6OVC
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![BU of 6ovc by Molmil](/molmil-images/mine/6ovc) | hMcl1 inhibitor complex | 分子名称: | (2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | 著者 | Poppe, L. | 登録日 | 2019-05-07 | 公開日 | 2019-05-22 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies. Cancer Discov, 8, 2018
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6SDG
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6ZK6
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![BU of 6zk6 by Molmil](/molmil-images/mine/6zk6) | Protein Phosphatase 1 (PP1) T320E mutant | 分子名称: | FE (III) ION, MANGANESE (II) ION, PHOSPHATE ION, ... | 著者 | Salvi, F, Barabas, O, Koehn, M. | 登録日 | 2020-06-29 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Towards Dissecting the Mechanism of Protein Phosphatase-1 Inhibition by Its C-Terminal Phosphorylation. Chembiochem, 22, 2021
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487D
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6AI6
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![BU of 6ai6 by Molmil](/molmil-images/mine/6ai6) | Crystal structure of SpCas9-NG | 分子名称: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), ... | 著者 | Nishimasu, H, Hirano, S, Ishitani, R, Nureki, O. | 登録日 | 2018-08-21 | 公開日 | 2018-10-31 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Engineered CRISPR-Cas9 nuclease with expanded targeting space Science, 361, 2018
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6OWN
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6YPE
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8JJC
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![BU of 8jjc by Molmil](/molmil-images/mine/8jjc) | Tubulin-Y62 | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine, CALCIUM ION, ... | 著者 | Yang, J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents. Eur.J.Med.Chem., 268, 2024
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8JJB
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![BU of 8jjb by Molmil](/molmil-images/mine/8jjb) | Crystal structure of T2R-TTL-Y61 complex | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Yang, J. | 登録日 | 2023-05-30 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Structure-based design and synthesis of BML284 derivatives: A novel class of colchicine-site noncovalent tubulin degradation agents. Eur.J.Med.Chem., 268, 2024
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6Q7P
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![BU of 6q7p by Molmil](/molmil-images/mine/6q7p) | Crystal structure of OE1.2 | 分子名称: | 1,2-ETHANEDIOL, 1-PHENYLETHANONE, MAGNESIUM ION, ... | 著者 | Levy, C.W. | 登録日 | 2018-12-13 | 公開日 | 2019-06-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism. Nature, 570, 2019
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6Q7R
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6Q7O
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![BU of 6q7o by Molmil](/molmil-images/mine/6q7o) | Crystal structure of OE1 | 分子名称: | CALCIUM ION, OE1 | 著者 | Levy, C.W. | 登録日 | 2018-12-13 | 公開日 | 2019-06-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism. Nature, 570, 2019
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6Q7N
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6Q7Q
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![BU of 6q7q by Molmil](/molmil-images/mine/6q7q) | Crystal structure of OE1.3 | 分子名称: | OE1.3 | 著者 | Levy, C.W. | 登録日 | 2018-12-13 | 公開日 | 2019-06-05 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism. Nature, 570, 2019
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6ZH0
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![BU of 6zh0 by Molmil](/molmil-images/mine/6zh0) | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | 分子名称: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(3-chlorophenyl)-2,2,2-trifluoroacetamide, ... | 著者 | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | 登録日 | 2020-06-20 | 公開日 | 2022-06-01 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia. Acs Chem.Biol., 16, 2021
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3ST7
