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

---

5ZAJ	uPA-31F 分子名称: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide, Urokinase-type plasminogen activator chain B 著者 Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M. 登録日 2018-02-07 公開日 2018-12-19 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer. J. Med. Chem., 61, 2018
5VT8	Crystal Structure of Mouse Cadherin-23 EC24-25 分子名称: CALCIUM ION, Cadherin-23 著者 Jaiganesh, A, Sotomayor, M. 登録日 2017-05-15 公開日 2018-05-23 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.92 Å) 主引用文献 Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness. Structure, 26, 2018
8FP5	CDK2 liganded with ATP and Mg2+ 分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Cyclin-dependent kinase 2, ... 著者 Schonbrunn, E, Sun, L. 登録日 2023-01-04 公開日 2023-05-31 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Development of allosteric and selective CDK2 inhibitors for contraception with negative cooperativity to cyclin binding. Nat Commun, 14, 2023
5W1D	Crystal Structure of Mouse Protocadherin-15 EC4-7 分子名称: CALCIUM ION, POTASSIUM ION, Protocadherin-15 著者 Klanseck, C.F, Neel, B.L, Sotomayor, M. 登録日 2017-06-02 公開日 2018-06-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.35 Å) 主引用文献 Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception. Proc.Natl.Acad.Sci.USA, 2020
6K2R	Crystal structure of proteinase K from Engyodontium album 分子名称: CALCIUM ION, NITRATE ION, Proteinase K 著者 Sugahara, M, Motomura, K, Numata, K. 登録日 2019-05-15 公開日 2020-05-20 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of proteinase K from Engyodontium album To Be Published
6DTK	Heterodimers of FALS mutant SOD enzyme 分子名称: COPPER (II) ION, MALONATE ION, Superoxide dismutase C111S/D83S-C111S HETERODIMER, ... 著者 Streltsov, V.A, Nuttall, S.D, Ganio, K.E, Roberts, B. 登録日 2018-06-17 公開日 2019-06-19 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural characterization of heterodimers of FALS mutant SOD enzyme To Be Published
6KH8	Solution structure of Zn free Bovine Pancreatic Insulin in 20% acetic acid-d4 (pH 1.9) 分子名称: Insulin A Chain, Insulin B chain 著者 Bhunia, A, Ratha, B.N, Kar, R.K, Brender, J.R. 登録日 2019-07-14 公開日 2020-10-07 最終更新日 2020-11-18 実験手法 SOLUTION NMR 主引用文献 High-resolution structure of a partially folded insulin aggregation intermediate. Proteins, 88, 2020
5W4T	Crystal Structure of Fish Cadherin-23 EC1-3 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... 著者 De-la-Torre, P, Sotomayor, M. 登録日 2017-06-12 公開日 2018-06-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness. Structure, 26, 2018
7LS3	Co-complex CYP46A1 with 8114 (3f) 分子名称: (5-methyl-2-pyridin-4-yl-phenyl)-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]methanone, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE 著者 Lane, W, Yano, J. 登録日 2021-02-17 公開日 2021-08-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H). J.Med.Chem., 64, 2021
5YXZ	Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484 分子名称: 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ... 著者 Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R. 登録日 2017-12-07 公開日 2018-04-18 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484 To Be Published
5YY1	Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739 分子名称: 1,2-ETHANEDIOL, 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one, GTPase KRas, ... 著者 Swaminathan, S, Thakur, M.K, Kandan, S, Gautam, A, Kanavalli, M, Simhadri, P, Gosu, R. 登録日 2017-12-07 公開日 2018-04-18 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739 To Be Published
7TND	The crystal structure of CYP199A4 bound to 4-phenoxybenzoic acid 分子名称: 4-phenoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M, Bell, S.G. 登録日 2022-01-20 公開日 2023-01-04 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.825 Å) 主引用文献 Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry, 28, 2022
5VZQ	Sperm whale myoglobin V68A/I107Y with nitric oxide 分子名称: Myoglobin, NITRIC OXIDE, NITRITE ION, ... 著者 Wang, B, Thomas, L.M, Richter-Addo, G.B. 登録日 2017-05-29 公開日 2018-06-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
7TNF	The crystal structure of F298V CYP199A4 bound to 4-phenylbenzoic acid 分子名称: CHLORIDE ION, Cytochrome P450, MAGNESIUM ION, ... 著者 Podgorski, M, Bell, S.G. 登録日 2022-01-21 公開日 2023-01-04 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.539 Å) 主引用文献 Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry, 28, 2022
