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

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5X2R	Direct Observation of Conformational Population Shifts in Hemoglobin: Crystal Structure of Half-Liganded Hemoglobin after Adding 10 mM phosphate pH 6.9. 分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Ohki, M, Park, S.-Y. 登録日 2017-02-02 公開日 2017-09-20 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Direct observation of conformational population shifts in crystalline human hemoglobin. J. Biol. Chem., 292, 2017
6A7S	Ca2+-independent C-type lectin SPL-2 from Saxidomus purpuratus 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, CALCIUM ION, ... 著者 Unno, H, Hatakeyama, T. 登録日 2018-07-04 公開日 2019-03-20 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Novel Ca2+-independent carbohydrate recognition of the C-type lectins, SPL-1 and SPL-2, from the bivalve Saxidomus purpuratus. Protein Sci., 28, 2019
7B8I	Tetragonal structure of human protein kinase CK2 catalytic subunit in complex with a heparin oligo saccharide 分子名称: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, Casein kinase II subunit alpha, GLYCEROL, ... 著者 Niefind, K, Schnitzler, A. 登録日 2020-12-12 公開日 2021-02-03 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Structural basis for the design of bisubstrate inhibitors of protein kinase CK2 provided by complex structures with the substrate-competitive inhibitor heparin. Eur.J.Med.Chem., 214, 2021
6A4N	HEWL crystals soaked in 2.5M GuHCl for 8 minutes 分子名称: CHLORIDE ION, GLYCEROL, GUANIDINE, ... 著者 Tushar, R, Kini, R.M, Koh, C.Y, Hosur, M.V. 登録日 2018-06-20 公開日 2019-03-13 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 X-ray crystallographic analysis of time-dependent binding of guanidine hydrochloride to HEWL: First steps during protein unfolding. Int. J. Biol. Macromol., 122, 2019
4PYW	1.92 angstrom crystal structure of A1AT:TTAI ternary complex 分子名称: ACE-THR-THR-ALA-ILE-NH2, Alpha-1-antitrypsin, GLYCEROL 著者 Nyon, M.P, Day, J, Gooptu, B. 登録日 2014-03-28 公開日 2015-06-10 最終更新日 2022-08-24 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 An integrative approach combining ion mobility mass spectrometry, X-ray crystallography, and nuclear magnetic resonance spectroscopy to study the conformational dynamics of alpha 1 -antitrypsin upon ligand binding. Protein Sci., 24, 2015
6A8D	Crystal Structure of Chlamydomonas reinhardtii ARF 分子名称: ARF/SAR superfamily small monomeric GTP binding protein, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Kumari, S, Goel, M, Kateriya, S, Sharma, P. 登録日 2018-07-06 公開日 2019-07-10 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Crystal structure of Chlamydomonas reinhardtii Arf To Be Published
4Q01	Second-site screening of K-Ras in the presence of covalently attached first-site ligands 分子名称: GUANOSINE-5'-DIPHOSPHATE, K-Ras, MAGNESIUM ION, ... 著者 Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. 登録日 2014-03-31 公開日 2014-09-10 実験手法 X-RAY DIFFRACTION (1.291 Å) 主引用文献 A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
7BRV	Bovine Pancreatic Trypsin with 4-Bromobenzamidine (Room Temperature) 分子名称: 4-bromanylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ... 著者 Takeda, R, Ito, S, Maeki, M, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. 登録日 2020-03-30 公開日 2020-08-26 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
6KIL	N21Q mutant thioredoxin from Halobacterium salinarum NRC-1 分子名称: Thioredoxin 著者 Arai, S, Shibazaki, C, Shimizu, R, Adachi, M, Ishibashi, M, Tokunaga, H, Tokunaga, M. 登録日 2019-07-19 公開日 2020-01-15 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Catalytic mechanism and evolutional characteristics of thioredoxin from Halobacterium salinarum NRC-1. Acta Crystallogr.,Sect.D, 76, 2020
