PDB: 36840 件ウェブページステータス検索Chemie searchBIRD

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6VPM	TPX2 residues 7-20 fused to Aurora A residues 116-389 with C290 disulfide bonded to compound 8-34, and in complex with AMP-PNP 分子名称: ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, MALONIC ACID, ... 著者 Lim, D.C, Yaffe, M.B. 登録日 2020-02-03 公開日 2020-08-05 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Redox priming promotes Aurora A activation during mitosis. Sci.Signal., 13, 2020
6VRE	Structure of ASK1 bound to BIO-1772961 分子名称: 3-methoxy-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}-1-(pyrazin-2-yl)-1H-pyrazole-4-carboxamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase 5 著者 Chodaparambil, J.V, Marcotte, D.J. 登録日 2020-02-07 公開日 2020-05-06 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Discovery of CNS-Penetrant Apoptosis Signal-Regulating Kinase 1 (ASK1) Inhibitors. Acs Med.Chem.Lett., 11, 2020
6VLT	Crystal Structure of Human P450 2C9*2 Genetic Variant in Complex with Losartan 分子名称: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2C9, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Shah, M.B. 登録日 2020-01-25 公開日 2020-09-30 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (3.12 Å) 主引用文献 Structure of Cytochrome P450 2C9*2 in Complex with Losartan: Insights into the Effect of Genetic Polymorphism. Mol.Pharmacol., 98, 2020
6VMJ	Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12 分子名称: CITRIC ACID, Complement factor D, Fab20D12 Light Chain, ... 著者 Wu, P, Harris, S.F, Eigenbrot, C. 登録日 2020-01-28 公開日 2021-02-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 Crystal structure of human Complement Factor D with anti-Factor D Fab 20D12 To Be Published
5EXL	FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide 分子名称: 1,2-ETHANEDIOL, 4-(aminomethyl)-~{N}-[(1~{S})-1-[4-(3-oxidanyl-1~{H}-indazol-5-yl)pyridin-2-yl]-2-phenyl-ethyl]cyclohexane-1-carboxamide, Coagulation factor XIa light chain, ... 著者 Wei, A. 登録日 2015-11-23 公開日 2016-04-13 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group Bioorg.Med.Chem., 24, 2016
5EY4	Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 2'-deoxy-ATP 分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 78 kDa glucose-regulated protein 著者 Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W. 登録日 2015-11-24 公開日 2016-06-15 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs. Plos One, 11, 2016
6VPI	TPX2 residues 7-20 fused to Aurora A residues 116-389 C247V + D256N + C319V triple mutant disulfide homodimer in complex with AMP-PNP 分子名称: MAGNESIUM ION, MALONIC ACID, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... 著者 Lim, D.C, Yaffe, M.B. 登録日 2020-02-03 公開日 2020-08-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Redox priming promotes Aurora A activation during mitosis. Sci.Signal., 13, 2020
5EYO	The crystal structure of the Max bHLH domain in complex with 5-carboxyl cytosine DNA 分子名称: DNA (5'-D(*AP*GP*TP*AP*GP*CP*AP*(1CC)P*GP*TP*GP*CP*TP*AP*CP*T)-3'), Protein max 著者 Wang, D, Hashimoto, H, Zhang, X, Cheng, X. 登録日 2015-11-25 公開日 2016-12-14 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.39 Å) 主引用文献 MAX is an epigenetic sensor of 5-carboxylcytosine and is altered in multiple myeloma. Nucleic Acids Res., 45, 2017
5EX6	Structure of P450 StaH from glycopeptide antibiotic A47934 biosynthesis 分子名称: 1,2-ETHANEDIOL, Cytochrome P450, GLYCEROL, ... 著者 Cryle, M.J, Ulrich, V. 登録日 2015-11-23 公開日 2016-08-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 More than just recruitment: the X-domain influences catalysis of the first phenolic coupling reaction in A47934 biosynthesis by Cytochrome P450 StaH. Mol Biosyst, 12, 2016
6VJX	The crystal structure of 4-isobutylbenzoic acid-bound CYP199A4 分子名称: 4-(2-methylpropyl)benzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Doherty, Z.D, Bell, S.G, Bruning, J. 登録日 2020-01-18 公開日 2021-01-20 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.788 Å) 主引用文献 The crystal structure of 4-isobutylbenzoic acid-bound CYP199A4 To Be Published
5EYS	Crystal structure of murine neuroglobin mutant F106W at ambient pressure 分子名称: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Colloc'h, N, Girard, E, Vallone, B, Prange, T. 登録日 2015-11-25 公開日 2016-10-19 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography. Sci Rep, 7, 2017
5EZX	CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH {(1R,2R)-2-[(R)-2-Amino-4-(4-difluoromethoxy-phenyl)-4,5-dihydro-oxazol-4-yl]-cyclopropyl}-(5-chloro-pyridin-3-yl)-methanone 分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ... 著者 Banner, D, Benz, J, Stihle, M, Kuglstatter, A. 登録日 2015-11-27 公開日 2016-02-24 最終更新日 2016-05-25 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
5F0X	Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 2'-deoxy-ADP and inorganic phosphate 分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, 78 kDa glucose-regulated protein, ... 著者 Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W. 登録日 2015-11-28 公開日 2016-06-15 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs. Plos One, 11, 2016
