PDB: 45459 件ウェブページステータス検索Chemie searchBIRD

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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
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
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
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
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
4ZRZ	PlyCB mutant R66E 分子名称: PlyCB 著者 Gallagher, D.T, Nelson, D.C, Shen, Y. 登録日 2015-05-12 公開日 2016-09-14 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.72 Å) 主引用文献 A bacteriophage endolysin that eliminates intracellular streptococci. Elife, 5, 2016
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
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
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
7A1Y	KRASG12C GDP form in complex with Cpd2 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, 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 (2.004 Å) 主引用文献 KRAS G12C fragment screening renders new binding pockets. Small Gtpases, 13, 2022
5HD0	BACE-1 in complex with (7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-6-(5-fluoropyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium 分子名称: 3-{5-[(2E,4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID 著者 Orth, P. 登録日 2016-01-04 公開日 2016-03-16 最終更新日 2016-04-27 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates. J.Med.Chem., 59, 2016
5HDU	BACE-1 incomplex with (7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium 分子名称: 3-{5-[(2E,4aR,7aR)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID 著者 Orth, P. 登録日 2016-01-05 公開日 2016-03-16 最終更新日 2016-04-27 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates. J.Med.Chem., 59, 2016
5NBW	Crystal structure of the Fab fragment 22F12 in complex with 3-hydroxybenzo[a]pyrene 分子名称: Fab 22F12 (A,B), Fab 22F12 (L,H), benzo[a]pyren-3-ol 著者 Skerra, A, Eichinger, A. 登録日 2017-03-02 公開日 2017-06-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Tight Molecular Recognition of Benzo[a]pyrene by a High-Affinity Antibody. Angew. Chem. Int. Ed. Engl., 56, 2017
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
4ZYD	Crystal structure of Sulfolobus solfataricus O6-methylguanine methyltransferase in complex with modified DNA 分子名称: DNA (5'-D(*GP*CP*CP*AP*TP*GP*(6OG)P*CP*TP*AP*GP*TP*A)-3'), DNA (5'-D(*TP*AP*CP*TP*AP*GP*CP*CP*AP*TP*GP*GP*C)-3'), Methylated-DNA--protein-cysteine methyltransferase 著者 Miggiano, R, Rossi, F, Rizzi, M. 登録日 2015-05-21 公開日 2015-08-12 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.682 Å) 主引用文献 Structure-function relationships governing activity and stability of a DNA alkylation damage repair thermostable protein. Nucleic Acids Res., 43, 2015
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
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
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
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
5HTF	Crystal Structure of PrsA1 from Listeria monocytogenes 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Foldase protein PrsA 1 著者 Prehna, G, Cahoon, L.A, Freitag, N.E. 登録日 2016-01-26 公開日 2016-04-06 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 A structural comparison of Listeria monocytogenes protein chaperones PrsA1 and PrsA2 reveals molecular features required for virulence. Mol.Microbiol., 101, 2016
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
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
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
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
6HZ2	SOLUTION NMR STRUCTURE OF MAXIMIN 3 IN 50% TRIFLUOROETHANOL 分子名称: Maximins 3/H11 type 2 著者 Benetti, S, Timmons, P.B, Hewage, C.M. 登録日 2018-10-22 公開日 2019-02-20 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 NMR model structure of the antimicrobial peptide maximin 3. Eur.Biophys.J., 48, 2019

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