7BHH
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3L9M
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![BU of 3l9m by Molmil](/molmil-images/mine/3l9m) | Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 | 分子名称: | (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 著者 | Huang, X. | 登録日 | 2010-01-05 | 公開日 | 2011-01-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Azole-based inhibitors of AKT/PKB for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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3L9N
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![BU of 3l9n by Molmil](/molmil-images/mine/3l9n) | crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27 | 分子名称: | (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 著者 | Huang, X. | 登録日 | 2010-01-05 | 公開日 | 2011-01-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Azole-based inhibitors of AKT/PKB for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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3L9L
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![BU of 3l9l by Molmil](/molmil-images/mine/3l9l) | Crystal structure of pka with compound 36 | 分子名称: | 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | 著者 | Huang, X. | 登録日 | 2010-01-05 | 公開日 | 2011-01-19 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Azole-based inhibitors of AKT/PKB for the treatment of cancer. Bioorg.Med.Chem.Lett., 20, 2010
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7BFA
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7BG5
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6OUK
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6OUJ
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2B8N
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7E4R
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![BU of 7e4r by Molmil](/molmil-images/mine/7e4r) | Crystal structure of tubulin in complex with D-DM1-SMe | 分子名称: | (10E,12E)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(3-(methylsulfinothioyl)propanoyl)-D-alaninate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | 著者 | Wang, Y, Li, W. | 登録日 | 2021-02-15 | 公開日 | 2021-07-07 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.597 Å) | 主引用文献 | C3 ester side chain plays a pivotal role in the antitumor activity of Maytansinoids. Biochem.Biophys.Res.Commun., 566, 2021
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5WLT
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![BU of 5wlt by Molmil](/molmil-images/mine/5wlt) | Carbonic Anhydrase IX-mimic in complex with aryloxy-2-hydroxypropylammine sulfonamide | 分子名称: | 4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ... | 著者 | Lomelino, C.L, Andring, J.T, McKenna, R. | 登録日 | 2017-07-27 | 公開日 | 2018-08-01 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Discovery of beta-Adrenergic Receptors Blocker-Carbonic Anhydrase Inhibitor Hybrids for Multitargeted Antiglaucoma Therapy. J. Med. Chem., 61, 2018
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5Z80
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![BU of 5z80 by Molmil](/molmil-images/mine/5z80) | Solution structure for the 1:1 complex of a platinum(II)-based tripod bound to a hybrid-1 human telomeric G-quadruplex | 分子名称: | 4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]-N,N-bis[4-[1-(2,5,8-triazonia-1$l^4-platinabicyclo[3.3.0]octan-1-yl)pyridin-1-ium-4-yl]phenyl]aniline, G-quadruplex DNA (26-MER) | 著者 | Liu, W.T, Zhong, Y.F, Liu, L.Y, Zeng, W.J, Wang, F.Y, Yang, D.Z, Mao, Z.W. | 登録日 | 2018-01-30 | 公開日 | 2018-09-19 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structures of multiple G-quadruplex complexes induced by a platinum(II)-based tripod reveal dynamic binding Nat Commun, 9, 2018
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6OJT
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![BU of 6ojt by Molmil](/molmil-images/mine/6ojt) | Crystal structure of Sphingomonas paucimobilis TMY1009 LsdA phenylazophenol complex | 分子名称: | 4-Hydroxyazobenzene, FE (III) ION, Lignostilbene-alpha,beta-dioxygenase isozyme I | 著者 | Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D. | 登録日 | 2019-04-12 | 公開日 | 2019-07-24 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase. J.Biol.Chem., 294, 2019
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7WA2
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![BU of 7wa2 by Molmil](/molmil-images/mine/7wa2) | Crystal structure of Bovine Pancreatic Trypsin in complex with 4-Methoxybenzamidine at Room Temperature | 分子名称: | 4-methoxybenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... | 著者 | Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T. | 登録日 | 2021-12-11 | 公開日 | 2022-06-15 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | 主引用文献 | In situ crystal data-collection and ligand-screening system at SPring-8. Acta Crystallogr.,Sect.F, 78, 2022
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3G4W
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![BU of 3g4w by Molmil](/molmil-images/mine/3g4w) | Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chlorobenzene bound to the XE4 cavity | 分子名称: | CARBON MONOXIDE, GLOBIN-1, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E. | 登録日 | 2009-02-04 | 公開日 | 2009-12-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis. Structure, 17, 2009
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7VUB
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![BU of 7vub by Molmil](/molmil-images/mine/7vub) | Phloem lectin (PP2) complex with Nitrobenzene | 分子名称: | 1,2-ETHANEDIOL, NITROBENZENE, Phloem lectin | 著者 | Sivaji, N, Bobbili, K.B, Suguna, K, Surolia, A. | 登録日 | 2021-11-02 | 公開日 | 2023-03-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structure and interactions of the phloem lectin (phloem protein 2) Cus17 from Cucumis sativus. Structure, 31, 2023
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7VSY
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3G4Y
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![BU of 3g4y by Molmil](/molmil-images/mine/3g4y) | Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chloromethyl benzene bound to the XE4 cavity | 分子名称: | (chloromethyl)benzene, CARBON MONOXIDE, GLOBIN-1, ... | 著者 | Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E. | 登録日 | 2009-02-04 | 公開日 | 2009-12-01 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis. Structure, 17, 2009
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7FNA
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![BU of 7fna by Molmil](/molmil-images/mine/7fna) | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment P07A11 from the F2X-Universal Library | 分子名称: | 3-bromo-4-methoxy-N-methylbenzene-1-sulfonamide, A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | 著者 | Barthel, T, Wollenhaupt, J, Lima, G.M.A, Wahl, M.C, Weiss, M.S. | 登録日 | 2022-08-26 | 公開日 | 2022-11-02 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Large-Scale Crystallographic Fragment Screening Expedites Compound Optimization and Identifies Putative Protein-Protein Interaction Sites. J.Med.Chem., 65, 2022
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7VIJ
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![BU of 7vij by Molmil](/molmil-images/mine/7vij) | Crystal structure of USP7-HUBL domain | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7 | 著者 | Feng, N, Zeng, K.W. | 登録日 | 2021-09-27 | 公開日 | 2022-08-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Neuroinflammation inhibition by small-molecule targeting USP7 noncatalytic domain for neurodegenerative disease therapy. Sci Adv, 8, 2022
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5TWG
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5TWH
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7VOA
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7XPY
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![BU of 7xpy by Molmil](/molmil-images/mine/7xpy) | Crystal structure of USP7 in complex with its inhibitor | 分子名称: | Ubiquitin carboxyl-terminal hydrolase 7, [(3S,3aR,4R,6Z,9S,10E,11aR)-9-acetyloxy-6-(acetyloxymethyl)-3,10-dimethyl-2-oxidanylidene-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (E)-2-methyl-4-oxidanyl-but-2-enoate | 著者 | Feng, N, Zeng, K.W. | 登録日 | 2022-05-06 | 公開日 | 2022-08-24 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Neuroinflammation inhibition by small-molecule targeting USP7 noncatalytic domain for neurodegenerative disease therapy. Sci Adv, 8, 2022
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5V9L
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