PDB: 45853 件ウェブページステータス検索Chemie searchBIRD

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4TSX	HIV-1 Integrase Catalytic Core Domain Mutant Complexed with Allosteric Inhibitor 分子名称: (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid, Integrase, SULFATE ION 著者 Feng, L, Kvaratskhelia, M. 登録日 2014-06-19 公開日 2014-12-17 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 The mechanism of H171T resistance reveals the importance of N -protonated His171 for the binding of allosteric inhibitor BI-D to HIV-1 integrase. Retrovirology, 11, 2014
8WMU	Structural basis of tubulin and heterocyclic podophyllotoxins complex for anticancer agents with dual-binding sites 分子名称: (5~{S},5~{a}~{S},8~{a}~{R},9~{R})-5-(quinolin-6-ylamino)-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... 著者 Zhao, W, Bi, J. 登録日 2023-10-04 公開日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structural basis of tubulin and heterocyclic podophyllotoxins complex for anticancer agents with dual-binding sites To Be Published
8WDM	Crystal structure of a novel PU plastic degradation enzyme from Thermaerobacter marianensis 分子名称: Carboxylic ester hydrolase 著者 Li, Z.S, Wang, H, Gao, J, Chen, Y.Y, Wei, H.L, Li, Q, Han, X, Wei, R, Liu, W.D. 登録日 2023-09-15 公開日 2024-09-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of a novel PU plastic degradation enzyme from Thermaerobacter marianensis To Be Published
5O51	AfRom2 CNH domain 分子名称: Rho guanyl nucleotide exchange factor (Rom2), putative 著者 Wei, W, van Aalten, D. 登録日 2017-05-31 公開日 2018-06-13 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Rom2 CNH domain from Aspergillus fumigatus is an atypical seven-bladed WD-40 protein To Be Published
6TBB	Crystal structure of S. aureus FabI in complex with NADPH and kalimantacin A (batumin) 分子名称: Enoyl-[acyl-carrier-protein] reductase [NADPH], Kalimantacin, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Fage, C.D, Masschelein, J. 登録日 2019-11-01 公開日 2020-04-01 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 The Kalimantacin Polyketide Antibiotics Inhibit Fatty Acid Biosynthesis in Staphylococcus aureus by Targeting the Enoyl-Acyl Carrier Protein Binding Site of FabI. Angew.Chem.Int.Ed.Engl., 59, 2020
2K07	Solution NMR structure of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1). Northeast Structural Genomics Consortium target HR41 分子名称: Ufm1-conjugating enzyme 1 著者 Liu, G, Eletsky, A, Atreya, H.S, Aramini, J.M, Xiao, R, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) 登録日 2008-01-25 公開日 2008-02-19 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 NMR and X-RAY structures of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1) reveal structural and functional conservation in the metazoan UFM1-UBA5-UFC1 ubiquination pathway. J.STRUCT.FUNCT.GENOM., 10, 2009
5JEY	Crystal structure of type 2 PDF from Streptococcus agalactiae, crystallized in cacodylate buffer 分子名称: NICKEL (II) ION, Peptide deformylase 著者 Fieulaine, S, Giglione, C, Meinnel, T. 登録日 2016-04-19 公開日 2016-11-30 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 A unique peptide deformylase platform to rationally design and challenge novel active compounds. Sci Rep, 6, 2016
6TE6	Crystal structure of Dot1L in complex with an inhibitor (compound 3). 分子名称: Histone-lysine N-methyltransferase, H3 lysine-79 specific, ~{N}1-[(~{S})-(3-chlorophenyl)-pyridin-2-yl-methyl]-4-methylsulfonyl-~{N}2-pyrimidin-2-yl-benzene-1,2-diamine 著者 Scheufler, C, Stauffer, F, Be, C, Moebitz, H. 登録日 2019-11-11 公開日 2019-12-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 New Potent DOT1L Inhibitors forin VivoEvaluation in Mouse. Acs Med.Chem.Lett., 10, 2019
