8ERA
| RMC-5552 in complex with mTORC1 and FKBP12 | 分子名称: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | 著者 | Tomlinson, A.C.A, Yano, J.K. | 登録日 | 2022-10-11 | 公開日 | 2022-12-28 | 最終更新日 | 2024-06-19 | 実験手法 | ELECTRON MICROSCOPY (2.86 Å) | 主引用文献 | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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4WSH
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7MTC
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7MTD
| Structure of aged SARS-CoV-2 S2P spike at pH 7.4 | 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, Spike glycoprotein | 著者 | Tsybovsky, Y, Olia, A.S, Kwong, P.D. | 登録日 | 2021-05-13 | 公開日 | 2021-09-15 | 最終更新日 | 2021-10-13 | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | 主引用文献 | SARS-CoV-2 S2P spike ages through distinct states with altered immunogenicity. J.Biol.Chem., 297, 2021
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7MTE
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5NC5
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5N70
| CRYSTAL STRUCTURE OF MATURE CATHEPSIN D FROM THE TICK IXODES RICINUS (IRCD1) IN COMPLEX WITH THE N-TERMINAL OCTAPEPTIDE OF THE PROPEPTID | 分子名称: | ALA-PHE-ARG-ILE-PRO-LEU-THR-ARG, Putative cathepsin d | 著者 | Brynda, J, Hanova, I, Hobizalova, R, Mares, M. | 登録日 | 2017-02-17 | 公開日 | 2017-12-27 | 最終更新日 | 2018-03-28 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Novel Structural Mechanism of Allosteric Regulation of Aspartic Peptidases via an Evolutionarily Conserved Exosite. Cell Chem Biol, 25, 2018
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4TOT
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3KRK
| X-ray crystal structure of arachidonic acid bound in the cyclooxygenase channel of L531F murine COX-2 | 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, ACRYLIC ACID, ... | 著者 | Vecchio, A.J, Simmons, D.M, Malkowski, M.G. | 登録日 | 2009-11-18 | 公開日 | 2010-05-12 | 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 fatty acid substrate binding to cyclooxygenase-2. J.Biol.Chem., 285, 2010
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4TQK
| Structural basis of specific recognition of non-reducing terminal N-acetylglucosamine by an Agrocybe aegerita lection | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lectin 2 | 著者 | Hu, Y.L, Ren, X.M, Li, D.F, Jiang, S, Lan, X.Q, Sun, H, Wang, D.C. | 登録日 | 2014-06-11 | 公開日 | 2015-06-03 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural Basis of Specific Recognition of Non-Reducing Terminal N-Acetylglucosamine by an Agrocybe aegerita Lectin. Plos One, 10, 2015
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6IAH
| Phosphatase Tt82 from Thermococcus thioreducens | 分子名称: | CHLORIDE ION, Hydrolase, MAGNESIUM ION | 著者 | Havlickova, P, Brinsa, V, Brynda, J, Pachl, P, Prudnikova, T, Mesters, J.R, Kascakova, B, Kuty, M, Pusey, M.L, Ng, J.D, Rezacova, P, Smatanova, I.K. | 登録日 | 2018-11-26 | 公開日 | 2019-08-14 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | A novel structurally characterized haloacid dehalogenase superfamily phosphatase from Thermococcus thioreducens with diverse substrate specificity. Acta Crystallogr D Struct Biol, 75, 2019
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4X8R
| CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM Rhodobacter sphaeroides (Rsph17029_2138, TARGET EFI-510205) WITH BOUND Glucuronate | 分子名称: | PHOSPHATE ION, TRAP dicarboxylate transporter, DctP subunit, ... | 著者 | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2014-12-10 | 公開日 | 2014-12-24 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM Rhodobacter sphaeroides (Rsph17029_2138, TARGET EFI-510205) WITH BOUND Glucuronate To be published
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4X7I
| Crystal Structure of BACE with amino thiazine inhibitor LY2886721 | 分子名称: | Beta-secretase 1, GLYCEROL, N-{3-[(4aS,7aS)-2-amino-4a,5-dihydro-4H-furo[3,4-d][1,3]thiazin-7a(7H)-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide | 著者 | Timm, D.E. | 登録日 | 2014-12-09 | 公開日 | 2014-12-24 | 最終更新日 | 2017-11-22 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | The Potent BACE1 Inhibitor LY2886721 Elicits Robust Central A beta Pharmacodynamic Responses in Mice, Dogs, and Humans. J.Neurosci., 35, 2015
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7ARN
