PDB: 46984 件ウェブページステータス検索Chemie searchBIRD

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4A9Y	P38ALPHA MAP KINASE BOUND TO CMPD 8 分子名称: MITOGEN-ACTIVATED PROTEIN KINASE 14, N-(3-{[7-METHOXY-6-(2-PYRROLIDIN-1-YLETHOXY)QUINAZOLIN-4-YL]AMINO}-4-METHYLPHENYL)-2-MORPHOLIN-4-YLISONICOTINAMIDE 著者 Gerhardt, S, Hargreaves, D. 登録日 2011-11-29 公開日 2012-05-16 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
4AAC	P38ALPHA MAP KINASE BOUND TO CMPD 29 分子名称: CHLORIDE ION, MITOGEN-ACTIVATED PROTEIN KINASE 14, N-isoxazol-3-yl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxo-quinazolin-3-yl]benzamide 著者 Gerhardt, S, Hargreaves, D. 登録日 2011-12-01 公開日 2012-05-16 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 The Discovery of N-Cyclopropyl-4-Methyl-3-[6--(4-Methylpiperazin-1-Yl-4-Oxoquinazolin-3(4H)-Yl]Benzamide (Azd6703), a Clinical P38Alpha Map Kinase Inhibitor for the Treatment of Inflammatory Diseases Bioorg.Med.Chem.Lett., 22, 2012
3PIP	Crystal structure of the synergistic antibiotic pair lankamycin and lankacidin in complex with the large ribosomal subunit 分子名称: 50S ribosomal protein L11, 50S ribosomal protein L13, 50S ribosomal protein L14, ... 著者 Belousoff, M.J, Shapira, T, Bashan, A, Zimmerman, E, Kinashi, H, Rozenberg, H, Yonath, A. 登録日 2010-11-07 公開日 2011-02-23 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (3.45 Å) 主引用文献 Crystal structure of the synergistic antibiotic pair, lankamycin and lankacidin, in complex with the large ribosomal subunit. Proc.Natl.Acad.Sci.USA, 108, 2011
6U3G	Best fitting antiparallel model for Volume 2 of truncated dimeric Cytohesin-3 (Grp1; amino acids 14-399) 分子名称: Cytohesin-3, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE 著者 Das, S, Lambright, D.G. 登録日 2019-08-21 公開日 2019-09-25 最終更新日 2023-11-29 実験手法 ELECTRON MICROSCOPY (53 Å) 主引用文献 Structural Organization and Dynamics of Homodimeric Cytohesin Family Arf GTPase Exchange Factors in Solution and on Membranes. Structure, 27, 2019
7DDI	Crystal structures of Na+,K+-ATPase in complex with digitoxin 分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Ogawa, H, Cornelius, F, Kanai, R, Motoyama, K, Vilsen, B, Toyoshima, C. 登録日 2020-10-29 公開日 2021-01-27 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (3.72 Å) 主引用文献 Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state. Proc.Natl.Acad.Sci.USA, 118, 2021
3P5K	P38 inhibitor-bound 分子名称: 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Namboodiri, H. 登録日 2010-10-08 公開日 2011-11-02 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
2C8T	The 3.0 A Resolution Structure of Caseinolytic Clp Protease 1 from Mycobacterium tuberculosis 分子名称: ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 著者 Ingvarsson, H, Hogbom, M, Jones, T.A, Unge, T. 登録日 2005-12-07 公開日 2007-02-06 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Insights Into the Inter-Ring Plasticity of Caseinolytic Proteases from the X-Ray Structure of Mycobacterium Tuberculosis Clpp1. Acta Crystallogr.,Sect.D, 63, 2007
2DB4	Crystal structure of rotor ring with DCCD of the V- ATPase from Enterococcus hirae 分子名称: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, DICYCLOHEXYLUREA, SODIUM ION, ... 著者 Murata, T, Yamato, I, Kakinuma, Y, Shirouzu, M, Walker, J.E, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) 登録日 2005-12-15 公開日 2006-12-05 最終更新日 2012-05-23 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Structure of the rotor ring modified with N,N'-dicyclohexylcarbodiimide of the Na+-transporting vacuolar ATPase. Proc.Natl.Acad.Sci.USA, 108, 2011
2DNJ	DNASE I-INDUCED DNA CONFORMATION. 2 ANGSTROMS STRUCTURE OF A DNASE I-OCTAMER COMPLEX 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-D(*GP*CP*GP*AP*TP*C)-3', 5'-D(*GP*CP*GP*AP*TP*CP*GP*C)-3', ... 著者 Lahm, A, Suck, D. 登録日 1986-10-21 公開日 1994-01-31 最終更新日 2020-10-21 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 DNase I-induced DNA conformation. 2 A structure of a DNase I-octamer complex J.Mol.Biol., 222, 1991
6SP9	Fragment KCL802 in complex with MAP kinase p38-alpha 分子名称: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, CALCIUM ION, ... 著者 Nichols, C.E, De Nicola, G.F. 登録日 2019-08-31 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.22 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6SOU	Fragment N13565a in complex with MAP kinase p38-alpha 分子名称: 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone, CHLORIDE ION, Mitogen-activated protein kinase 14, ... 著者 Nichols, C.E, De Nicola, G.F. 登録日 2019-08-29 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5MRC	Structure of the yeast mitochondrial ribosome - Class A 分子名称: 15S ribosomal RNA, 21S ribosomal RNA, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Desai, N, Brown, A, Amunts, A, Ramakrishnan, V. 登録日 2016-12-22 公開日 2017-02-15 最終更新日 2018-02-07 実験手法 ELECTRON MICROSCOPY (3.25 Å) 主引用文献 The structure of the yeast mitochondrial ribosome. Science, 355, 2017
