PDB: 66507 件ウェブページステータス検索Chemie searchBIRD

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5HMS	X-ray structure of human recombinant 5-aminolaevulinic acid dehydratase (hrALAD). 分子名称: Delta-aminolevulinic acid dehydratase, ZINC ION 著者 Butler, D, Erskine, P.T, Cooper, J.B, Shoolingin-Jordan, P.M. 登録日 2016-01-17 公開日 2016-01-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structural studies of substrate and product complexes of 5-aminolaevulinic acid dehydratase from humans, Escherichia coli and the hyperthermophile Pyrobaculum calidifontis. Acta Crystallogr D Struct Biol, 73, 2017
5HNB	CDK8-CYCC IN COMPLEX WITH [6-Hydroxy-3-(3-methyl-benzyl)-1H-indazol-5-yl]-((S)-3-hydroxy-pyrrolidin-1-yl)-methanone 分子名称: 1,2-ETHANEDIOL, Cyclin-C, Cyclin-dependent kinase 8, ... 著者 Musil, D, Blagg, J, Schiemann, K. 登録日 2016-01-18 公開日 2016-04-27 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 CDK8-CYCC IN COMPLEX WITH [6-Hydroxy-3-(3-methyl-benzyl)-1H-indazol-5-yl]-((S)-3-hydroxy-pyrrolidin-1-yl)-methanone To Be Published
5H6G	Crystal structure of a thermostable lipase from Marine Streptomyces 分子名称: CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... 著者 Hou, S, Zhao, Z, Liu, J. 登録日 2016-11-11 公開日 2017-09-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Crystal structure of a lipase from Streptomyces sp. strain W007 - implications for thermostability and regiospecificity FEBS J., 284, 2017
6E6A	Triclinic crystal form of IncA G144A point mutant 分子名称: Inclusion membrane protein A, SODIUM ION 著者 Cingolani, G, Paumet, F. 登録日 2018-07-24 公開日 2019-07-10 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structural basis for the homotypic fusion of chlamydial inclusions by the SNARE-like protein IncA. Nat Commun, 10, 2019
5H74	Crystal structure of T2R-TTL-14b complex 分子名称: (2~{S},4~{R})-4-[[2-[(1~{R},3~{R})-1-acetyloxy-3-[hexyl-[(2~{S},3~{S})-3-methyl-2-[[(2~{R})-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-4-methyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]-5-(4-fluorophenyl)-2-methyl-pentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... 著者 Wang, Y, Yu, Y, Chen, Q, Yang, J. 登録日 2016-11-17 公開日 2017-11-22 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structure-Activity Relationship Studies of Tubulysin Analogues: Anticancer N-Alkyltubulysins with Subpicomolar Activity and the Crystal Structure Binding to Tubulin To Be Published
5H6M	DNA targeting ADP-ribosyltransferase Pierisin-1 分子名称: 1,2-ETHANEDIOL, Pierisin-1 著者 Oda, T, Hirabayashi, H, Shikauchi, G, Takamura, R, Hiraga, K, Minami, H, Hashimoto, H, Yamamoto, M, Wakabayashi, K, Sugimura, T, Shimizu, T, Sato, M. 登録日 2016-11-14 公開日 2017-08-09 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural basis of autoinhibition and activation of the DNA-targeting ADP-ribosyltransferase pierisin-1 J. Biol. Chem., 292, 2017
5H84	Human Gcn5 bound to propionyl-CoA 分子名称: 1,2-ETHANEDIOL, Histone acetyltransferase KAT2A, ISOPROPYL ALCOHOL, ... 著者 Wolberger, C, Ringel, A.E. 登録日 2015-12-23 公開日 2016-03-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural basis for acyl-group discrimination by human Gcn5L2. Acta Crystallogr D Struct Biol, 72, 2016
5H86	Human Gcn5 bound to butyryl-CoA 分子名称: 1,2-ETHANEDIOL, Butyryl Coenzyme A, Histone acetyltransferase KAT2A 著者 Wolberger, C, Ringel, A.E. 登録日 2015-12-23 公開日 2016-03-23 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Structural basis for acyl-group discrimination by human Gcn5L2. Acta Crystallogr D Struct Biol, 72, 2016
7MZ1	Structure of human DNA polymerase beta complexed with dzA in the template base paired with incoming non-hydrolyzable TTP 分子名称: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, DNA (5'-D(*CP*CP*GP*AP*CP*(4DU)P*TP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*A)-3'), ... 著者 Koag, M.-C, Lee, S. 登録日 2021-05-23 公開日 2022-05-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.175 Å) 主引用文献 Structure of human DNA polymerase beta complexed with dzA in the template base paired with incoming non-hydrolyzable TTP To Be Published
1AP5	TYR34->PHE MUTANT OF HUMAN MITOCHONDRIAL MANGANESE SUPEROXIDE DISMUTASE 分子名称: MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE 著者 Guan, Y, Borgstahl, G.E.O, Tainer, J.A. 登録日 1997-07-24 公開日 1998-01-28 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal structure of Y34F mutant human mitochondrial manganese superoxide dismutase and the functional role of tyrosine 34. Biochemistry, 37, 1998
6ELN	Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation 分子名称: 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha, SULFATE ION 著者 Musil, D, Lehmann, M, Eggenweiler, H.-M. 登録日 2017-09-29 公開日 2018-05-30 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
6ELO	Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation 分子名称: 4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha 著者 Musil, D, Lehmann, M, Eggenweiler, H.-M. 登録日 2017-09-29 公開日 2018-05-30 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018
