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

---

5FJL	Crystal structure of raptor adenovirus 1 fibre head, wild-type form 分子名称: CHLORIDE ION, FIBER PROTEIN 著者 Nguyen, T.H, van Raaij, M.J. 登録日 2015-10-09 公開日 2016-06-29 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.47 Å) 主引用文献 Crystal Structure of Raptor Adenovirus 1 Fibre Head and Role of the Beta-Hairpin in Siadenovirus Fibre Head Domains Virol.J., 13, 2016
6JTO	Crystal structure of HLA-C05 in complex with a tumor mut10m peptide 分子名称: 10-mer peptide, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... 著者 Bai, P, Zhou, Q, Wei, P, Lei, Y. 登録日 2019-04-11 公開日 2020-04-15 最終更新日 2021-05-19 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Rational discovery of a cancer neoepitope harboring the KRAS G12D driver mutation. Sci China Life Sci, 2021
6G0D	BRD4 (BD1) in complex with APSC-derived ligands (e.g. LY294002) 分子名称: 1,2-ETHANEDIOL, 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE, Bromodomain-containing protein 4 著者 Pretzel, J, Humbeck, L. 登録日 2018-03-18 公開日 2020-01-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.314 Å) 主引用文献 Discovery of an Unexpected Similarity in Ligand Binding Between BRD4 and PPARgamma Chemrxiv, 2019
7QZ7	Transcriptional regulator LmrR with bound daunomycin and with Trp-67 and Trp-96 replaced by 5,6,7-trifluoroTrp 分子名称: DAUNOMYCIN, Transcriptional regulator, PadR-like family 著者 Thunnissen, A.M.W.H. 登録日 2022-01-30 公開日 2022-11-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach. J.Am.Chem.Soc., 144, 2022
7MU3	human carbonic anhydrase 9 mimic with compound 分子名称: Carbonic anhydrase 2, GLYCEROL, IMIDAZOLE, ... 著者 Peat, T.S. 登録日 2021-05-14 公開日 2021-08-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Privileged scaffolds in medicinal chemistry: Studies on pyrazolo[1,5-a]pyrimidines on sulfonamide containing Carbonic Anhydrase inhibitors. Bioorg.Med.Chem.Lett., 49, 2021
5FK6	SAM-I riboswitch bearing the H. marismortui Kt-7 variant 3bn is CA 分子名称: BARIUM ION, POTASSIUM ION, S-ADENOSYLMETHIONINE, ... 著者 Huang, L, Lilley, D.M.J. 登録日 2015-10-14 公開日 2016-05-25 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 A Critical Base Pair in K-Turns Determines the Conformational Class Adopted, and Correlates with Biological Function. Nucleic Acids Res., 44, 2016
8SWL	Substrate free structure of cytochrome P450 CYP105Q4 from mycobacterium marinum 分子名称: Cytochrome P450 105Q4 Cyp105Q4, PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL 著者 Mohamed, H.A, Bruning, J.B, Bell, S.G. 登録日 2023-05-19 公開日 2024-03-27 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (3.06 Å) 主引用文献 Structural determination and characterisation of the CYP105Q4 cytochrome P450 enzyme from Mycobacterium marinum. Arch.Biochem.Biophys., 754, 2024
5FJJ	Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ... 著者 Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S. 登録日 2015-10-09 公開日 2016-02-10 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases Acta Crystallogr.,Sect.D, 72, 2016
6R4B	Aurora-A in complex with shape-diverse fragment 56 分子名称: (6~{S})-6-[2,4-bis(fluoranyl)phenyl]-~{N},~{N},4-trimethyl-2-oxidanylidene-5,6-dihydro-1~{H}-pyrimidine-5-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... 著者 Bayliss, R, McIntyre, P.J. 登録日 2019-03-22 公開日 2019-05-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Construction of a Shape-Diverse Fragment Set: Design, Synthesis and Screen against Aurora-A Kinase. Chemistry, 25, 2019