8BFS	Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326 分子名称: 1,2-ETHANEDIOL, 3~{H}-pyrrolo[2,3-c]isoquinolin-5-amine, Calcium/calmodulin-dependent protein kinase type 1D, ... 著者 Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2022-10-26 公開日 2022-11-16 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ326 To Be Published
5O82	Crystal Structure of R67A/E173A Mutant of alpha-L-arabinofuranosidase Ara51 from Clostridium thermocellum in complex with arabinofuranose 分子名称: Intracellular exo-alpha-(1->5)-L-arabinofuranosidase, alpha-L-arabinofuranose 著者 Lafite, P, Daniellou, R. 登録日 2017-06-12 公開日 2018-06-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.393 Å) 主引用文献 To be announced To Be Published
5O90	Crystal structure of a P38alpha T185G mutant in complex with TAB1 peptide. 分子名称: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 著者 Nichols, C.E, De Nicola, G.F, Thapa, D. 登録日 2017-06-15 公開日 2018-01-31 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.49 Å) 主引用文献 TAB1-Induced Autoactivation of p38 alpha Mitogen-Activated Protein Kinase Is Crucially Dependent on Threonine 185. Mol. Cell. Biol., 38, 2018
5I0K	Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases 分子名称: CROTONYL COENZYME A, Phthiocerol synthesis polyketide synthase type I PpsC 著者 Faille, A, Mourey, L, Pedelacq, J.D. 登録日 2016-02-04 公開日 2017-08-09 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (3.197 Å) 主引用文献 Insights into Substrate Modification by Dehydratases from Type I Polyketide Synthases. J. Mol. Biol., 429, 2017
5JJF	Structure of the SRII/HtrII Complex in I212121 space group ("U" shape) - M state 分子名称: EICOSANE, RETINAL, Sensory rhodopsin II transducer, ... 著者 Ishchenko, A, Round, E, Borshchevskiy, V, Grudinin, S, Gushchin, I, Klare, J, Remeeva, A, Polovinkin, V, Utrobin, P, Balandin, T, Engelhard, M, Bueldt, G, Gordeliy, V. 登録日 2016-04-23 公開日 2017-02-15 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 New Insights on Signal Propagation by Sensory Rhodopsin II/Transducer Complex. Sci Rep, 7, 2017
8WMO	Crystal structure analysis of tubulin and heterocyclic podophyllotoxins complex for anticancer agents 分子名称: (5~{S},5~{a}~{R},8~{a}~{R},9~{R})-5-pyrimidin-2-ylsulfanyl-9-(3,4,5-trimethoxyphenyl)-5~{a},6,8~{a},9-tetrahydro-5~{H}-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one, 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... 著者 Zhao, W, Bi, J. 登録日 2023-10-04 公開日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.89 Å) 主引用文献 Crystal structure analysis of tubulin and heterocyclic podophyllotoxins complex for anticancer agents To Be Published
6W3K	Structure of unphosphorylated human IRE1 bound to G-9807 分子名称: 4-[5-[2,6-bis(fluoranyl)phenyl]-2~{H}-pyrazolo[3,4-b]pyridin-3-yl]-2-(4-oxidanylpiperidin-1-yl)-1~{H}-pyrimidin-6-one, Serine/threonine-protein kinase/endoribonuclease IRE1 著者 Lammens, A, Wang, W, Ferri, E, Rudolph, J. 登録日 2020-03-09 公開日 2020-12-09 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Activation of the IRE1 RNase through remodeling of the kinase front pocket by ATP-competitive ligands. Nat Commun, 11, 2020
4RYW	Crystal structure of the photoconverted green fluorescent protein NowGFP_conv (the variant of cyan Cerulean) at pH 7.0 分子名称: GLYCEROL, NowGFP_conv 著者 Pletnev, V.Z, Pletneva, N.V, Pletnev, S.V. 登録日 2014-12-17 公開日 2015-09-02 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structure of the green fluorescent protein NowGFP with an anionic tryptophan-based chromophore. Acta Crystallogr.,Sect.D, 71, 2015
2JSL	Monomeric Human Telomere DNA Tetraplex with 3+1 Strand Fold Topology, Two Edgewise Loops and Double-Chain Reversal Loop, Form 2 Natural, NMR, 10 Structures 分子名称: HUMAN TELOMERE DNA 著者 Kuryavyi, V.V, Phan, A.T, Luu, K.N, Patel, D.J. 登録日 2007-07-08 公開日 2008-07-15 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Structure of two intramolecular G-quadruplexes formed by natural human telomere sequences in K+ solution. Nucleic Acids Res., 35, 2007
