PDB: 30867 件ウェブページステータス検索Chemie searchBIRD

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6Q2V	Crystal structure of SPOC domain of human PHD-finger protein 3 (PHF3) 分子名称: GLYCEROL, PHD finger protein 3 著者 Grishkovskaya, I, Slade, D, Djinovic-Carugo, K. 登録日 2018-12-03 公開日 2020-07-15 最終更新日 2021-10-27 実験手法 X-RAY DIFFRACTION (2.594 Å) 主引用文献 PHF3 regulates neuronal gene expression through the Pol II CTD reader domain SPOC Nat Commun, 12, 2021
7KFA	PCSK9 in complex with PCSK9i a 13mer cyclic peptide LDLR disruptor 分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ... 著者 Chopra, R, Xu, M, Spraggon, G. 登録日 2020-10-13 公開日 2021-11-10 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Identification of a PCSK9-LDLR disruptor peptide with in vivo function. Cell Chem Biol, 29, 2022
8AFB	CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474) 分子名称: (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Boettcher, J, Kessler, D. 登録日 2022-07-16 公開日 2022-11-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.12 Å) 主引用文献 Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor. J.Med.Chem., 65, 2022
6HMW	Cholera toxin classical B-pentamer in complex with fucose 分子名称: BICINE, CALCIUM ION, Cholera enterotoxin B-subunit, ... 著者 Krengel, U, Heim, J.B. 登録日 2018-09-13 公開日 2019-08-14 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal structures of cholera toxin in complex with fucosylated receptors point to importance of secondary binding site. Sci Rep, 9, 2019
6CO6	Crystal structure of Rhodococcus jostii RHA1 IpdAB 分子名称: GLYCEROL, Probable CoA-transferase alpha subunit, Probable CoA-transferase beta subunit, ... 著者 Crowe, A.M, Workman, S.D, Watanabe, N, Worrall, L.J, Strynadka, N.C.J, Eltis, L.D. 登録日 2018-03-12 公開日 2018-03-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.701 Å) 主引用文献 IpdAB, a virulence factor inMycobacterium tuberculosis, is a cholesterol ring-cleaving hydrolase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6QA3	ERK2 mini-fragment binding 分子名称: Mitogen-activated protein kinase 1, PYRAZOLE, SULFATE ION 著者 O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. 登録日 2018-12-18 公開日 2019-06-26 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
6QA7	Glycogen Phosphorylase b in complex with 29 分子名称: (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ... 著者 Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. 登録日 2018-12-18 公開日 2019-06-26 最終更新日 2019-07-24 実験手法 X-RAY DIFFRACTION (2.36 Å) 主引用文献 Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography. J.Med.Chem., 62, 2019
6HFL	Human dihydroorotase mutant F1563L co-crystallized with carbamoyl aspartate at pH 7.0 分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ... 著者 Ramon-Maiques, S, Grande Garcia, A. 登録日 2018-08-21 公開日 2018-10-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Characterization of the catalytic flexible loop in the dihydroorotase domain of the human multi-enzymatic protein CAD. J. Biol. Chem., 293, 2018
6YPX	Human histidine triad nucleotide-binding protein 2 (hHINT2) refined to 2.11 A in C2221 space group 分子名称: CACODYLATE ION, GLYCEROL, Histidine triad nucleotide-binding protein 2, ... 著者 Dolot, R.D, Wlodarczyk, A, Bujacz, G.D, Nawrot, B.C. 登録日 2020-04-16 公開日 2020-04-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Biochemical, crystallographic and biophysical characterization of histidine triad nucleotide-binding protein 2 with different ligands including a non-hydrolyzable analog of Ap4A. Biochim Biophys Acta Gen Subj, 1865, 2021
6YQ2	14-3-3 sigma with RelA/p65 binding site pS45 and covalently bound TCF521-129 分子名称: 14-3-3 protein sigma, 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde, p65pS45 著者 Wolter, M, Ottmann, C. 登録日 2020-04-16 公開日 2020-09-23 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Fragment-Based Stabilizers of Protein-Protein Interactions through Imine-Based Tethering. Angew.Chem.Int.Ed.Engl., 59, 2020
6HFX	Crystal structure of Extracellular Domain 1 (ECD1) of FtsX from S. pneumonie in complex with n-decyl-B-D-maltoside 分子名称: Cell division protein FtsX, DECYL-BETA-D-MALTOPYRANOSIDE 著者 Alcorlo Pages, M, Martinez-Caballero, S. 登録日 2018-08-22 公開日 2019-04-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.16 Å) 主引用文献 Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae. Mbio, 10, 2019
6F9T	Crystal structure of human testis Angiotensin-1 converting enzyme in complex with Sampatrilat. 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Cozier, G.E, Acharya, K.R. 登録日 2017-12-15 公開日 2018-03-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structures of sampatrilat and sampatrilat-Asp in complex with human ACE - a molecular basis for domain selectivity. FEBS J., 285, 2018
7KFO	Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus bound to Indole 3 acetic acid 分子名称: 1H-INDOL-3-YLACETIC ACID, SULFATE ION, Transcriptional regulator, ... 著者 Walton, W.G, Redinbo, M.R, Dangl, J.L. 登録日 2020-10-14 公開日 2021-11-10 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Diverse MarR bacterial regulators of auxin catabolism in the plant microbiome. Nat Microbiol, 7, 2022