6FPQ	Structure of S. pombe Mmi1 in complex with 7-mer RNA 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, RNA (5'-R(*UP*UP*AP*AP*AP*CP*C)-3'), YTH domain-containing protein mmi1 著者 Stowell, J.A.W, Hill, C.H, Yu, M, Wagstaff, J.L, McLaughlin, S.H, Freund, S.M.V, Passmore, L.A. 登録日 2018-02-11 公開日 2018-05-09 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.42 Å) 主引用文献 A low-complexity region in the YTH domain protein Mmi1 enhances RNA binding. J. Biol. Chem., 293, 2018
6DHJ	Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica 分子名称: CITRIC ACID, Cyanuric acid amidohydrolase 著者 Shi, K, Aihara, H. 登録日 2018-05-20 公開日 2019-06-26 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Crystal structures of Moorella thermoacetica cyanuric acid hydrolase reveal conformational flexibility and asymmetry important for catalysis. Plos One, 14, 2019
7M7K	Crystal structure of uridine bound to Geobacillus thermoglucosidasius pyrimidine nucleoside phosphorylase PyNP 分子名称: Pyrimidine-nucleoside phosphorylase, SULFATE ION, URIDINE 著者 Pausch, P, Bange, G. 登録日 2021-03-28 公開日 2021-08-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Diversification of 4'-Methylated Nucleosides by Nucleoside Phosphorylases Acs Catalysis, 2021
8T88	FphE, Staphylococcus aureus fluorophosphonate-binding serine hydrolases E, Oxadiazolone JJ004 bound 分子名称: Fluorophosphonate-binding serine hydrolase E, MAGNESIUM ION, methyl 2-formyl-2-[4-(undec-10-ynamido)phenyl]hydrazine-1-carboxylate 著者 Fellner, M. 登録日 2023-06-22 公開日 2024-03-06 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Development of Oxadiazolone Activity-Based Probes Targeting FphE for Specific Detection of Staphylococcus aureus Infections. J.Am.Chem.Soc., 146, 2024
6G0Z	Crystal structure of GDP bound RbgA from S. aureus 分子名称: GUANOSINE-5'-DIPHOSPHATE, Ribosome biogenesis GTPase A 著者 Pausch, P, Bange, G. 登録日 2018-03-20 公開日 2018-11-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structural basis for (p)ppGpp-mediated inhibition of the GTPase RbgA. J. Biol. Chem., 293, 2018
8BIA	Crystal structure of Scribble PDZ1 with PTHR 分子名称: PHOSPHATE ION, Parathyroid hormone/parathyroid hormone-related peptide receptor, Protein scribble homolog 著者 Stewart, B.Z, Kvansakul, M. 登録日 2022-11-02 公開日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of Scribble PDZ1 with human papillomavirus strain 16 E6 peptide To Be Published
8TCY	Structure of PYCR1 complexed with 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid 分子名称: 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid, DI(HYDROXYETHYL)ETHER, Pyrroline-5-carboxylate reductase 1, ... 著者 Tanner, J.J, Meeks, K.R. 登録日 2023-07-02 公開日 2024-03-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Novel Fragment Inhibitors of PYCR1 from Docking-Guided X-ray Crystallography. J.Chem.Inf.Model., 64, 2024
5FLP	Native state mass spectrometry, surface plasmon resonance and X-ray crystallography correlate strongly as a fragment screening combination 分子名称: 5-[(2-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole, CARBONIC ANHYDRASE 2, DIMETHYL SULFOXIDE, ... 著者 Woods, L.A, Dolezal, O, Ren, B, Ryan, J.H, Peat, T.S, Poulsen, S.A. 登録日 2015-10-28 公開日 2016-03-02 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.71 Å) 主引用文献 Native State Mass Spectrometry, Surface Plasmon Resonance and X-Ray Crystallography Correlate Strongly as a Fragment Screening Combination. J.Med.Chem., 59, 2016
