PDB: 245663 件ウェブページステータス検索Chemie searchBIRD

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7SUJ	Structure of CHK1 10-pt. mutant complex with LRRK2 inhibitor 24 分子名称: (3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino)quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol, Serine/threonine-protein kinase Chk1 著者 Palte, R.L. 登録日 2021-11-17 公開日 2022-01-12 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.299 Å) 主引用文献 Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors. J.Med.Chem., 65, 2022
4WJ7	CCM2 PTB domain in complex with KRIT1 NPxY/F3 分子名称: KRIT1 NPxY/F3, Malcavernin 著者 Fisher, O.S, Liu, W, Zhang, R, Stiegler, A.L, Boggon, T.J. 登録日 2014-09-29 公開日 2014-12-24 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.753 Å) 主引用文献 Structural Basis for the Disruption of the Cerebral Cavernous Malformations 2 (CCM2) Interaction with Krev Interaction Trapped 1 (KRIT1) by Disease-associated Mutations. J.Biol.Chem., 290, 2015
7TE8	CA14-CBD-DB21 ternary complex 分子名称: CA14, DB21, cannabidiol 著者 Cao, S, Zheng, N. 登録日 2022-01-04 公開日 2022-01-12 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.998 Å) 主引用文献 Defining molecular glues with a dual-nanobody cannabidiol sensor. Nat Commun, 13, 2022
4W5H	New structural conformations of adenylate kinase from Streptococcus pneumoniae D39 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Adenylate kinase 著者 Thach, T.T, Lee, S.H. 登録日 2014-08-18 公開日 2014-11-26 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.96 Å) 主引用文献 New crystal structures of adenylate kinase from Streptococcus pneumoniae D39 in two conformations. Acta Crystallogr.,Sect.F, 70, 2014
4W71	Crystal structure of a prion peptide 分子名称: PrP peptide 著者 Yu, L, Lee, S.-J, Yee, V. 登録日 2014-08-21 公開日 2015-05-27 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1 Å) 主引用文献 Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations. Biochemistry, 54, 2015
4W5C	Crystal structure analysis of cruzain with three Fragments: 1 (N-(1H-benzimidazol-2-yl)-1,3-dimethyl-pyrazole-4-carboxamide), 6 (2-amino-4,6-difluorobenzothiazole) and 9 (N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-1H-pyrazole-4-carboxamide). 分子名称: 4,6-difluoro-1,3-benzothiazol-2-amine, Cruzipain, N-(1H-benzimidazol-2-yl)-1,3-dimethyl-1H-pyrazole-4-carboxamide, ... 著者 Tochowicz, A, McKerrow, J.H, Craik, C.S. 登録日 2014-08-17 公開日 2015-04-08 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (3.27 Å) 主引用文献 Applying Fragments Based- Drug Design to identify multiple binding modes on cysteine protease. To Be Published
4W5P	Prp peptide 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, PrP peptide 著者 Yu, L, Lee, S.-J, Yee, V. 登録日 2014-08-18 公開日 2015-05-27 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.151 Å) 主引用文献 Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations. Biochemistry, 54, 2015
4W67	Crystal structure of Prp peptide 分子名称: PrP peptide 著者 Yu, L, Lee, S.-J, Yee, V. 登録日 2014-08-20 公開日 2015-05-27 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.001 Å) 主引用文献 Crystal Structures of Polymorphic Prion Protein beta 1 Peptides Reveal Variable Steric Zipper Conformations. Biochemistry, 54, 2015
8JQU	Crystal structure of GppNHp bound GTPase domain of Rab5a from Leishmania donovani 分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... 著者 Pandey, D, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A. 登録日 2023-06-14 公開日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.798 Å) 主引用文献 Crystal structure of GppNHp bound GTPase domain of Rab5a from Leishmania donovani To Be Published
