpha-D-mannopyranose, beta-D-glucopyranose-(1-4)-6-deoxy-6-sulfo-beta-D-glucopyranose-(1-3)-[alpha-D-mannopyranose-(1-4)][alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Isupov, M.N, Gaines, M, McLaren, M, Daum, B. | | 登録日 | 2024-02-12 | | 公開日 | 2024-05-01 | | 実験手法 | ELECTRON MICROSCOPY (2.65 Å) | | 主引用文献 | Sulfolobus acidocaldarius threads (0406) filament.
To Be Published
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6UEY
 | | Pistol ribozyme transition-state analog vanadate | | 分子名称: | MAGNESIUM ION, RNA (5'-R(*UP*CP*UP*GP*CP*UP*CP*UP*CP*(GVA)*UP*CP*CP*AP*A)-3'), RNA (50-MER) | | 著者 | Teplova, M, Falschlunger, C, Krasheninina, O, Patel, D.J, Micura, R. | | 登録日 | 2019-09-23 | | 公開日 | 2019-12-18 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Crucial Roles of Two Hydrated Mg2+Ions in Reaction Catalysis of the Pistol Ribozyme.
Angew.Chem.Int.Ed.Engl., 59, 2020
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5F7B
 | | Resting state structure of CuNiR form Alcaligenes faecalis determined at 293 K | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase | | 著者 | Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Masuda, T, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E. | | 登録日 | 2015-12-07 | | 公開日 | 2016-03-16 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.56 Å) | | 主引用文献 | Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
Proc.Natl.Acad.Sci.USA, 113, 2016
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5MOA
 | | ABA RECEPTOR FROM TOMATO, SlPYL1 | | 分子名称: | SlPYL1 | | 著者 | Moreno-Alvero, M, Yunta, C, Gonzalez-Guzman, M, Arbona, V, Granell, A, Martinez-Ripoll, M, Infantes, L, Rodriguez, P.L, Albert, A. | | 登録日 | 2016-12-14 | | 公開日 | 2017-08-02 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structure of Ligand-Bound Intermediates of Crop ABA Receptors Highlights PP2C as Necessary ABA Co-receptor.
Mol Plant, 10, 2017
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5FO0
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5FT5
 | | Crystal structure of the cysteine desulfurase CsdA (persulfurated) from Escherichia coli at 2.384 Angstroem resolution | | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, L(+)-TARTARIC ACID, ... | | 著者 | Fernandez, F.J, Arda, A, Lopez-Estepa, M, Aranda, J, Penya-Soler, E, Garces, F, Quintana, J.F, Round, A, Campos-Oliva, R, Bruix, M, Coll, M, Tunon, I, Jimenez-Barbero, J, Vega, M.C. | | 登録日 | 2016-01-11 | | 公開日 | 2016-11-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.384 Å) | | 主引用文献 | Mechanism of Sulfur Transfer Across Protein-Protein Interfaces: The Cysteine Desulfurase Model System
Acs Catalysis, 6, 2016
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8RW3
 | | Crystal Structure of Agd31B, alpha-transglucosylase, complexed with a non-covalent 1,2- Cyclophellitol aziridine | | 分子名称: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, 1,2-ETHANEDIOL, OXALATE ION, ... | | 著者 | Moran, E, Davies, G, Ofamn, T, Heming, J, Nin-Hill, A, Kullmer, F, Steneker, R, Klein, A, Bennett, M, Ruijgrok, G, Kok, K, Aerts, J, Van der Marel, G, Rovira, C, Artola, M, Codee, J, Overkleeft, H. | | 登録日 | 2024-02-02 | | 公開日 | 2024-05-15 | | 最終更新日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition.
Chemistry, 30, 2024
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6UCL
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5FOZ
 | | De novo structure of the binary mosquito larvicide BinAB at pH 10 | | 分子名称: | LARVICIDAL TOXIN PROTEIN, SODIUM ION, TOXIN | | 著者 | Colletier, J.P, Sawaya, M.R, Gingery, M, Rodriguez, J.A, Cascio, D, Brewster, A.S, Michels-Clark, T, Boutet, S, Williams, G.J, Messerschmidt, M, DePonte, D.P, Sierra, R.G, Laksmono, H, Koglin, J.E, Hunter, M.S, W Park, H, Uervirojnangkoorn, M, Bideshi, D.L, Brunger, A.T, Federici, B.A, Sauter, N.K, Eisenberg, D.S. | | 登録日 | 2015-11-26 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | De Novo Phasing with X-Ray Laser Reveals Mosquito Larvicide Binab Structure.
Nature, 539, 2016
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