8BL5
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5FZQ
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5DR6
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![BU of 5dr6 by Molmil](/molmil-images/mine/5dr6) | Aurora A Kinase in Complex with AA30 and JNJ-7706621 in Space Group P6122 | 分子名称: | 2-(3-bromophenyl)quinoline-4-carboxylic acid, 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, Aurora kinase A | 著者 | Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R. | 登録日 | 2015-09-15 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.534 Å) | 主引用文献 | Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2. Sci Rep, 6, 2016
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3ZYH
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![BU of 3zyh by Molmil](/molmil-images/mine/3zyh) | CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH GALBG0 AT 1.5 A RESOLUTION | 分子名称: | 3-(beta-D-galactopyranosylthio)propanoic acid, CALCIUM ION, PA-I galactophilic lectin | 著者 | Kadam, R.U, Bergmann, M, Hurley, M, Garg, D, Cacciarini, M, Swiderska, M.A, Nativi, C, Sattler, M, Smyth, A.R, Williams, P, Camara, M, Stocker, A, Darbre, T, Reymond, J.-L. | 登録日 | 2011-08-23 | 公開日 | 2011-09-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.501 Å) | 主引用文献 | A Glycopeptide Dendrimer Inhibitor of the Galactose Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms Angew.Chem.Int.Ed.Engl., 50, 2011
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3ZYB
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![BU of 3zyb by Molmil](/molmil-images/mine/3zyb) | CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH GALAG0 AT 2.3 A RESOLUTION | 分子名称: | CALCIUM ION, GALA-LYS-PRO-LEUNH2, P-HYDROXYBENZOIC ACID, ... | 著者 | Kadam, R.U, Bergmann, M, Hurley, M, Garg, D, Cacciarini, M, Swiderska, M.A, Nativi, C, Sattler, M, Smyth, A.R, Williams, P, Camara, M, Stocker, A, Darbre, T, Reymond, J.-L. | 登録日 | 2011-08-19 | 公開日 | 2011-09-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | 主引用文献 | A Glycopeptide Dendrimer Inhibitor of the Galactose-Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms. Angew.Chem.Int.Ed.Engl., 50, 2011
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3ZYF
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![BU of 3zyf by Molmil](/molmil-images/mine/3zyf) | CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH NPG AT 1.9 A RESOLUTION | 分子名称: | 4-nitrophenyl beta-D-galactopyranoside, CALCIUM ION, PA-I GALACTOPHILIC LECTIN | 著者 | Kadam, R.U, Bergmann, M, Hurley, M, Garg, D, Cacciarini, M, Swiderska, M.A, Nativi, C, Sattler, M, Smyth, A.R, Williams, P, Camara, M, Stocker, A, Darbre, T, Reymond, J.-L. | 登録日 | 2011-08-22 | 公開日 | 2011-09-21 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.944 Å) | 主引用文献 | A Glycopeptide Dendrimer Inhibitor of the Galactose-Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms. Angew.Chem.Int.Ed.Engl., 50, 2011
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5DUD
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![BU of 5dud by Molmil](/molmil-images/mine/5dud) | Crystal structure of E. coli YbgJK | 分子名称: | YbgJ, YbgK | 著者 | Arbing, M.A, Kaufmann, M, Shin, A, Medrano-Soto, A, Cascio, D, Eisenberg, D. | 登録日 | 2015-09-18 | 公開日 | 2016-09-28 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Crystal Structure of E. coli YbgJK To Be Published
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8CQS
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![BU of 8cqs by Molmil](/molmil-images/mine/8cqs) | Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_0217) | 分子名称: | FLAVIN MONONUCLEOTIDE, Nitroreductase-like protein, PHOSPHATE ION | 著者 | Blaha, J, Gratzl, S, Mortensen, S.A, Beckham, K.S.H, Chojnowski, G, Wilmanns, M, Zimmermann, M. | 登録日 | 2023-03-07 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural insights into the diversity of nitroreductase enzymes in Bacteroides thetaiotaomicron To Be Published
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8CQT
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![BU of 8cqt by Molmil](/molmil-images/mine/8cqt) | Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_1316) | 分子名称: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, Putative NADH dehydrogenase/NAD(P)H nitroreductase | 著者 | Blaha, J, Adam, L, Beckham, K.S.H, Chojnowski, G, Wilmanns, M, Zimmermann, M. | 登録日 | 2023-03-07 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structural insights into the diversity of nitroreductase enzymes in Bacteroides thetaiotaomicron To Be Published
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8CQV
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![BU of 8cqv by Molmil](/molmil-images/mine/8cqv) | Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_3392) | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ... | 著者 | Blaha, J, Adam, L, Beckham, K.S.H, Chojnowski, G, Wilmanns, M, Zimmermann, M. | 登録日 | 2023-03-07 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural insights into the diversity of nitroreductase enzymes in Bacteroides thetaiotaomicron To Be Published
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8CQU
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![BU of 8cqu by Molmil](/molmil-images/mine/8cqu) | Flavin mononucleotide-dependent nitroreductase B.thetaiotaomicron (BT_1680) | 分子名称: | CITRIC ACID, Putative NADH dehydrogenase/NAD(P)H nitroreductase, TERTIARY-BUTYL ALCOHOL | 著者 | Blaha, J, Adam, L, Beckham, K.S.H, Chojnowski, G, Wilmanns, M, Zimmermann, M. | 登録日 | 2023-03-07 | 公開日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structural insights into the diversity of nitroreductase enzymes in Bacteroides thetaiotaomicron To Be Published
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6EHK
