3RAI
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![BU of 3rai by Molmil](/molmil-images/mine/3rai) | CDK2 in complex with inhibitor KVR-1-160 | 分子名称: | 1,2-ETHANEDIOL, 4-{[3-(morpholin-4-yl)propyl]amino}-5-nitro-2-[(pyridin-3-ylmethyl)amino]benzamide, Cyclin-dependent kinase 2 | 著者 | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | 登録日 | 2011-03-28 | 公開日 | 2012-08-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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3R7Y
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![BU of 3r7y by Molmil](/molmil-images/mine/3r7y) | CDK2 in complex with inhibitor KVR-2-88 | 分子名称: | 1,2-ETHANEDIOL, 2-{[(2-aminopyrimidin-5-yl)methyl]amino}-4-(morpholin-4-yl)-5-nitrobenzamide, Cyclin-dependent kinase 2 | 著者 | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | 登録日 | 2011-03-23 | 公開日 | 2012-08-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Structure-guided optimization of novel CDK2 inhibitors discovered by high-throughput screening To be Published
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7B3E
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![BU of 7b3e by Molmil](/molmil-images/mine/7b3e) | Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | 分子名称: | 1,2-ETHANEDIOL, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CHLORIDE ION, ... | 著者 | Costanzi, E, Demitri, N, Giabbai, B, Storici, P. | 登録日 | 2020-11-30 | 公開日 | 2021-01-13 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Identification of Inhibitors of SARS-CoV-2 3CL-Pro Enzymatic Activity Using a Small Molecule in Vitro Repurposing Screen. Acs Pharmacol Transl Sci, 4, 2021
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5FBH
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![BU of 5fbh by Molmil](/molmil-images/mine/5fbh) | Crystal structure of the extracellular domain of human calcium sensing receptor with bound Gd3+ | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHLORIDE ION, ... | 著者 | Zhang, T, Zhang, C, Miller, C.L, Zou, J, Moremen, K.W, Brown, E.M, Yang, J.J, Hu, J. | 登録日 | 2015-12-14 | 公開日 | 2016-06-22 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist. Sci Adv, 2, 2016
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8OKL
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![BU of 8okl by Molmil](/molmil-images/mine/8okl) | Crystal structure of F2F-2020185-01X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-03-28 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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8OKK
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![BU of 8okk by Molmil](/molmil-images/mine/8okk) | Crystal structure of F2F-2020184-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-03-28 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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8OKM
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![BU of 8okm by Molmil](/molmil-images/mine/8okm) | Crystal structure of F2F-2020197-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-03-28 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | 主引用文献 | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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8OKN
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![BU of 8okn by Molmil](/molmil-images/mine/8okn) | Crystal structure of F2F-2020198-00X bound to the main protease (3CLpro/Mpro) of SARS-CoV-2. | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ... | 著者 | Costanzi, E, Demitri, N, Storici, P. | 登録日 | 2023-03-28 | 公開日 | 2023-05-03 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Broad-spectrum coronavirus 3C-like protease peptidomimetic inhibitors effectively block SARS-CoV-2 replication in cells: Design, synthesis, biological evaluation, and X-ray structure determination. Eur.J.Med.Chem., 253, 2023
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8OR9
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![BU of 8or9 by Molmil](/molmil-images/mine/8or9) | |
8ORA
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![BU of 8ora by Molmil](/molmil-images/mine/8ora) | Human holo aromatic L-amino acid decarboxylase (AADC) external aldimine with L-Dopa methylester | 分子名称: | Dopa decarboxylase (Aromatic L-amino acid decarboxylase), PYRIDOXAL-5'-PHOSPHATE, TETRAETHYLENE GLYCOL, ... | 著者 | Bisello, G, Perduca, M, Bertoldi, M. | 登録日 | 2023-04-13 | 公開日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Human aromatic amino acid decarboxylase is an asymmetric and flexible enzyme: Implication in aromatic amino acid decarboxylase deficiency. Protein Sci., 32, 2023
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5FBK
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![BU of 5fbk by Molmil](/molmil-images/mine/5fbk) | Crystal structure of the extracellular domain of human calcium sensing receptor | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHLORIDE ION, ... | 著者 | Zhang, T, Zhang, C, Miller, C.L, Zou, J, Moremen, K.W, Brown, E.M, Yang, J.J, Hu, J. | 登録日 | 2015-12-14 | 公開日 | 2016-06-22 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist. Sci Adv, 2, 2016
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8PMA
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![BU of 8pma by Molmil](/molmil-images/mine/8pma) | Crystal structure of human V30M transthyretin in complex with PITB (Pharmacokinetically Improved TTR Binder) | 分子名称: | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin | 著者 | Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D. | 登録日 | 2023-06-28 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | PITB: A high affinity transthyretin aggregation inhibitor with optimal pharmacokinetic properties. Eur.J.Med.Chem., 261, 2023
