5ETY
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![BU of 5ety by Molmil](/molmil-images/mine/5ety) | Crystal Structure of human Tankyrase-1 bound to K-756 | 分子名称: | 3-[[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]methyl]-1,4-dihydroquinazolin-2-one, Tankyrase-1, ZINC ION | 著者 | Takahashi, Y, Miyagi, H, Suzuki, M, Saito, J. | 登録日 | 2015-11-18 | 公開日 | 2016-06-22 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | The Discovery and Characterization of K-756, a Novel Wnt/ beta-Catenin Pathway Inhibitor Targeting Tankyrase Mol.Cancer Ther., 15, 2016
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6ST7
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![BU of 6st7 by Molmil](/molmil-images/mine/6st7) | Crystal Structure of Domain Swapped Trp Repressor V58I Variant with bound L-trp | 分子名称: | ISOPROPYL ALCOHOL, TRYPTOPHAN, Trp operon repressor | 著者 | Sprenger, J, Lawson, C.L, Carey, J, Drouard, F, von Wachenfeldt, C, Schulz, A, Linse, S, Lo Leggio, L. | 登録日 | 2019-09-10 | 公開日 | 2020-09-30 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal structures of Val58Ile tryptophan repressor in a domain-swapped array in the presence and absence of L-tryptophan. Acta Crystallogr.,Sect.F, 77, 2021
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6SCI
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![BU of 6sci by Molmil](/molmil-images/mine/6sci) | Structure of AdhE form 1 | 分子名称: | Aldehyde-alcohol dehydrogenase, FE (III) ION | 著者 | Lovering, A.L, Bragginton, E. | 登録日 | 2019-07-24 | 公開日 | 2020-08-26 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | High-resolution structure of the alcohol dehydrogenase domain of the bifunctional bacterial enzyme AdhE. Acta Crystallogr.,Sect.F, 76, 2020
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6HQY
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![BU of 6hqy by Molmil](/molmil-images/mine/6hqy) | Crystal structure of Schistosoma mansoni HDAC8 complexed with PCI-34051 | 分子名称: | 1-[(4-methoxyphenyl)methyl]-~{N}-oxidanyl-indole-6-carboxamide, GLYCEROL, Histone deacetylase, ... | 著者 | Marek, M, Shaik, T.B, Romier, C. | 登録日 | 2018-09-25 | 公開日 | 2018-10-31 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | 主引用文献 | Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61, 2018
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6HRW
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![BU of 6hrw by Molmil](/molmil-images/mine/6hrw) | EthR2 in complex with compound 1 (BDM14272) | 分子名称: | (1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one, Probable transcriptional regulatory protein | 著者 | Wintjens, R, Wohlkonig, A, Tanina, A. | 登録日 | 2018-09-28 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2. Eur J Med Chem, 167, 2019
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4ZRZ
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5F1R
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![BU of 5f1r by Molmil](/molmil-images/mine/5f1r) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (C10) | 分子名称: | (3~{R})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, Listeriolysin regulatory protein | 著者 | Begum, A, Grundstrom, C, Good, J.A.D, Andersson, C, ALmqvist, F, Johansson, J, Sauer, U.H, Sauer-Eriksson, A.E. | 登録日 | 2015-11-30 | 公開日 | 2016-03-16 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Attenuating Listeria monocytogenes Virulence by Targeting the Regulatory Protein PrfA. Cell Chem Biol, 23, 2016
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5H9F
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![BU of 5h9f by Molmil](/molmil-images/mine/5h9f) | Crystal structure of E. coli Cascade bound to a PAM-containing dsDNA target at 2.45 angstrom resolution. | 分子名称: | CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ... | 著者 | Hayes, R.P, Xiao, Y, Ding, F, van Erp, P.B.G, Rajashankar, K, Bailey, S, Wiedenheft, B, Ke, A. | 登録日 | 2015-12-28 | 公開日 | 2016-02-17 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural basis for promiscuous PAM recognition in type I-E Cascade from E. coli. Nature, 530, 2016
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7A1W
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![BU of 7a1w by Molmil](/molmil-images/mine/7a1w) | KRASG12C GDP form in complex with Cpd3 | 分子名称: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION, ... | 著者 | Mathieu, M, Steier, V. | 登録日 | 2020-08-14 | 公開日 | 2021-10-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | KRAS G12C fragment screening renders new binding pockets. Small Gtpases, 13, 2022
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7A1Y
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5HD0
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![BU of 5hd0 by Molmil](/molmil-images/mine/5hd0) | |
5HDU
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5NBW
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5NCJ