5WSQ	Crystal structure of C-Hg-T pair containing DNA duplex 分子名称: 1,3-PROPANDIOL, DNA (5'-D(*GP*CP*CP*CP*GP*TP*GP*C)-3'), MERCURY (II) ION 著者 Gan, J.H, Liu, H.H. 登録日 2016-12-08 公開日 2017-02-08 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Flexibility and stabilization of HgII-mediated C:T and T:T base pairs in DNA duplex Nucleic Acids Res., 45, 2017
6UZX	Crystal structure of GLUN1/GLUN2A-4M mutant ligand-binding domain in complex with glycine and UBP791 分子名称: (2S,3R)-1-[7-(2-carboxyethyl)phenanthrene-2-carbonyl]piperazine-2,3-dicarboxylic acid, GLYCEROL, GLYCINE, ... 著者 Wang, J.X, Furukawa, H. 登録日 2019-11-15 公開日 2020-01-29 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.41 Å) 主引用文献 Structural basis of subtype-selective competitive antagonism for GluN2C/2D-containing NMDA receptors. Nat Commun, 11, 2020
8JOI	Crystal Structure of Bel-1 E166A Mutant. 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BROMIDE ION, Beta-lactamase, ... 著者 Dhankhar, K, Hazra, S. 登録日 2023-06-07 公開日 2024-06-19 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Crystal Structure of Bel-1 E166A Mutant To Be Published
4V0S	Crystal structure of Mycobacterium tuberculosis Type II Dehydroquinase D88N mutant inhibited by a 3-dehydroquinic acid derivative 分子名称: (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3,4-DIHYDROXY-2-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]BENZOIC ACID, 3-DEHYDROQUINATE DEHYDRATASE, ... 著者 Otero, J.M, Llamas-Saiz, A.L, Santiago, C, Lamb, H, Hawkins, A.R, Maneiro, M, Peon, A, Gonzalez-Bello, C, van Raaij, M.J. 登録日 2014-09-18 公開日 2016-01-13 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Investigation of the Dehydratation Mechanism Catalyzed by the Type II Dehydroquinase To be Published
7SVX	Structure of EmrE-D3 mutant in complex with monobody L10 and harmane 分子名称: 1-methyl-9H-pyrido[3,4-b]indole, L10 monobody, Multidrug transporter EmrE 著者 Kermani, A.A, Stockbridge, R.B. 登録日 2021-11-19 公開日 2022-03-02 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.9 Å) 主引用文献 Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates. Elife, 11, 2022
9JB0	Cryo-EM structure of the class II amyloid-beta 42 fibril containing a D-Asp at position 23 分子名称: Amyloid-beta precursor protein 著者 Hsiao, L.C, Lee, C.H, Hsu, M.F, Hsu, S.T. 登録日 2024-08-26 公開日 2025-03-26 最終更新日 2025-04-09 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 Impacts of D-aspartate on the Aggregation Kinetics and Structural Polymorphism of Amyloid beta Peptide 1-42. J.Mol.Biol., 437, 2025
4WTW	Crystal structure of the third FnIII domain of integrin beta4 分子名称: 1,2-ETHANEDIOL, Integrin beta-4, PENTAETHYLENE GLYCOL, ... 著者 Alonso-Garcia, N, Urien, H, de Pereda, J.M. 登録日 2014-10-30 公開日 2015-02-11 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.606 Å) 主引用文献 Combination of X-ray crystallography, SAXS and DEER to obtain the structure of the FnIII-3,4 domains of integrin alpha6beta4 Acta Crystallogr.,Sect.D, 71, 2015
4WWK	Crystal structure of human TCR Alpha Chain-TRAV12-3, Beta Chain-TRBV6-5, Antigen-presenting molecule CD1d, and Beta-2-microglobulin 分子名称: (15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ... 著者 Le Nours, J, Praveena, T, Pellicci, D.G, Gherardin, N.A, Lim, R.T, Besra, G, Keshipeddy, A, Richardson, S.K, Howell, A.R, Gras, S, Godfrey, D.I, Rossjohn, J, Uldrich, A.P. 登録日 2014-11-11 公開日 2016-02-03 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Atypical natural killer T-cell receptor recognition of CD1d-lipid antigens. Nat Commun, 7, 2016