6JEZ	Covalent labeling of rVDR-LBD by turn-on fluorescent probe mediated by conjugate addition and cyclization 分子名称: (1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol, 7-(diethylamino)chromen-2-one, Mediator of RNA polymerase II transcription subunit 1, ... 著者 Kojima, H, Yamamoto, K, Itoh, T. 登録日 2019-02-07 公開日 2020-02-12 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Cyclization Reaction-Based Turn-on Probe for Covalent Labeling of Target Proteins. Cell Chem Biol, 27, 2020
2JKU	Crystal structure of the N-terminal region of the biotin acceptor domain of human propionyl-CoA carboxylase 分子名称: PROPIONYL-COA CARBOXYLASE ALPHA CHAIN, MITOCHONDRIAL, TETRAETHYLENE GLYCOL 著者 Healy, S, Yue, W.W, Kochan, G, Pilka, E.S, Murray, J.W, Roos, A.K, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Gravel, R.A, Oppermann, U. 登録日 2008-08-30 公開日 2008-09-09 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structural impact of human and Escherichia coli biotin carboxyl carrier proteins on biotin attachment. Biochemistry, 49, 2010
6D2U	Solution structure of a ultra-high affinity macrocycle bound to HIV-1 TAR RNA 分子名称: DAB-VAL-ARG-THR-ARG-LYS-GLY-ARG-ARG-ILE-NOR-ILE-DPR-PRO, RNA (29-MER) 著者 Shortridge, M.D, Varani, G. 登録日 2018-04-13 公開日 2018-12-12 最終更新日 2023-11-15 実験手法 SOLUTION NMR 主引用文献 An ultra-high affinity ligand of HIV-1 TAR reveals the RNA structure recognized by P-TEFb. Nucleic Acids Res., 47, 2019
4S2V	E. coli RppH structure, KI soak 分子名称: ACETATE ION, CALCIUM ION, IODIDE ION, ... 著者 Vasilyev, N, Serganov, A. 登録日 2015-01-23 公開日 2015-02-11 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structures of RNA Complexes with the Escherichia coli RNA Pyrophosphohydrolase RppH Unveil the Basis for Specific 5'-End-dependent mRNA Decay. J.Biol.Chem., 290, 2015
8VDD	Crystal structure of Proinsulin C-peptide bound to HLA-DQ8 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MHC class II HLA-DQ-alpha chain, ... 著者 Tran, T.M, Lim, J.J, Loh, T.Y, Mannering, I.S, Rossjohn, J, Reid, H.H. 登録日 2023-12-14 公開日 2024-08-07 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 A structural basis of T cell cross-reactivity to native and spliced self-antigens presented by HLA-DQ8. J.Biol.Chem., 300, 2024
5JN3	Carbonic Anhydrase IX-mimic IN Complex WITH U-F 分子名称: 4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 McKenna, R, Mboge, M.Y, Mahon, B.P. 登録日 2016-04-29 公開日 2017-05-03 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Carbonic Anhydrase IX-mimic IN Complex WITH U-F To Be Published
8BFM	Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) in complex with FZ331 分子名称: Calcium/calmodulin-dependent protein kinase type 1D, SULFATE ION, pyrazolo[5,1-a]phthalazin-6-amine 著者 Kraemer, A, Zhu, W.F, Hernandez-Olmos, V, Proschak, E, Knapp, S, Structural Genomics Consortium (SGC) 登録日 2022-10-26 公開日 2022-11-23 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structure of human WDR5 and pVHL:ElonginC:ElonginB bound to PROTAC with PEG linker (conformation #2) To Be Published
6W7S	Ketoreductase from module 1 of the 6-deoxyerythronolide B synthase (KR1) in complex with antibody fragment (Fab) 2G10 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2G10 (Fab heavy chain), 2G10 (Fab light chain), ... 著者 Cogan, D.P, Mathews, I.I, Khosla, C. 登録日 2020-03-19 公開日 2020-09-09 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Antibody Probes of Module 1 of the 6-Deoxyerythronolide B Synthase Reveal an Extended Conformation During Ketoreduction. J.Am.Chem.Soc., 142, 2020

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