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![BU of 5ncj by Molmil](/molmil-images/mine/5ncj) | GriE in complex with manganese, succinate and (2S,4R)-5-hydroxyleucine | 分子名称: | (2S,4R)-5-hydroxyleucine, Leucine hydroxylase, MANGANESE (II) ION, ... | 著者 | Lukat, P, Blankenfeldt, W, Mueller, R. | 登録日 | 2017-03-05 | 公開日 | 2017-10-04 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.529 Å) | 主引用文献 | Biosynthesis of methyl-proline containing griselimycins, natural products with anti-tuberculosis activity. Chem Sci, 8, 2017
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4ZYD
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5NAD
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![BU of 5nad by Molmil](/molmil-images/mine/5nad) | TTK kinase domain in complex with BAY 1217389 | 分子名称: | BAY 1217389, Dual specificity protein kinase TTK | 著者 | Uitdehaag, J.C.M, Willemsen-Seegers, N, Sterrenburg, J.G, de Man, J, Buijsman, R.C, Zaman, G.J.R. | 登録日 | 2017-02-27 | 公開日 | 2017-05-31 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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5HM9
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![BU of 5hm9 by Molmil](/molmil-images/mine/5hm9) | Crystal structure of MamO protease domain from Magnetospirillum magneticum (apo form) | 分子名称: | MamO protease domain, poly(UNK) | 著者 | Hershey, D.M, Ren, X, Hurley, J.H, Komeili, A. | 登録日 | 2016-01-15 | 公開日 | 2016-03-23 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | MamO Is a Repurposed Serine Protease that Promotes Magnetite Biomineralization through Direct Transition Metal Binding in Magnetotactic Bacteria. Plos Biol., 14, 2016
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5HMA
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![BU of 5hma by Molmil](/molmil-images/mine/5hma) | Crystal structure of MamO protease domain from Magnetospirillum magneticum (Ni bound form) | 分子名称: | CHLORIDE ION, NICKEL (II) ION, Trypsin-like serine protease, ... | 著者 | Hershey, D.M, Ren, X, Hurley, J.H, Komeili, A. | 登録日 | 2016-01-15 | 公開日 | 2016-02-10 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | 主引用文献 | MamO Is a Repurposed Serine Protease that Promotes Magnetite Biomineralization through Direct Transition Metal Binding in Magnetotactic Bacteria. Plos Biol., 14, 2016
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6HBB
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![BU of 6hbb by Molmil](/molmil-images/mine/6hbb) | Crystal Structure of the small subunit-like domain 1 of CcmM from Synechococcus elongatus (strain PCC 7942) | 分子名称: | Carbon dioxide concentrating mechanism protein CcmM, SULFATE ION | 著者 | Wang, H, Yan, X, Aigner, H, Bracher, A, Nguyen, N.D, Hee, W.Y, Long, B.M, Price, G.D, Hartl, F.U, Hayer-Hartl, M. | 登録日 | 2018-08-10 | 公開日 | 2018-12-12 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Rubisco condensate formation by CcmM in beta-carboxysome biogenesis. Nature, 566, 2019
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5HTF
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6S41
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![BU of 6s41 by Molmil](/molmil-images/mine/6s41) | CRYSTAL STRUCTURE OF PXR IN COMPLEX WITH XPC-7455 | 分子名称: | 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide, Nuclear receptor subfamily 1 group I member 2 | 著者 | Focken, T, Maskos, K, Griessner, A, Krapp, S. | 登録日 | 2019-06-26 | 公開日 | 2019-10-02 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective NaV1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy. J.Med.Chem., 62, 2019
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5HY0
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![BU of 5hy0 by Molmil](/molmil-images/mine/5hy0) | orotic acid hydrolase | 分子名称: | GLYCEROL, Ring-opening amidohydrolase | 著者 | Peat, T.S, Balotra, S, Wilding, M, Newman, J, Scott, C. | 登録日 | 2016-02-01 | 公開日 | 2017-02-01 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | High-Resolution X-Ray Structures of Two Functionally Distinct Members of the Cyclic Amide Hydrolase Family of Toblerone Fold Enzymes. Appl. Environ. Microbiol., 83, 2017
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7ALX
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![BU of 7alx by Molmil](/molmil-images/mine/7alx) | Sav-SOD: Chimeric Streptavidin-cSOD as Host for Artificial Metalloenzymes | 分子名称: | ((4S)-1,3-dimesityl-4-((5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold, Streptavidin,Superoxide dismutase [Cu-Zn],Streptavidin | 著者 | Igareta, N.V, Christoffel, F, Peterson, R.L, Ward, T.R. | 登録日 | 2020-10-07 | 公開日 | 2021-07-14 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Design and evolution of chimeric streptavidin for protein-enabled dual gold catalysis Nat Catal, 4, 2021
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5O3X
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![BU of 5o3x by Molmil](/molmil-images/mine/5o3x) | Structural characterization of the fast and promiscuous macrocyclase from plant - apo PCY1 | 分子名称: | CACODYLATE ION, Peptide cyclase 1 | 著者 | Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H. | 登録日 | 2017-05-25 | 公開日 | 2018-02-07 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates. ACS Chem. Biol., 13, 2018
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6HZ2
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