5FKS	Unraveling the first step of xyloglucan degradation by the soil saprophyte Cellvibrio japonicus through the functional and structural characterization of a potent GH74 endo-xyloglucanase 分子名称: 1,2-ETHANEDIOL, BROMIDE ION, ENDO-1,4-BETA-GLUCANASE/XYLOGLUCANASE, ... 著者 Attia, M, Stepper, J, Davies, G.J, Brumer, H. 登録日 2015-10-19 公開日 2015-11-25 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Functional and Structural Characterization of a Potent Gh74 Endo-Xyloglucanase from the Soil Saprophyte Cellvibrio Japonicus Unravels the First Step of Xyloglucan Degradation. FEBS J., 283, 2016
6FPW	Structure of fully reduced Hydrogenase (Hyd-1) 分子名称: CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, FE3-S4 CLUSTER, ... 著者 Carr, S.B, Armstrong, F.A, Evans, R.M. 登録日 2018-02-12 公開日 2019-02-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.35 Å) 主引用文献 Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase. J. Am. Chem. Soc., 140, 2018
8BIQ	Crystal structure of acyl-COA synthetase from Metallosphaera sedula in complex with acetyl-AMP 分子名称: 4-hydroxybutyrate--CoA ligase 1, ADENOSINE MONOPHOSPHATE, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate 著者 Capra, N, Thunnissen, A.M.W.H, Janssen, D.B. 登録日 2022-11-02 公開日 2023-11-15 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Adapting an acyl CoA ligase from Metallosphaera sedula for lactam formation by structure-guided protein engineering Front Catal, 4, 2024
6G1I	GH124 cellulase from Ruminiclostridium thermocellum in complex with Mn and fructosylated cellopentaose 分子名称: Glycosyl Hydrolase, MALONIC ACID, MANGANESE (II) ION, ... 著者 Urresti, S, Davies, G.J, Walton, P.H. 登録日 2018-03-21 公開日 2018-08-15 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (0.99 Å) 主引用文献 Structural studies of the unusual metal-ion site of the GH124 endoglucanase from Ruminiclostridium thermocellum. Acta Crystallogr F Struct Biol Commun, 74, 2018
7R0Y	ATAD2 in complex with PepLite-Glu 分子名称: (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... 著者 Turberville, S, Martin, M.P, Hope, I, Noble, M.E.M. 登録日 2022-02-02 公開日 2022-11-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
8BOE	Human Carbonic Anhydrase I in complex with (S)-4-(3-(1-(6-nitropyridin-2-yl)pyrrolidin-3-yl)thioureido)benzenesulfonamide 分子名称: 1-[(3~{R})-1-(6-nitropyridin-2-yl)pyrrolidin-3-yl]-3-(4-sulfamoylphenyl)thiourea, Carbonic anhydrase 2, GLYCEROL, ... 著者 Angeli, A, Ferraroni, M. 登録日 2022-11-15 公開日 2023-11-29 最終更新日 2024-06-12 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 First-in-Class Dual Hybrid Carbonic Anhydrase Inhibitors and Transient Receptor Potential Vanilloid 1 Agonists Revert Oxaliplatin-Induced Neuropathy. J.Med.Chem., 66, 2023
6FR9	F11 T-Cell Receptor Recognising PKYVKQNTLKLAT Peptide Presented by HLA-DR*0101 分子名称: 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... 著者 Rizkallah, P.J, Cole, D.K. 登録日 2018-02-15 公開日 2018-04-18 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility. Front Immunol, 9, 2018
7QZ9	Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5,6-difluoroTrp 分子名称: Transcriptional regulator, PadR-like family 著者 Thunnissen, A.M.W.H. 登録日 2022-01-30 公開日 2022-11-23 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach. J.Am.Chem.Soc., 144, 2022

<9859869879889899909919929939949959969979989991000>