5M0Z
 
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6TUY
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5TVX
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6UNQ
 | | Kinase domain of ALK2-K493A with AMPPNP | | 分子名称: | Activin receptor type-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Agnew, C, Jura, N. | | 登録日 | 2019-10-13 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
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6UNR
 | | Kinase domain of ALK2-K492A/K493A with AMPPNP | | 分子名称: | Activin receptor type-1, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Agnew, C, Jura, N. | | 登録日 | 2019-10-13 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
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6LRZ
 | | Crystal structure of Keap1 in complex with dimethyl fumarate (DMF) | | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETATE ION, Keap1-DC, ... | | 著者 | Padmanabhan, B, Unni, S, Deshmukh, P. | | 登録日 | 2020-01-16 | | 公開日 | 2020-08-05 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Febs J., 288, 2021
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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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7EME
 | | Putative Leptospira interrogans recombinant L-amino acid oxidase | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)/FAD-dependent oxidoreductase | | 著者 | Vaigundan, D, Yuvaraj, I, Krishnaswamy, P.R, Sekar, K, Murthy, M.R.N, Sunita, P. | | 登録日 | 2021-04-13 | | 公開日 | 2021-08-18 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Structural characterization of a putative recombinant L-amino acid oxidase from Leptospira interrogans
Curr.Sci., 123, 2022
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6UNP
 | | Crystal structure of the kinase domain of BMPR2-D485G | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bone morphogenetic protein receptor type-2, ... | | 著者 | Agnew, C, Jura, N. | | 登録日 | 2019-10-13 | | 公開日 | 2021-07-07 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
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8P9B
 | | Crystal Structure of Mnk2-D228G in complex with Tinodasertib | | 分子名称: | 4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile, MAP kinase-interacting serine/threonine-protein kinase 2, ZINC ION | | 著者 | Turnbull, A.P, Sabin, V, Bell, C, Watson, M. | | 登録日 | 2023-06-05 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Crystal Structure of Mnk2-D228G in complex with Tinodasertib
To Be Published
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7DVK
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5M1Q
 | | Crystal structure of the large terminase nuclease from thermophilic phage G20c with bound Zinc | | 分子名称: | Phage terminase large subunit, ZINC ION | | 著者 | Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A. | | 登録日 | 2016-10-09 | | 公開日 | 2016-10-26 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism.
Nucleic Acids Res., 45, 2017
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5DZY
 | | Protocadherin beta 8 extracellular cadherin domains 1-4 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Pcdhb8 protein, ... | | 著者 | Goodman, K.M, Bahna, F, Mannepalli, S, Honig, B, Shapiro, L. | | 登録日 | 2015-09-26 | | 公開日 | 2016-05-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural Basis of Diverse Homophilic Recognition by Clustered alpha- and beta-Protocadherins.
Neuron, 90, 2016
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8PA4
 | | Crystal structure of the metallo-beta-lactamase VIM1 with 2526 | | 分子名称: | 3-[4-(carbamimidamidomethyl)-3-fluoranyl-phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | | 著者 | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | | 登録日 | 2023-06-07 | | 公開日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (1.11 Å) | | 主引用文献 | Crystal structure of the metallo-beta-lactamase VIM1 with 2526
To Be Published
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5TY8
 | | Identification of a New Zinc Binding Chemotype by Fragment Screening | | 分子名称: | (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | | 著者 | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | | 登録日 | 2016-11-18 | | 公開日 | 2017-08-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
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6UNS
 | | Kinase domain of ALK2-K492A/K493A with LDN-193189 | | 分子名称: | 4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline, Activin receptor type-1 | | 著者 | Agnew, C, Jura, N. | | 登録日 | 2019-10-13 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural basis for ALK2/BMPR2 receptor complex signaling through kinase domain oligomerization.
Nat Commun, 12, 2021
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6QJS
 | | Crystal structure of a DNA dodecamer containing a tetramethylpiperidinoxyl (nitroxide) spin label | | 分子名称: | COBALT HEXAMMINE(III), DNA (5'-D(P*GP*CP*AP*AP*AP*TP*TP*(S6M)P*GP*CP*G)-3') | | 著者 | Hardwick, J.S, Haugland, M.M, Ptchelkine, D, Brown, T, Anderson, E.E. | | 登録日 | 2019-01-24 | | 公開日 | 2020-02-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | 2'-Alkynyl spin-labelling is a minimally perturbing tool for DNA structural analysis.
Nucleic Acids Res., 48, 2020
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6M5M
 | | SPL-1 - GlcNAc complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, N-acetylglucosamine-specific lectin | | 著者 | Unno, H, Hatakeyama, T. | | 登録日 | 2020-03-11 | | 公開日 | 2020-06-10 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Novel carbohydrate-recognition mode of the invertebrate C-type lectin SPL-1 from Saxidomus purpuratus revealed by the GlcNAc-complex crystal in the presence of Ca2.
Acta Crystallogr.,Sect.F, 76, 2020
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5ESH
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73W mutant in complex with itraconazole | | 分子名称: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | | 登録日 | 2015-11-16 | | 公開日 | 2016-11-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
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7DVI
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5ESJ
 | | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G464S mutant complexed with fluconazole | | 分子名称: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C. | | 登録日 | 2015-11-16 | | 公開日 | 2016-11-23 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
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5IPE
 | | Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside thiophosphoramidate catalytic product complex | | 分子名称: | 1,2-ETHANEDIOL, 5'-S-phosphono-5'-thioguanosine, CHLORIDE ION, ... | | 著者 | Maize, K.M, Finzel, B.C. | | 登録日 | 2016-03-09 | | 公開日 | 2017-03-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Caught before Released: Structural Mapping of the Reaction Trajectory for the Sofosbuvir Activating Enzyme, Human Histidine Triad Nucleotide Binding Protein 1 (hHint1).
Biochemistry, 56, 2017
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5TXE
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6TXN
 | | Crystal structure of thermotoga maritima Ferritin in apo form | | 分子名称: | EICOSANE, Ferritin, GLYCEROL, ... | | 著者 | Wilk, P, Grudnik, P, Kumar, M, Heddle, J, Chakraborti, S. | | 登録日 | 2020-01-14 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | A single residue can modulate nanocage assembly in salt dependent ferritin.
Nanoscale, 13, 2021
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5M44
 | | Complex structure of human protein kinase CK2 catalytic subunit with a thieno[2,3-d]pyrimidin inhibitor crystallized under high-salt conditions | | 分子名称: | 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylpropanoic acid, CHLORIDE ION, Casein kinase II subunit alpha | | 著者 | Niefind, K, Bischoff, N, Yarmoluk, S.M, Bdzhola, V.G, Golub, A.G, Balanda, A.O, Prykhod'ko, A.O. | | 登録日 | 2016-10-18 | | 公開日 | 2017-01-18 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.71 Å) | | 主引用文献 | Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor.
Pharmaceuticals, 10, 2017
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