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![BU of 3st7 by Molmil](/molmil-images/mine/3st7) | Crystal Structure of capsular polysaccharide assembling protein CapF from staphylococcus aureus | 分子名称: | Capsular polysaccharide synthesis enzyme Cap5F, GLYCEROL, ZINC ION | 著者 | Miyafusa, T, Tanaka, Y, Kuroda, M, Yao, M, Watanabe, M, Ohta, T, Tanaka, I, Caaveiro, J.M.M, Tsumoto, K. | 登録日 | 2011-07-09 | 公開日 | 2012-02-15 | 最終更新日 | 2023-12-06 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal structure of the enzyme CapF of Staphylococcus aureus reveals a unique architecture composed of two functional domains. Biochem.J., 443, 2012
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3QUG
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![BU of 3qug by Molmil](/molmil-images/mine/3qug) | Structure of heme transport protein IsdH-NEAT3 from S. aureus in complex with Gallium-porphyrin | 分子名称: | GLYCEROL, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING GA, ... | 著者 | Moriwaki, Y, Caaveiro, J.M.M, Tsumoto, K. | 登録日 | 2011-02-24 | 公開日 | 2011-03-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Molecular basis of recognition of antibacterial porphyrins by heme-transporter IsdH-NEAT3 of Staphylococcus aureus. Biochemistry, 50, 2011
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3QUH
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5M6A
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![BU of 5m6a by Molmil](/molmil-images/mine/5m6a) | Crystal structure of cardiotoxic Bence-Jones light chain dimer H9 | 分子名称: | Bence-Jones light chain, GLYCEROL, PHOSPHATE ION | 著者 | Oberti, L, Rognoni, P, Bacarizo, J, Bolognesi, M, Ricagno, S. | 登録日 | 2016-10-24 | 公開日 | 2017-11-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | 主引用文献 | Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity. Sci Rep, 7, 2017
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5MVG
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![BU of 5mvg by Molmil](/molmil-images/mine/5mvg) | Crystal structure of non-amyloidogenic light chain dimer M7 | 分子名称: | GLYCEROL, light chain dimer | 著者 | Oberti, L, Rognoni, P, Bacarizo, J, Bolognesi, M, Ricagno, S. | 登録日 | 2017-01-16 | 公開日 | 2017-12-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity. Sci Rep, 7, 2017
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5MTL
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![BU of 5mtl by Molmil](/molmil-images/mine/5mtl) | Crystal structure of an amyloidogenic light chain | 分子名称: | light chain dimer,IGL@ protein,IGL@ protein | 著者 | Oberti, L, Rognoni, P, Russo, R, Bacarizo, J, Bolognesi, M, Ricagno, S. | 登録日 | 2017-01-10 | 公開日 | 2017-12-13 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity. Sci Rep, 7, 2017
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1R42
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![BU of 1r42 by Molmil](/molmil-images/mine/1r42) | Native Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ZINC ION, ... | 著者 | Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W. | 登録日 | 2003-10-07 | 公開日 | 2004-02-03 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis. J.Biol.Chem., 279, 2004
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6T7Z
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![BU of 6t7z by Molmil](/molmil-images/mine/6t7z) | KEAP1 IN COMPLEX WITH COMPOUND 44 | 分子名称: | ACE-CYS-ASA-4FB-GLU-THR-GLY-GLU-CYS-NH2, ACETATE ION, Kelch-like ECH-associated protein 1 | 著者 | Colarusso, S. | 登録日 | 2019-10-23 | 公開日 | 2020-09-09 | 最終更新日 | 2024-06-26 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Optimization of linear and cyclic peptide inhibitors of KEAP1-NRF2 protein-protein interaction. Bioorg.Med.Chem., 28, 2020
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6T8P
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![BU of 6t8p by Molmil](/molmil-images/mine/6t8p) | HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide | 分子名称: | 1,2-ETHANEDIOL, 3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide, IODIDE ION, ... | 著者 | Blaesse, M, Venalainen, J. | 登録日 | 2019-10-24 | 公開日 | 2020-03-04 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
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5M76
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![BU of 5m76 by Molmil](/molmil-images/mine/5m76) | Crystal structure of cardiotoxic Bence-Jones light chain dimer H10 | 分子名称: | BROMIDE ION, light chain dimer | 著者 | Oberti, L, Rognoni, P, Bacarizo, J, Bolognesi, M, Ricagno, S. | 登録日 | 2016-10-26 | 公開日 | 2017-11-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Concurrent structural and biophysical traits link with immunoglobulin light chains amyloid propensity. Sci Rep, 7, 2017
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