7LRL	Co-complex CYP46A1 with 7742 (Soticlestat/TAK-935)) 分子名称: Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]-(2-pyridin-4-ylpyridin-3-yl)methanone 著者 Lane, W, Yano, J. 登録日 2021-02-16 公開日 2021-08-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.995 Å) 主引用文献 Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H). J.Med.Chem., 64, 2021
7TNU	The crystal structure of F298V CYP199A4 bound to 4-cyclohexylbenzoic acid 分子名称: 4-cyclohexylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M, Bell, S.G. 登録日 2022-01-21 公開日 2023-01-04 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.584 Å) 主引用文献 Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering. Chemistry, 28, 2022
6D52	Superoxide dismutase SodCI of Salmonella enterica serovar Typhimurium at 1.6 Angstrom resolution 分子名称: COPPER (II) ION, Superoxide dismutase [Cu-Zn] 1, ZINC ION 著者 Newhouse IX, P.W, Forest, K.T, Satyshur, K.A. 登録日 2018-04-19 公開日 2019-05-15 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Superoxide dismutase SodCI of Salmonella enterica serovar Typhimurium at 1.6 Angstrom resolution to be published
7LS4	Co-complex CYP46A1 with 9129 (1b) 分子名称: Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE, [5,5-dimethyl-3-(2-methylphenyl)-4~{H}-pyrazol-1-yl]-pyridin-4-yl-methanone 著者 Lane, W, Yano, J. 登録日 2021-02-17 公開日 2021-08-25 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Discovery of Soticlestat, a Potent and Selective Inhibitor for Cholesterol 24-Hydroxylase (CH24H). J.Med.Chem., 64, 2021
7TP6	The crystal structure of T252E CYP199A4 bound to 4-methylthiobenzoic acid 分子名称: 4-methylsulfanylbenzoic acid, ACETATE ION, CHLORIDE ION, ... 著者 Podgorski, M, Bell, S.G. 登録日 2022-01-25 公開日 2023-01-04 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.655 Å) 主引用文献 Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions. Chemistry, 28, 2022
7TP5	The crystal structure of T252E CYP199A4 bound to 4-ethylthiobenzoic acid 分子名称: 4-(ethylsulfanyl)benzoic acid, ACETATE ION, CHLORIDE ION, ... 著者 Podgorski, M, Bell, S.G. 登録日 2022-01-25 公開日 2023-01-04 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.655 Å) 主引用文献 Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions. Chemistry, 28, 2022
4P9V	Grb2 SH2 complexed with a pTyr-Ac6cN-Asn tripeptide 分子名称: CHLORIDE ION, Growth factor receptor-bound protein 2, PHQ-PTR-02K-ASN-NH2 著者 Clements, J.H, Martin, S.F. 登録日 2014-04-06 公開日 2014-06-18 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Protein-ligand interactions: Probing the energetics of a putative cation-pi interaction. Bioorg.Med.Chem.Lett., 24, 2014
5W26	INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 4-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID 分子名称: (2R,3R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (2~{R},3~{R},5~{R})-3-acetamido-5-fluoranyl-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Streltsov, V.A, Mckimm-Breschkin, J, Barrett, S, Pilling, P, Hader, S, Watt, A.G. 登録日 2017-06-05 公開日 2018-02-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives. J. Med. Chem., 61, 2018
7TQM	The crystal structure of D251N CYP199A4 bound to 4-methylthiobenzoic acid 分子名称: 4-methylsulfanylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M, Bell, S.G. 登録日 2022-01-26 公開日 2023-01-04 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.438 Å) 主引用文献 Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions. Chemistry, 28, 2022
4P2P	AN INDEPENDENT CRYSTALLOGRAPHIC REFINEMENT OF PORCINE PHOSPHOLIPASE A2 AT 2.4 ANGSTROMS RESOLUTION 分子名称: CALCIUM ION, PHOSPHOLIPASE A2 著者 Finzel, B.C, Ohlendorf, D.H, Weber, P.C, Salemme, F.R. 登録日 1991-10-22 公開日 1992-01-15 最終更新日 2017-11-29 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 An independent crystallographic refinement of porcine phospholipase A2 at 2.4 A resolution Acta Crystallogr.,Sect.B, 47, 1991
5VP7	Crystal structure of human KRAS G12A mutant in complex with GDP 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Xu, S, Long, B, Boris, G, Chen, A, Ni, S, Kennedy, M.A. 登録日 2017-05-04 公開日 2017-12-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017

<216217218219220221222223224225226227228229230231>