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8PMO
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![BU of 8pmo by Molmil](/molmil-images/mine/8pmo) | Crystal structure of human V122I transthyretin in complex with PITB (Pharmacokinetically Improved TTR Binder) | 分子名称: | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin | 著者 | Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D. | 登録日 | 2023-06-29 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.24 Å) | 主引用文献 | PITB: A high affinity transthyretin aggregation inhibitor with optimal pharmacokinetic properties. Eur.J.Med.Chem., 261, 2023
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8PM8
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![BU of 8pm8 by Molmil](/molmil-images/mine/8pm8) | V30M Transthyretin structure in complex with Tolcalpone | 分子名称: | Tolcapone, Transthyretin | 著者 | Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D. | 登録日 | 2023-06-28 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | PITB: A high affinity transthyretin aggregation inhibitor with optimal pharmacokinetic properties. Eur.J.Med.Chem., 261, 2023
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8PM9
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![BU of 8pm9 by Molmil](/molmil-images/mine/8pm9) | Crystal structure of human wild type transthyretin in complex with PITB (Pharmacokinetically Improved TTR Binder) | 分子名称: | (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone, Transthyretin | 著者 | Varejao, N, Pinheiro, F, Pallares, I, Ventura, S, Reverter, D. | 登録日 | 2023-06-28 | 公開日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | PITB: A high affinity transthyretin aggregation inhibitor with optimal pharmacokinetic properties. Eur.J.Med.Chem., 261, 2023
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4GHU
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![BU of 4ghu by Molmil](/molmil-images/mine/4ghu) | Crystal structure of TRAF3/Cardif | 分子名称: | Mitochondrial antiviral-signaling protein, TNF receptor-associated factor 3 | 著者 | Zhang, P. | 登録日 | 2012-08-08 | 公開日 | 2012-11-28 | 実験手法 | X-RAY DIFFRACTION (2.199 Å) | 主引用文献 | Single Amino Acid Substitutions Confer the Antiviral Activity of the TRAF3 Adaptor Protein onto TRAF5 Sci.Signal., 5, 2012
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4K7W
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![BU of 4k7w by Molmil](/molmil-images/mine/4k7w) | Crystal structure of Zn3-hUb(human ubiquitin) adduct from a solution 100 mM zinc acetate/1.3 mM hUb | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, ZINC ION, ... | 著者 | Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G. | 登録日 | 2013-04-17 | 公開日 | 2013-05-08 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Conformational selection of ubiquitin quaternary structures driven by zinc ions. Chemistry, 19, 2013
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4K7U
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![BU of 4k7u by Molmil](/molmil-images/mine/4k7u) | Crystal structure of Zn2.3-hUb (human ubiquitin) adduct from a solution 70 mM zinc acetate/1.3 mM hUb | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G. | 登録日 | 2013-04-17 | 公開日 | 2013-05-08 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Conformational selection of ubiquitin quaternary structures driven by zinc ions. Chemistry, 19, 2013
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4K7S
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![BU of 4k7s by Molmil](/molmil-images/mine/4k7s) | Crystal structure of Zn2-hUb (human ubiquitin) adduct from a solution 35 mM zinc acetate/1.3 mM hUb | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, ZINC ION, ... | 著者 | Fermani, S, Falini, G, Calvaresi, M, Bottoni, A, Arnesano, F, Natile, G. | 登録日 | 2013-04-17 | 公開日 | 2013-05-08 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Conformational selection of ubiquitin quaternary structures driven by zinc ions. Chemistry, 19, 2013
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7NHT
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![BU of 7nht by Molmil](/molmil-images/mine/7nht) | Akirin2 bound human proteasome | 分子名称: | Akirin-2, POTASSIUM ION, Proteasome subunit alpha type-1, ... | 著者 | Singh, K, Brunner, H, Grishkovskaya, I, de Almeida, M, Hinterndorfer, M, Zuber, J, Haselbach, D. | 登録日 | 2021-02-11 | 公開日 | 2021-09-01 | 最終更新日 | 2024-07-10 | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | 主引用文献 | AKIRIN2 controls the nuclear import of proteasomes in vertebrates. Nature, 599, 2021
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5WBX
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![BU of 5wbx by Molmil](/molmil-images/mine/5wbx) | |
5WC5
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![BU of 5wc5 by Molmil](/molmil-images/mine/5wc5) | |
6I9J
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![BU of 6i9j by Molmil](/molmil-images/mine/6i9j) | Human transforming growth factor beta2 in a tetragonal crystal form | 分子名称: | Transforming growth factor beta-2 proprotein | 著者 | Gomis-Ruth, F.X, Marino-Puertas, L, del Amo-Maestro, L, Goulas, T. | 登録日 | 2018-11-23 | 公開日 | 2019-07-03 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Recombinant production, purification, crystallization, and structure analysis of human transforming growth factor beta 2 in a new conformation. Sci Rep, 9, 2019
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8CSH
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![BU of 8csh by Molmil](/molmil-images/mine/8csh) | |
8CT1
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![BU of 8ct1 by Molmil](/molmil-images/mine/8ct1) | |