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

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5PTU	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 172) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PU9	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 187) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
3O2A	Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator 分子名称: GLUTAMIC ACID, GLYCEROL, Glutamate receptor 2, ... 著者 Maclean, J.K.F, Basten, S, Campbell, R.A, Cumming, I.A, Gillen, K.J, Gillespie, J, Jamieson, C, Kazemier, B, Kiczun, M, Lamont, Y, Lyons, A.J, Moir, E.M, Morrow, J.A, Papakosta, M, Rankovic, Z, Smith, L. 登録日 2010-07-22 公開日 2010-09-15 最終更新日 2024-11-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A novel series of positive modulators of the AMPA receptor: discovery and structure based hit-to-lead studies. Bioorg.Med.Chem.Lett., 20, 2010
5PUQ	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 204) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PV8	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 222) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.49 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
4CBZ	Notch ligand, Jagged-1, contains an N-terminal C2 domain 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN JAGGED-1, alpha-L-fucopyranose 著者 Chilakuri, C.R, Sheppard, D, Ilagan, M.X.G, Holt, L.R, Abbott, F, Liang, S, Kopan, R, Handford, P.A, Lea, S.M. 登録日 2013-10-17 公開日 2013-11-27 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural Analysis Uncovers Lipid-Binding Properties of Notch Ligands Cell Rep., 5, 2013
5PVN	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 238) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5PW2	PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 253) 分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION 著者 Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. 登録日 2017-02-07 公開日 2017-03-29 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.32 Å) 主引用文献 A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
5TS1	Crystal structure of MHC-I H2-KD complexed with peptides of Mycobacterial tuberculosis (YYQSGLSIV) 分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, GLYCEROL, ... 著者 Jiang, J, Natarajan, K, Margulies, D. 登録日 2016-10-27 公開日 2018-05-09 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 MHC-restricted Ag85B-specific CD8+T cells are enhanced by recombinant BCG prime and DNA boost immunization in mice. Eur.J.Immunol., 2019
2YFS	Crystal structure of inulosucrase from Lactobacillus johnsonii NCC533 in complex with sucrose 分子名称: CALCIUM ION, LEVANSUCRASE, SULFATE ION, ... 著者 Pijning, T, Anwar, M.A, Leemhuis, H, Kralj, S, Dijkhuizen, L, Dijkstra, B.W. 登録日 2011-04-07 公開日 2011-08-03 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal Structure of Inulosucrase from Lactobacillus: Insights Into the Substrate Specificity and Product Specificity of Gh68 Fructansucrases. J.Mol.Biol., 412, 2011
1O37	Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors 分子名称: 5-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-2-OLATE, BETA-TRYPSIN, CALCIUM ION 著者 Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W. 登録日 2003-03-06 公開日 2003-09-02 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors. J.Mol.Biol., 329, 2003
5RFK	PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102575 分子名称: 3C-like proteinase, DIMETHYL SULFOXIDE, N-(1-acetylpiperidin-4-yl)benzamide 著者 Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F. 登録日 2020-03-15 公開日 2020-03-25 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020
3WKC	Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 分子名称: 4-{2,5-dimethyl-1-[(2R)-tetrahydrofuran-2-ylmethyl]-1H-pyrrol-3-yl}-1,3-thiazol-2-amine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... 著者 Amano, Y, Yamaguchi, T, Tanabe, E. 登録日 2013-10-18 公開日 2014-04-16 最終更新日 2024-05-29 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography. Bioorg.Med.Chem., 22, 2014
3QI4	Crystal structure of PDE9A(Q453E) in complex with IBMX 分子名称: 3-ISOBUTYL-1-METHYLXANTHINE, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ... 著者 Hou, J, Xu, J, Liu, M, Zhao, R, Lou, H, Ke, H. 登録日 2011-01-26 公開日 2011-04-27 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural asymmetry of phosphodiesterase-9, potential protonation of a glutamic Acid, and role of the invariant glutamine. Plos One, 6, 2011
