PDB: 224004 件ウェブページステータス検索Chemie searchBIRD

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7N2X	The crystal structure of an FMN-dependent NADH:quinone oxidoreductase, AzoR from Escherichia coli 分子名称: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, 2-AMINO-ACRYLIC ACID, ... 著者 Arcinas, A.J, Fedorov, E, Kelly, L, Almo, S.C, Ghosh, A. 登録日 2021-05-30 公開日 2022-08-31 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Uncovering a novel mechanism of enzyme activation in multimeric azoreductases To Be Published
4D9O	Structure of ebolavirus protein VP24 from Reston 分子名称: Membrane-associated protein VP24 著者 Zhang, A.P.P. 登録日 2012-01-11 公開日 2012-04-18 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The ebola virus interferon antagonist VP24 directly binds STAT1 and has a novel, pyramidal fold Plos Pathog., 8, 2012
4LT9	Crystal Structure of Engineered Protein, Northeast Structural Genomics Consortium Target OR404 分子名称: Engineered Protein OR404 著者 Vorobiev, S, Su, M, Bjelic, S, Kipnis, Y, Wang, L, Sahdev, S, Xiao, R, Kogan, S, Maglaqui, M, Baker, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) 登録日 2013-07-23 公開日 2013-08-14 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystal Structure of Engineered Protein OR404. To be Published
4M2Y	Structure of human DNA polymerase beta complexed with 8-BrG as the template base in a 1-nucleotide gapped DNA 分子名称: DNA polymerase beta, SODIUM ION, down-primer, ... 著者 Koag, M.C, Min, K, Monzingo, A.F, Lee, S. 登録日 2013-08-05 公開日 2014-01-22 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.27 Å) 主引用文献 Structural basis for promutagenicity of 8-halogenated Guanine. J.Biol.Chem., 289, 2014
4DVV	Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AS-I-261 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-{[(4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-N'-(4-chloro-3-fluorophenyl)ethanediamide, ... 著者 Kwon, Y.D, Kwong, P.D. 登録日 2012-02-23 公開日 2013-02-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Crystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site. Plos One, 9, 2014
4M1I	X-ray crystal structure of Chlamydia trachomatis Mn(II)Fe(II)-NrdB 分子名称: ACETIC ACID, FE (III) ION, HEXAETHYLENE GLYCOL, ... 著者 Boal, A.K, Rosenzweig, A.C. 登録日 2013-08-02 公開日 2013-08-21 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural Basis for Assembly of the Mn(IV)/Fe(III) Cofactor in the Class Ic Ribonucleotide Reductase from Chlamydia trachomatis. Biochemistry, 52, 2013
4DU8	Crystal structure of Staphylococcus epidermidis D283A mevalonate diphosphate decarboxylase complexed with inhibitor DPGP 分子名称: 1-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}acetyl)-L-proline, GLYCEROL, Mevalonate diphosphate decarboxylase 著者 Barta, M.L, McWhorter, W.J, Geisbrecht, B.V. 登録日 2012-02-21 公開日 2012-07-11 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural basis for nucleotide binding and reaction catalysis in mevalonate diphosphate decarboxylase. Biochemistry, 51, 2012
4MHB	Structure of a putative reductase from Yersinia pestis 分子名称: Putative aldo/keto reductase, SULFATE ION 著者 Anderson, S.M, Wawrzak, Z, Kudritska, M, Kwon, K, Rembert, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2013-08-29 公開日 2013-10-16 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure of a putative reductase from Yersinia pestis To be Published
7AV1	LTA4 hydrolase in complex with fragment2 分子名称: 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine, ACETATE ION, IMIDAZOLE, ... 著者 Srinivas, H. 登録日 2020-11-03 公開日 2021-02-17 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A 4 Hydrolase. J.Med.Chem., 64, 2021
4DI5	Co-crystal structure of WT 5-epi-Aristolochene synthase from Nicotiana tobaccum with geraniline 分子名称: 5-epi-aristolochene synthase, ACETATE ION, DIPHOSPHATE, ... 著者 Noel, J.P, Starks, C, Crenshaw, C.M. 登録日 2012-01-30 公開日 2012-02-29 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Co-crystal structure of WT 5-epi-Aristolochene synthase from Nicotiana tobaccum with geraniline To be Published
7AM5	Crystal structure of Peptiligase mutant - L217H/M222P/A225N 分子名称: SODIUM ION, Subtilisin BPN' 著者 Rozeboom, H.J, Janssen, D.J. 登録日 2020-10-08 公開日 2021-02-17 最終更新日 2021-03-24 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase. Comput Struct Biotechnol J, 19, 2021
4DVR	Crystal structure of YU2 gp120 core in complex with Fab 48d and NBD-557 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, Fab 48d Heavy chain, ... 著者 Kwon, Y.D, Kwong, P.D. 登録日 2012-02-23 公開日 2013-02-27 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site. Plos One, 9, 2014
4LXI	Crystal Structure of the S105A mutant of a carbon-carbon bond hydrolase, DxnB2 from Sphingomonas wittichii RW1, in complex with 5,8-diF HOPDA 分子名称: (3E,5R)-5-fluoro-6-(2-fluorophenyl)-2,6-dioxohex-3-enoic acid, MCP Hydrolase, SODIUM ION 著者 Bhowmik, S, Bolin, J.T. 登録日 2013-07-29 公開日 2013-10-09 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 A substrate-assisted mechanism of nucleophile activation in a ser-his-asp containing C-C bond hydrolase. Biochemistry, 52, 2013