| Crystal Structure of the Fab Fragment of a Glycosylated Lymphoma Antibody | 分子名称: | Antibody Fab Fragment Heavy Chain, Antibody Fab Fragment Light Chain, GLYCEROL, ... | 著者 | Pryce, R, Allen, J.D, Watanabe, Y, Crispin, M, Bowden, T.A. | 登録日 | 2020-10-25 | 公開日 | 2021-11-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Crystal Structure of the Fab Fragment of a Glycosylated Lymphoma Antibody To Be Published
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5NAT
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7MQR
| The insulin receptor ectodomain in complex with four venom hybrid insulins - symmetric conformation | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ... | 著者 | Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C. | 登録日 | 2021-05-06 | 公開日 | 2022-03-16 | 最終更新日 | 2023-03-29 | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | 主引用文献 | Symmetric and asymmetric receptor conformation continuum induced by a new insulin. Nat.Chem.Biol., 18, 2022
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7ZCS
| Nitrite-bound MSOX movie series dataset 65 (52 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - water ligand (final) | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | 著者 | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | 登録日 | 2022-03-28 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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6RQN
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7ZCP
| Nitrite-bound MSOX movie series dataset 17 (13.6 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitric oxide (NO) intermediate | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | 著者 | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | 登録日 | 2022-03-28 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | 主引用文献 | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCR
| Nitrite-bound MSOX movie series dataset 38 (30.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - water ligand | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | 著者 | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | 登録日 | 2022-03-28 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCO
| Nitrite-bound MSOX movie series dataset 8 (6.4 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitrite/NO intermediate | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | 著者 | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | 登録日 | 2022-03-28 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCN
| Nitrite-bound MSOX movie series dataset 1 (0.8 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - nitrite (start) | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | 著者 | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | 登録日 | 2022-03-28 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | 主引用文献 | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7ZCQ
| Nitrite-bound MSOX movie series dataset 25 (20 MGy) of the copper nitrite reductase from Bradyrhizobium sp. ORS 375 (two-domain) - NO/water intermediate | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, GLYCEROL, ... | 著者 | Rose, S.L, Baba, S, Okumura, H, Antonyuk, S.V, Sasaki, D, Tosha, T, Kumasaka, T, Eady, R.R, Yamamoto, M, Hasnain, S.S. | 登録日 | 2022-03-28 | 公開日 | 2022-08-03 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Single crystal spectroscopy and multiple structures from one crystal (MSOX) define catalysis in copper nitrite reductases. Proc.Natl.Acad.Sci.USA, 119, 2022
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7JP2
| Crystal structure of TP0037 from Treponema pallidum, a D-lactate dehydrogenase | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, D-lactate dehydrogenase | 著者 | Brautigam, C.A, Deka, R.K, Norgard, M.V. | 登録日 | 2020-08-07 | 公開日 | 2020-09-09 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Biophysical and Biochemical Characterization of TP0037, a d-Lactate Dehydrogenase, Supports an Acetogenic Energy Conservation Pathway in Treponema pallidum. Mbio, 11, 2020
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5L03
| Crystal structure of 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE Synthase from BURKHOLDERIA PSEUDOMALLEI bound to L-tryptophan hydroxamate | 分子名称: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, N-hydroxy-L-tryptophanamide, ZINC ION | 著者 | Blain, J.M, Ghose, D, Gorman, J.L, Goshu, G.M, Ranieri, G, Zhao, L, Bode, B, Meganathan, R, Walter, R.L, Hagen, T.J, Horn, J.R. | 登録日 | 2016-07-26 | 公開日 | 2017-11-08 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.469 Å) | 主引用文献 | Synthesis and Characterization of the Burkholderia pseudomallei IspF Inhibitor L-tryptophan hydroxamate To Be Published
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