1AP6	TYR34->PHE MUTANT OF HUMAN MITOCHONDRIAL MANGANESE SUPEROXIDE DISMUTASE 分子名称: MANGANESE (II) ION, MANGANESE SUPEROXIDE DISMUTASE 著者 Guan, Y, Tainer, J.A. 登録日 1997-07-24 公開日 1998-01-28 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of Y34F mutant human mitochondrial manganese superoxide dismutase and the functional role of tyrosine 34. Biochemistry, 37, 1998
1AYI	COLICIN E7 IMMUNITY PROTEIN IM7 分子名称: COLICIN E IMMUNITY PROTEIN 7 著者 Dennis, C.A, Pauptit, R.A, Wallis, R, James, R, Moore, G.R, Kleanthous, C. 登録日 1997-11-04 公開日 1998-01-28 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 A structural comparison of the colicin immunity proteins Im7 and Im9 gives new insights into the molecular determinants of immunity-protein specificity. Biochem.J., 333 ( Pt 1), 1998
6ER2	Ruminococcus gnavus IT-sialidase CBM40 分子名称: BNR/Asp-box repeat protein 著者 Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N. 登録日 2017-10-16 公開日 2018-05-02 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 Unravelling the specificity and mechanism of sialic acid recognition by the gut symbiont Ruminococcus gnavus. Nat Commun, 8, 2017
3O7W	The Crystal Structure of Human Leucine Carboxyl Methyltransferase 1 分子名称: GLYCEROL, Leucine carboxyl methyltransferase 1, S-ADENOSYLMETHIONINE, ... 著者 Tsai, M.L, Cronin, N, Djordjevic, S. 登録日 2010-08-01 公開日 2010-09-08 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 The structure of human leucine carboxyl methyltransferase 1 that regulates protein phosphatase PP2A Acta Crystallogr.,Sect.D, 67, 2011
6E6C	HRAS G13D bound to GppNHp (H13GNP) 分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... 著者 Johnson, C.W, Mattos, C. 登録日 2018-07-24 公開日 2019-07-31 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D. Cell Rep, 28, 2019
1BH0	STRUCTURE OF A GLUCAGON ANALOG 分子名称: GLUCAGON 著者 Sturm, N.S, Lin, Y, Burley, S.K, Krstenansky, J.L, Ahn, J.-M, Azizeh, B.Y, Trivedi, D, Hruby, V.J. 登録日 1998-06-11 公開日 1998-11-04 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structure-function studies on positions 17, 18, and 21 replacement analogues of glucagon: the importance of charged residues and salt bridges in glucagon biological activity. J.Med.Chem., 41, 1998
6E6H	NRAS G13D bound to GppNHp (N13GNP) 分子名称: GTPase NRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER 著者 Johnson, C.W, Mattos, C. 登録日 2018-07-24 公開日 2019-07-31 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D. Cell Rep, 28, 2019
6ELK	C.elegans MnSOD-3 mutant - Q142H 分子名称: GLYCEROL, MANGANESE (II) ION, SULFATE ION, ... 著者 Hunter, G.J, Trinh, C.H, Hunter, T. 登録日 2017-09-29 公開日 2017-12-06 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 A Single Mutation is Sufficient to Modify the Metal Selectivity and Specificity of a Eukaryotic Manganese Superoxide Dismutase to Encompass Iron. Chemistry, 24, 2018
7MX9	Crystal structure of the SARS-CoV-2 ORF8 accessory protein 分子名称: ORF8 protein 著者 Bailey-Elkin, B.A, Stetefeld, J. 登録日 2021-05-18 公開日 2023-01-25 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 The unique ORF8 protein of SARS-CoV-2 binds to human dendritic cells and induces a cytokine storm To Be Published
3O8Z	Crystal structure of Spn1 (Iws1) core domain 分子名称: SULFATE ION, Transcription factor IWS1 著者 McDonald, S.M, Close, D, Hill, C.P. 登録日 2010-08-03 公開日 2010-11-24 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Structure and biological importance of the spn1-spt6 interaction, and its regulatory role in nucleosome binding. Mol.Cell, 40, 2010
6EP7	ARABIDOPSIS THALIANA GSTU23, GSH bound 分子名称: GLUTATHIONE, GLYCEROL, Glutathione S-transferase U23, ... 著者 Tossounian, M.A, Van Molle, I, Wahni, K, Jacques, S, Vertommen, D, Gevaert, K, Van Breusegem, F, Young, D, Rosado, L, Messens, J. 登録日 2017-10-11 公開日 2018-04-11 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.947 Å) 主引用文献 Disulfide bond formation protects Arabidopsis thaliana glutathione transferase tau 23 from oxidative damage. Biochim. Biophys. Acta, 1862, 2018
6EB2	HIV-1 Integrase Catalytic Core Domain Complexed with Allosteric Inhibitor (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid 分子名称: (2S)-[1-(1-benzyl-1H-pyrazol-4-yl)-3-(3,4-dihydro-2H-1-benzopyran-6-yl)isoquinolin-4-yl](tert-butoxy)acetic acid, Integrase 著者 Lindenberger, J.J, Kobe, M, Kvaratskhelia, M. 登録日 2018-08-03 公開日 2019-03-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.493 Å) 主引用文献 An Isoquinoline Scaffold as a Novel Class of Allosteric HIV-1 Integrase Inhibitors. ACS Med Chem Lett, 10, 2019
6EY9	Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation 分子名称: Heat shock protein HSP 90-alpha, SULFATE ION, ~{N}-[(4-chlorophenyl)methyl]-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide 著者 Musil, D, Lehmann, M, Buchstaller, H.-P. 登録日 2017-11-11 公開日 2018-05-30 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations. J Chem Theory Comput, 14, 2018

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