7AW2	MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library 分子名称: 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine, Tyrosine-protein kinase Mer 著者 Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. 登録日 2020-11-06 公開日 2021-03-03 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
7AVZ	MerTK kinase domain in complex with a bisaminopyrimidine inhibitor 分子名称: (R)-N2-(4-(cyclopropylmethoxy)-3,5-difluorophenyl)-5-(3-methylpiperazin-1-yl)-N4-(tetrahydro-2H-pyran-4-yl)pyrimidine-2,4-diamine, Tyrosine-protein kinase Mer 著者 Pflug, A, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Preston, M, Rawlins, P, Rivers, E, Schimpl, M, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. 登録日 2020-11-06 公開日 2021-03-03 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
7AW1	MerTK kinase domain in complex with a type 2 inhibitor 分子名称: N-(6-(4-(3-(4-((5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)methyl)-3-(trifluoromethyl)phenyl)ureido)phenoxy)pyrimidin-4-yl)cyclopropanecarboxamide, Tyrosine-protein kinase Mer 著者 Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S. 登録日 2020-11-06 公開日 2021-03-03 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy. J.Med.Chem., 64, 2021
4MI7	Crystal Structure of Salmonella Effector Protein GtgE 分子名称: Bacteriophage encoded virulence factor, SULFATE ION 著者 Kohler, A.C, Stebbins, C.E. 登録日 2013-08-30 公開日 2014-02-12 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structural and enzymatic characterization of a host-specificity determinant from Salmonella. Acta Crystallogr.,Sect.D, 70, 2014
4DFL	Crystal structure of spleen tyrosine kinase complexed with a sulfonamidopyrazine piperidine inhibitor 分子名称: 1,2-ETHANEDIOL, 3-amino-6-{3-[(methylsulfonyl)amino]phenyl}-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide, SULFATE ION, ... 著者 Lopez, M, Segarra, V, Vidal, B, Wenzkowski, C, Jestel, A, Krapp, S, Blaesse, M, Nagel, S, Schreiner, P. 登録日 2012-01-24 公開日 2012-04-25 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Pyrazine-based Syk kinase inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
4DKQ	Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with DMJ-I-228 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, N-[(1S,2S)-2-carbamimidamido-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide, ... 著者 Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. 登録日 2012-02-03 公開日 2012-05-02 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.888 Å) 主引用文献 Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors. J.Med.Chem., 55, 2012
7TDP	Structure of Paenibacillus polymyxa GS bound to Met-Sox-P-ADP (Transition state complex) to 1.98 Angstom 分子名称: ADENOSINE-5'-DIPHOSPHATE, Glutamine synthetase, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ... 著者 Schumacher, M.A. 登録日 2022-01-02 公開日 2022-06-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria. Nat Commun, 13, 2022
4L2N	Understanding Extradiol Dioxygenase Mechanism in NAD+ Biosynthesis by Viewing Catalytic Intermediates - ligand-free structure 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, CHLORIDE ION, ... 著者 Liu, F, Liu, A. 登録日 2013-06-04 公開日 2015-05-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.74 Å) 主引用文献 An Iron Reservoir to the Catalytic Metal: THE RUBREDOXIN IRON IN AN EXTRADIOL DIOXYGENASE. J.Biol.Chem., 290, 2015
4DNM	Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound hepes, space group p3221 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Amidohydrolase 2, GLYCEROL, ... 著者 Vetting, M.W, Toro, R, Bhosle, R, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) 登録日 2012-02-08 公開日 2012-02-29 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound hepes, space group p3221 to be published
7TDV	Crystal structure of S. aureus glutamine synthetase in Met-Sox-P/ADP transition state complex 分子名称: ADENOSINE-5'-DIPHOSPHATE, Glutamine synthetase, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, ... 著者 Schumacher, M.A. 登録日 2022-01-03 公開日 2022-06-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.92 Å) 主引用文献 Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria. Nat Commun, 13, 2022
7TEN	Crystal structure of the Listeria monocytogenes GS-Met-Sox-P- ADP complex to 3.5 Angstrom 分子名称: ADENOSINE-5'-DIPHOSPHATE, Glutamine synthetase, L-METHIONINE-S-SULFOXIMINE PHOSPHATE 著者 Schumacher, M.A. 登録日 2022-01-05 公開日 2022-06-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (3.5 Å) 主引用文献 Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria. Nat Commun, 13, 2022
4DJW	Structure of BACE Bound to 2-imino-3-methyl-5-phenyl-5-(3-(pyridin-3-yl)phenyl)imidazolidin-4-one 分子名称: (2E,5R)-2-imino-3-methyl-5-phenyl-5-[3-(pyridin-3-yl)phenyl]imidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID 著者 Strickland, C, Cumming, J. 登録日 2012-02-02 公開日 2012-03-21 最終更新日 2012-04-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor. Bioorg.Med.Chem.Lett., 22, 2012

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