5MRE	Structure of the yeast mitochondrial ribosome - Class B 分子名称: 15S ribosomal RNA, 21S ribosomal RNA, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Desai, N, Brown, A, Amunts, A, Ramakrishnan, V. 登録日 2016-12-22 公開日 2017-02-15 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (3.75 Å) 主引用文献 The structure of the yeast mitochondrial ribosome. Science, 355, 2017
2DKH	Crystal structure of 3-hydroxybenzoate hydroxylase from Comamonas testosteroni, in complex with the substrate 分子名称: 3-HYDROXYBENZOIC ACID, 3-hydroxybenzoate hydroxylase, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Hiromoto, T, Fujiwara, S, Hosokawa, K, Yamaguchi, H. 登録日 2006-04-11 公開日 2006-10-24 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of 3-hydroxybenzoate hydroxylase from Comamonas testosteroni has a large tunnel for substrate and oxygen access to the active site J.Mol.Biol., 364, 2006
3Q6Z	HUman PARP14 (ARTD8)-Macro domain 1 in complex with adenosine-5-diphosphoribose 分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Poly [ADP-ribose] polymerase 14 著者 Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Thorsell, A.G, Tresaugues, L, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) 登録日 2011-01-04 公開日 2011-02-09 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.23 Å) 主引用文献 Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains. Structure, 21, 2013
2VKZ	Structure of the cerulenin-inhibited fungal fatty acid synthase type I multienzyme complex 分子名称: (2S, 3R)-3-HYDROXY-4-OXO-7,10-TRANS,TRANS-DODECADIENAMIDE, FATTY ACID SYNTHASE SUBUNIT ALPHA, ... 著者 Johansson, P, Wiltschi, B, Kumari, P, Kessler, B, Vonrhein, C, Vonck, J, Oesterhelt, D, Grininger, M. 登録日 2008-01-07 公開日 2008-08-12 最終更新日 2017-06-21 実験手法 X-RAY DIFFRACTION (4 Å) 主引用文献 Inhibition of the Fungal Fatty Acid Synthase Type I Multienzyme Complex. Proc.Natl.Acad.Sci.USA, 105, 2008
5MRF	Structure of the yeast mitochondrial ribosome - Class C 分子名称: 15S ribosomal RNA, 21S ribosomal RNA, GUANOSINE-5'-DIPHOSPHATE, ... 著者 Desai, N, Brown, A, Amunts, A, Ramakrishnan, V. 登録日 2016-12-22 公開日 2017-02-15 最終更新日 2024-05-15 実験手法 ELECTRON MICROSCOPY (4.97 Å) 主引用文献 The structure of the yeast mitochondrial ribosome. Science, 355, 2017
3O8T	Conformational plasticity of p38 MAP kinase DFG-motif mutants in response to inhibitor binding 分子名称: 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside 著者 Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. 登録日 2010-08-03 公開日 2010-11-17 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding To be Published
3OCG	P38 Alpha kinase complexed with a 5-amino-pyrazole based inhibitor 分子名称: 5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 著者 Sack, J.S. 登録日 2010-08-10 公開日 2010-11-17 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 5-Amino-pyrazoles as potent and selective p38α inhibitors Bioorg.Med.Chem.Lett., 20, 2010
3NXU	Crystal structure of human cytochrome P4503A4 bound to an inhibitor ritonavir 分子名称: Cytochrome P450 3A4, DIMETHYL SULFOXIDE, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Sevrioukova, I.F, Poulos, T.L. 登録日 2010-07-14 公開日 2010-10-20 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure and mechanism of the complex between cytochrome P4503A4 and ritonavir. Proc.Natl.Acad.Sci.USA, 107, 2010
3OBG	Conformational plasticity of p38 MAP kinase DFG mutants in response to inhibitor binding 分子名称: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14 著者 Namboodiri, H.V, Karpusas, M, Bukhtiyarova, M, Springman, E.B. 登録日 2010-08-06 公開日 2010-08-25 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding To be Published
6SO4	Fragment RZ132 in complex with MAP kinase p38-alpha 分子名称: (2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide, CHLORIDE ION, MAGNESIUM ION, ... 著者 Nichols, C.E, De Nicola, G.F. 登録日 2019-08-29 公開日 2019-09-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
6ANL	Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors 分子名称: Mitogen-activated protein kinase 14, TAK-715 著者 Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. 登録日 2017-08-14 公開日 2018-01-17 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors. Bioorg. Med. Chem., 26, 2018
6SOD	Fragment N14056a in complex with MAP kinase p38-alpha 分子名称: 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Nichols, C.E, De Nicola, G.F. 登録日 2019-08-29 公開日 2019-10-02 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.87 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
5OZ3	Automated refinement of diffraction data obtained from an endothiapepsin crystal treated with fragment 14 分子名称: endothiapepsin 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2016-06-28 公開日 2016-08-03 最終更新日 2021-11-17 実験手法 X-RAY DIFFRACTION (1.754 Å) 主引用文献 High-Throughput Crystallography: Reliable and Efficient Identification of Fragment Hits. Structure, 24, 2016

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