5F01	CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (1SR,2SR)-2-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-N-(3-chloroquinolin-8-yl)cyclopropanecarboxamide 分子名称: (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide, ACETATE ION, Beta-secretase 1, ... 著者 Banner, D, Benz, J, Stihle, M, Kuglstatter, A. 登録日 2015-11-27 公開日 2016-02-24 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.52 Å) 主引用文献 A Real-World Perspective on Molecular Design. J.Med.Chem., 59, 2016
5F0B	Crystal structure of murine neuroglobin mutant F106W at 280 MPa pressure 分子名称: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Colloc'h, N, Girard, E, Vallone, B, Prange, T. 登録日 2015-11-27 公開日 2016-10-19 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.146 Å) 主引用文献 Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography. Sci Rep, 7, 2017
5F2E	Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C 分子名称: 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one, GLYCEROL, GLYCINE, ... 著者 Patricelli, M.P, Janes, M.R, Li, L.-S, Hansen, R, Peters, U, Kessler, L.V, Chen, Y, Kucharski, J.M, Feng, J, Ely, T, Chen, J.H, Firdaus, S.J, Babbar, A, Ren, P, Liu, Y. 登録日 2015-12-01 公開日 2016-01-13 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Selective Inhibition of Oncogenic KRAS Output with Small Molecules Targeting the Inactive State. Cancer Discov, 6, 2016
5F6M	Isotropic Trypsin Model for Comparison of Diffuse Scattering 分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... 著者 Van Benschoten, A.H, Wall, M.E, Fraser, J.S. 登録日 2015-12-06 公開日 2016-01-06 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Measuring and modeling diffuse scattering in protein X-ray crystallography. Proc.Natl.Acad.Sci.USA, 113, 2016
5EX5	Crystal structure of human GRP78 (70kDa heat shock protein 5 / BIP) ATPase domain in complex with 7-deaza-ADP and inorganic phosphate 分子名称: 7-deazaadenosine-5'-diphosphate, 78 kDa glucose-regulated protein, MAGNESIUM ION, ... 著者 Hughes, S.J, Antoshchenko, T, Song, J.H, Pizarro, J, Park, H.W. 登録日 2015-11-23 公開日 2016-06-15 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Probing the ATP Site of GRP78 with Nucleotide Triphosphate Analogs. Plos One, 11, 2016
5EXM	FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate 分子名称: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, SULFATE ION, ... 著者 Wei, A. 登録日 2015-11-23 公開日 2016-04-13 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group Bioorg.Med.Chem., 24, 2016
5F14	Structure of native hen egg-white lysozyme 分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION 著者 McGlone, C, Nix, J.C, Page, R.C. 登録日 2015-11-30 公開日 2016-02-24 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.148 Å) 主引用文献 Investigating the Impact of Polymer Functional Groups on the Stability and Activity of Lysozyme-Polymer Conjugates. Biomacromolecules, 17, 2016
5F2Q	C-type lectin from Bothrops jararacussu 分子名称: C-type lectin BJcuL, CALCIUM ION, SODIUM ION 著者 de Padua, R.A.P, Pinheiro, M.P, Sartim, M.A, Sampaio, S.V, Nonato, M.C. 登録日 2015-12-02 公開日 2016-12-07 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.95 Å) 主引用文献 C-type lectin from Bothrops jararacussu To Be Published
5EYM	MEK1 IN COMPLEX WITH BI 847325 分子名称: 3-[(3~{Z})-3-[[[4-[(dimethylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1~{H}-indol-6-yl]-~{N}-ethyl-prop-2-ynamide, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1 著者 Bader, G, Reiser, U, Zahn, S.K, Treu, M. 登録日 2015-11-25 公開日 2016-08-17 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases. Mol.Cancer Ther., 15, 2016
5EZ6	Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA 分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA 著者 Yan, Z, Ma, S, Zhang, Y, Ma, L, Wang, F, Li, J, Miao, L. 登録日 2015-11-26 公開日 2016-12-07 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA To Be Published
5F2A	Crystal structure of murine neuroglobin mutant F106W at 310 MPa pressure 分子名称: Neuroglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION 著者 Colloc'h, N, Girard, E, Vallone, B, Prange, T. 登録日 2015-12-01 公開日 2016-10-19 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Determinants of neuroglobin plasticity highlighted by joint coarse-grained simulations and high pressure crystallography. Sci Rep, 7, 2017
5EST	Crystallographic analysis of the inhibition of porcine pancreatic elastase by a peptidyl boronic acid: structure of a reaction intermediate 分子名称: CALCIUM ION, ELASTASE, N~2~-[(benzyloxy)carbonyl]-N-[(1R,2S)-1-(dihydroxyboranyl)-2-methylbutyl]-L-alaninamide, ... 著者 Takahashi, L.H, Radhakrishnan, R, Rosenfieldjunior, R.E, Meyerjunior, E.F. 登録日 1989-05-15 公開日 1992-04-15 最終更新日 2024-06-05 実験手法 X-RAY DIFFRACTION (2.09 Å) 主引用文献 Crystallographic analysis of the inhibition of porcine pancreatic elastase by a peptidyl boronic acid: structure of a reaction intermediate. Biochemistry, 28, 1989

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