6YRO	Streptococcus suis SadP mutant - N285D 分子名称: GLYCEROL, SODIUM ION, SadP 著者 Papageorgiou, A.C, Haataja, S. 登録日 2020-04-20 公開日 2020-08-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 The binding mechanism of the virulence factor Streptococcus suis adhesin P subtype to globotetraosylceramide is associated with systemic disease. J.Biol.Chem., 295, 2020
6CPV	MicroED structure of NaK ion channel reveals a process of Na+ partition into the selectivity filter 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, SODIUM ION 著者 Liu, S, Gonen, T. 登録日 2018-03-14 公開日 2018-09-12 最終更新日 2023-10-04 実験手法 ELECTRON CRYSTALLOGRAPHY (2.5 Å) 主引用文献 MicroED structure of the NaK ion channel reveals a Na+partition process into the selectivity filter. Commun Biol, 1, 2018
5VO6	CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN IN COMPLEX WITH A PYRROLOPYRIDAZINE INHIBITOR 分子名称: 4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3 著者 Sack, J.S. 登録日 2017-05-02 公開日 2017-05-31 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Discovery of potent and efficacious pyrrolopyridazines as dual JAK1/3 inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
6F8Z	Structure of the family GH92 alpha-mannosidase BT3130 from Bacteroides thetaiotaomicron 分子名称: 1,2-ETHANEDIOL, Alpha-1,2-mannosidase, putative, ... 著者 Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J. 登録日 2017-12-13 公開日 2018-05-02 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif. Acta Crystallogr D Struct Biol, 74, 2018
6YAT	Crystal structure of STK4 (MST1) in complex with compound 6 分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 4-[5-(3-chlorophenyl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine, GLYCEROL, ... 著者 Chaikuad, A, Bata, N, Limpert, A.S, Lambert, L.J, Bakas, N.A, Cosford, N.D.P, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2020-03-13 公開日 2020-04-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.58 Å) 主引用文献 Inhibitors of the Hippo Pathway Kinases STK3/MST2 and STK4/MST1 Have Utility for the Treatment of Acute Myeloid Leukemia. J.Med.Chem., 65, 2022
6PSL	Structure of a N-Me-D-Gln4,D-aza-Thr8,Arg10-teixobactin analogue 分子名称: CHLORIDE ION, teixobactin analogue 著者 Nowick, J.S, Yang, H, Pishenko, A, Li, X. 登録日 2019-07-12 公開日 2019-11-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Design, Synthesis, and Study of Lactam and Ring-Expanded Analogues of Teixobactin. J.Org.Chem., 85, 2020
6CQL	Crystal structure of F24 TCR -DR11-RQ13 peptide complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, F24 alpha chain, F24 beta Chain, ... 著者 Farenc, C, Gras, S, Rossjohn, J. 登録日 2018-03-15 公開日 2018-06-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 CD4+T cell-mediated HLA class II cross-restriction in HIV controllers. Sci Immunol, 3, 2018
5H3S	apo form of GEMIN5-WD 分子名称: GLYCEROL, Gem-associated protein 5 著者 Bharath, S.R, Tang, X, Song, H. 登録日 2016-10-27 公開日 2016-12-28 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural basis for specific recognition of pre-snRNA by Gemin5 Cell Res., 26, 2016
6YBF	RT structure of HEW Lysozyme obtained at 1.13 A resolution from crystal grown in a Kapton microchip. 分子名称: CHLORIDE ION, Lysozyme, SODIUM ION 著者 Gavira, J, Martinez-Rodriguez, S. 登録日 2020-03-17 公開日 2020-08-12 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.13 Å) 主引用文献 Attaining atomic resolution from in situ data collection at room temperature using counter-diffusion-based low-cost microchips. Acta Crystallogr D Struct Biol, 76, 2020
7QPT	Botulinum neurotoxin A4 cell binding domain in complex with GD1a oligosaccharide 分子名称: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Neurotoxin type A 著者 Gregory, K.S, Acharya, K.R, Liu, S.M, Mojanaga, O.O. 登録日 2022-01-05 公開日 2022-03-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal Structures of Botulinum Neurotoxin Subtypes A4 and A5 Cell Binding Domains in Complex with Receptor Ganglioside. Toxins, 14, 2022
7KGY	Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-glucuronide 分子名称: 8-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5-(morpholin-4-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3 -c]isoquinoline, Beta-glucuronidase, GLYCEROL 著者 Simpson, J.B, Redinbo, M.R. 登録日 2020-10-19 公開日 2021-11-10 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Microbial enzymes induce colitis by reactivating triclosan in the mouse gastrointestinal tract. Nat Commun, 13, 2022
7KZ0	Human MBD4 glycosylase domain bound to DNA containing substrate analog 2'-deoxy-pseudouridine 分子名称: DNA (5'-D(*CP*CP*AP*GP*CP*GP*(P2U)P*GP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*CP*GP*CP*GP*CP*TP*GP*G)-3'), GLYCEROL, ... 著者 Pidugu, L.S, Pozharski, E, Drohat, A.C. 登録日 2020-12-09 公開日 2021-11-10 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.57 Å) 主引用文献 Structural Insights into the Mechanism of Base Excision by MBD4. J.Mol.Biol., 433, 2021

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