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![BU of 6ehk by Molmil](/molmil-images/mine/6ehk) | The crystal structure of CK2alpha in complex with CAM4712 and compound 37 | 分子名称: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine, 2-hydroxy-5-methylbenzoic acid, ACETATE ION, ... | 著者 | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | 登録日 | 2017-09-13 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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6EHU
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![BU of 6ehu by Molmil](/molmil-images/mine/6ehu) | The crystal structure of CK2alpha in complex with compound 32 | 分子名称: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha | 著者 | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | 登録日 | 2017-09-15 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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5OTH
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![BU of 5oth by Molmil](/molmil-images/mine/5oth) | The crystal structure of CK2alpha in complex with compound 26 | 分子名称: | ACETATE ION, Casein kinase II subunit alpha, DIMETHYL SULFOXIDE, ... | 著者 | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | 登録日 | 2017-08-22 | 公開日 | 2018-02-28 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
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1TUD
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5FZR
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5FZS
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7O4X
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4DPV
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![BU of 4dpv by Molmil](/molmil-images/mine/4dpv) | PARVOVIRUS/DNA COMPLEX | 分子名称: | DNA (5'-D(*AP*TP*AP*CP*CP*TP*CP*TP*TP*GP*C)-3'), MAGNESIUM ION, PROTEIN (PARVOVIRUS COAT PROTEIN) | 著者 | Chapman, M.S, Rossmann, M.G. | 登録日 | 1996-02-01 | 公開日 | 1997-04-01 | 最終更新日 | 2023-04-19 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Canine parvovirus capsid structure, analyzed at 2.9 A resolution. J.Mol.Biol., 264, 1996
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5OJQ
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![BU of 5ojq by Molmil](/molmil-images/mine/5ojq) | The modeled structure of of wild type extended type VI secretion system sheath/tube complex in vibrio cholerae based on cryo-EM reconstruction of the non-contractile sheath/tube complex | 分子名称: | Haemolysin co-regulated protein, Type VI secretion protein, VipA | 著者 | Wang, J, Brackmann, M, Castano-Diez, D, Kudryashev, M, Goldie, K, Maier, T, Stahlberg, H, Basler, M. | 登録日 | 2017-07-22 | 公開日 | 2017-08-09 | 最終更新日 | 2024-05-08 | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | 主引用文献 | Cryo-EM structure of the extended type VI secretion system sheath-tube complex. Nat Microbiol, 2, 2017
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6G1L
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![BU of 6g1l by Molmil](/molmil-images/mine/6g1l) | MITF/CLEARbox structure | 分子名称: | CLEAR-box, Microphthalmia-associated transcription factor | 著者 | Pogenberg, V, Wilmanns, M. | 登録日 | 2018-03-21 | 公開日 | 2019-02-06 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | MITF has a central role in regulating starvation-induced autophagy in melanoma. Sci Rep, 9, 2019
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5OD7
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![BU of 5od7 by Molmil](/molmil-images/mine/5od7) | Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time | 分子名称: | Heat shock protein HSP 90-alpha, [2-azanyl-6-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]quinazolin-4-yl]-(1,3-dihydroisoindol-2-yl)methanone | 著者 | Schuetz, D.A, Richter, L, Amaral, M, Grandits, M, Musil, D, Graedler, U, Buchstaller, H.-P, Eggenweiler, H.-M, Frech, M, Ecker, G.F, Lehmann, M. | 登録日 | 2017-07-04 | 公開日 | 2018-11-21 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Ligand Desolvation Steers On-Rate and Impacts Drug Residence Time of Heat Shock Protein 90 (Hsp90) Inhibitors. J.Med.Chem., 61, 2018
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7OCV
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![BU of 7ocv by Molmil](/molmil-images/mine/7ocv) | Human TNKS1 in complex with 3-[4-(1-Hydroxy-1-methyl-ethyl)-phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one | 分子名称: | 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one, ACETATE ION, Poly [ADP-ribose] polymerase, ... | 著者 | Musil, D, Lehmann, M, Buchstaller, H.-P. | 登録日 | 2021-04-28 | 公開日 | 2021-07-28 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.432 Å) | 主引用文献 | Optimization of a Screening Hit toward M2912, an Oral Tankyrase Inhibitor with Antitumor Activity in Colorectal Cancer Models. J.Med.Chem., 64, 2021
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6FF6
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![BU of 6ff6 by Molmil](/molmil-images/mine/6ff6) | Crystal structure of novel repeat protein BRIC1 | 分子名称: | BRIC1 | 著者 | ElGamacy, M, Coles, M, Ernst, P, Zhu, H, Hartmann, M.D, Plueckthun, A, Lupas, A.N. | 登録日 | 2018-01-03 | 公開日 | 2018-09-05 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | An Interface-Driven Design Strategy Yields a Novel, Corrugated Protein Architecture. ACS Synth Biol, 7, 2018
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5OGI
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![BU of 5ogi by Molmil](/molmil-images/mine/5ogi) | Complex of a binding protein and human adenovirus C 5 hexon | 分子名称: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | 著者 | Schmid, M, Ernst, P, Honegger, A, Suomalainen, M, Zimmermann, M, Braun, L, Stauffer, S, Thom, C, Dreier, B, Eibauer, M, Kipar, A, Vogel, V, Greber, U.F, Medalia, O, Plueckthun, A. | 登録日 | 2017-07-13 | 公開日 | 2018-02-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Adenoviral vector with shield and adapter increases tumor specificity and escapes liver and immune control. Nat Commun, 9, 2018
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