7EIB	Cryo-EM structure of the type 1 bradykinin receptor in complex with the des-Arg10-kallidin and an Gq protein 分子名称: B1 bradykinin receptor, G subunit q (Gi1-Gq chimeric), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... 著者 Yin, Y, Jiang, Y. 登録日 2021-03-30 公開日 2021-10-13 最終更新日 2025-07-02 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 Molecular basis for kinin selectivity and activation of the human bradykinin receptors. Nat.Struct.Mol.Biol., 28, 2021
5TYD	DNA Polymerase Mu Reactant Complex, 10 mM Mg2+ (45 min) 分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Jamsen, J.A, Wilson, S.H. 登録日 2016-11-19 公開日 2017-08-30 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.899 Å) 主引用文献 Time-lapse crystallography snapshots of a double-strand break repair polymerase in action. Nat Commun, 8, 2017
5RHX	PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z1324080698 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 3-fluoro-5-methylbenzene-1-sulfonamide, ... 著者 Godoy, A.S, Mesquita, N.C.M.R, Oliva, G. 登録日 2020-05-25 公開日 2020-06-10 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 PanDDA analysis group deposition To Be Published
7JMQ	The external aldimine form of the mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring 分子名称: (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ... 著者 Hilario, E, Dunn, M.F, Mueller, L.J. 登録日 2020-08-02 公開日 2021-08-04 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 The external aldimine form of mutant beta-S377A Salmonella thypi tryptophan synthase in open conformation showing dual side chain conformations for the residue beta-Q114, sodium ion at the metal coordination site, and F9 inhibitor at the alpha-site. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. To be Published
3WQN	Crystal structure of Rv3378c_Y51F with TPP 分子名称: (2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate, Diterpene synthase, PHOSPHATE ION 著者 Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. 登録日 2014-01-28 公開日 2014-02-26 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis. J.Am.Chem.Soc., 136, 2014
3QMT	Crystal structure of the mutant V182A,Y206F of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with the inhibitor BMP 分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine 5'-phosphate decarboxylase 著者 Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. 登録日 2011-02-05 公開日 2012-02-08 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.3202 Å) 主引用文献 Conformational changes in orotidine 5'-monophosphate decarboxylase: a structure-based explanation for how the 5'-phosphate group activates the enzyme. Biochemistry, 51, 2012
5RSP	PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000002560357 分子名称: 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, Non-structural protein 3 著者 Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. 登録日 2020-09-28 公開日 2020-12-16 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.02 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
3QNB	Crystal Structure of an Engineered OXA-10 Variant with Carbapenemase Activity, OXA-10loop24 分子名称: 1,2-ETHANEDIOL, Oxacillinase, SULFATE ION 著者 De Luca, F, Benvenuti, M, Carboni, F, Pozzi, C, Rossolini, G.M, Mangani, S, Docquier, J.D. 登録日 2011-02-08 公開日 2011-11-02 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Evolution to carbapenem-hydrolyzing activity in noncarbapenemase class D {beta}-lactamase OXA-10 by rational protein design. Proc.Natl.Acad.Sci.USA, 108, 2011
4CH2	Low-salt crystal structure of a thrombin-GpIbalpha peptide complex 分子名称: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, PLATELET GLYCOPROTEIN IB ALPHA CHAIN, ... 著者 Lechtenberg, B.C, Freund, S.M.V, Huntington, J.A. 登録日 2013-11-28 公開日 2013-12-11 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Gpibalpha Interacts Exclusively with Exosite II of Thrombin J.Mol.Biol., 426, 2014
3KGD	Crystal structure of E. coli RNA 3' cyclase 分子名称: ADENOSINE MONOPHOSPHATE, GLYCEROL, RNA 3'-terminal phosphate cyclase, ... 著者 Shuman, S, Tanaka, N, Smith, P. 登録日 2009-10-28 公開日 2010-04-21 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Structure of the RNA 3'-phosphate cyclase-adenylate intermediate illuminates nucleotide specificity and covalent nucleotidyl transfer. Structure, 18, 2010
4ND6	Crystal structure of apo 3-nitro-tyrosine tRNA synthetase (5B) in the open form 分子名称: GLYCEROL, Tyrosine-tRNA ligase 著者 Cooley, R.B, Driggers, C.M, Karplus, P.A, Mehl, R.A. 登録日 2013-10-25 公開日 2014-03-19 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural Basis of Improved Second-Generation 3-Nitro-tyrosine tRNA Synthetases. Biochemistry, 53, 2014

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