8J9D	Crystal structure of M61 peptidase (bestatin-bound) from Xanthomonas campestris 分子名称: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... 著者 Yadav, P, Kumar, A, Kulkarni, B.S, Jamdar, S.N, Makde, R.D. 登録日 2023-05-03 公開日 2024-05-01 最終更新日 2024-07-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of a newly identified M61 family aminopeptidase with broad substrate specificity that is solely responsible for recycling acidic amino acids. Febs J., 291, 2024
8JES	Cryo-EM structure of DltB homo-tetramer 分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, DIACYL GLYCEROL, DODECYL-BETA-D-MALTOSIDE, ... 著者 Zhang, P, Liu, Z. 登録日 2023-05-16 公開日 2024-05-22 最終更新日 2025-03-12 実験手法 ELECTRON MICROSCOPY (3.42 Å) 主引用文献 Structural insights into the transporting and catalyzing mechanism of DltB in LTA D-alanylation. Nat Commun, 15, 2024
9I33	Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis in complex with butanoyl-CoA 分子名称: Alpha-methylacyl-CoA racemase, Butyryl Coenzyme A 著者 Mojanaga, O.O, Acharya, K.R, Lloyd, M.D. 登録日 2025-01-22 公開日 2025-06-11 最終更新日 2025-07-09 実験手法 X-RAY DIFFRACTION (2.02 Å) 主引用文献 Molecular basis of acyl-CoA ester recognition by alpha-methylacyl-CoA racemase from Mycobacterium tuberculosis. J.Biol.Chem., 301, 2025
9IIJ	Engineered LmrR with V15 replaced by unnatural amino acid 4-amino-L-phenyl-cysteine 分子名称: 1,2-ETHANEDIOL, Transcriptional regulator, PadR-like family 著者 Zhou, Z, Huang, W. 登録日 2024-06-20 公開日 2025-06-25 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Engineered LmrR with V15 replaced by unnatural amino acid 4-amino-L-phenyl-cysteine To Be Published
8JEM	DltB tetramer in complex with inhibitor m-AMSA 分子名称: (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, DIACYL GLYCEROL, DODECYL-BETA-D-MALTOSIDE, ... 著者 Zhang, P, Liu, Z. 登録日 2023-05-16 公開日 2024-05-15 最終更新日 2025-03-12 実験手法 ELECTRON MICROSCOPY (3.23 Å) 主引用文献 Structural insights into the transporting and catalyzing mechanism of DltB in LTA D-alanylation. Nat Commun, 15, 2024
6UBS	Full length Glycine receptor reconstituted in lipid nanodisc in Apo/Resting conformation 分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycine receptor subunit alphaZ1, ... 著者 Kumar, A, Basak, S, Chakrapani, S. 登録日 2019-09-12 公開日 2020-07-29 最終更新日 2024-11-20 実験手法 ELECTRON MICROSCOPY (3.33 Å) 主引用文献 Mechanisms of activation and desensitization of full-length glycine receptor in lipid nanodiscs. Nat Commun, 11, 2020
6UGN	Human Carbonic Anhydrase 2 complexed with SB4-205 分子名称: 5,7-dimethyl-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ZINC ION 著者 Murray, A.B, Supuran, C.T, McKenna, R. 登録日 2019-09-26 公開日 2019-12-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.406 Å) 主引用文献 "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
4UQ9	X-ray structure of glucuronoxylan-xylanohydrolase (Xyn30A) from Clostridium thermocellum at 1.77 A resolution 分子名称: CARBOHYDRATE BINDING FAMILY 6 著者 Freire, F, Verma, A.K, Goyal, A, Fontes, C.M.G.A, Najmudin, S. 登録日 2014-06-22 公開日 2015-06-24 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Conservation in the Mechanism of Glucuronoxylan Hydrolysis Revealed by the Structure of Glucuronoxylan Xylano-Hydrolase (Ctxyn30A) from Clostridium Thermocellum Acta Crystallogr.,Sect.D, 72, 2016

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