7BRZ	Bovine Pancreatic Trypsin with 2-Methyltryptamine (Room Temperature) 分子名称: 2-(2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ... 著者 Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. 登録日 2020-03-30 公開日 2020-08-26 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
5XKA	Crystal structure of M.tuberculosis PknI kinase domain 分子名称: Serine/threonine-protein kinase PknI 著者 Yan, Q, Jiang, D, Qian, L, Zhang, Q, Zhang, W, Zhou, W, Mi, K, Guddat, L, Yang, H, Rao, Z. 登録日 2017-05-06 公開日 2018-05-16 実験手法 X-RAY DIFFRACTION (1.599 Å) 主引用文献 Structural Insight into the Activation of PknI Kinase from M. tuberculosis via Dimerization of the Extracellular Sensor Domain. Structure, 25, 2017
7BS7	Bovine Pancreatic Trypsin with aniline (Cryo) 分子名称: ANILINE, CALCIUM ION, Cationic trypsin, ... 著者 Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M. 登録日 2020-03-30 公開日 2020-08-26 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.04 Å) 主引用文献 Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis. Chem Sci, 11, 2020
6F88	Crystal structure of cytochrome P450 CYP260A1 (S276N) bound with progesterone 分子名称: Cytochrome P450 CYP260A1, PROGESTERONE, PROTOPORPHYRIN IX CONTAINING FE 著者 Jozwik, I.K, Thunnissen, A.M.W.H. 登録日 2017-12-12 公開日 2018-03-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone. ACS Chem. Biol., 13, 2018
6A8G	The crystal structure of muPAin-1-IG in complex with muPA-SPD at pH8.5 分子名称: PHOSPHATE ION, Urokinase-type plasminogen activator chain B, muPAin-1-IG 著者 Wang, D, Yang, Y.S, Jiang, L.G, Huang, M.D, Li, J.Y, Andreasen, P.A, Xu, P, Chen, Z. 登録日 2018-07-08 公開日 2019-02-20 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.53 Å) 主引用文献 Suppression of Tumor Growth and Metastases by Targeted Intervention in Urokinase Activity with Cyclic Peptides. J.Med.Chem., 62, 2019
6FA2	Antibody derived (Abd-5) small molecule binding to KRAS. 分子名称: 4-[2-(dimethylamino)ethoxy]-~{N}-[[(3~{R})-5-(6-methoxypyridin-2-yl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide, GTPase KRas, MAGNESIUM ION, ... 著者 Quevedo, C.E, Cruz-Migoni, A, Ehebauer, M.T, Carr, S.B, Phillips, S.V.E, Rabbitts, T.H. 登録日 2017-12-15 公開日 2018-09-05 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment. Nat Commun, 9, 2018
7N4N	BACE-2 in complex with ligand 36 分子名称: 1,2-ETHANEDIOL, Beta-secretase 2, N-{3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-(methanesulfonyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-6-methoxypyrimidine-4-carboxamide, ... 著者 Shaffer, P.L. 登録日 2021-06-04 公開日 2021-10-06 最終更新日 2021-10-27 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate. J.Med.Chem., 64, 2021
7N66	BACE-1 in complex with ligand 12 分子名称: Beta-secretase 1, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Shaffer, P.L. 登録日 2021-06-07 公開日 2021-10-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate. J.Med.Chem., 64, 2021
5X9S	Crystal structure of fully modified H-Ras-GppNHp 分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... 著者 Matsumoto, S, Ke, H, Murashima, Y, Taniguchi-Tamura, H, Miyamoto, R, Yoshikawa, Y, Kumasaka, T, Mizohata, E, Edamatsu, H, Kataoka, T. 登録日 2017-03-09 公開日 2017-08-30 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural basis for intramolecular interaction of post-translationally modified H-RasGTP prepared by protein ligation FEBS Lett., 591, 2017
6BLW	Zinc finger Domain of WT1(+KTS form) with M342R Mutation and 17+1mer Oligonucleotide with Triplet GGT 分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*TP*AP*AP*CP*CP*CP*TP*CP*CP*CP*AP*TP*TP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*AP*AP*TP*GP*GP*GP*AP*GP*GP*GP*TP*T)-3'), ... 著者 Horton, J.R, Cheng, X. 登録日 2017-11-11 公開日 2018-01-03 最終更新日 2018-05-16 実験手法 X-RAY DIFFRACTION (1.835 Å) 主引用文献 Role for first zinc finger of WT1 in DNA sequence specificity: Denys-Drash syndrome-associated WT1 mutant in ZF1 enhances affinity for a subset of WT1 binding sites. Nucleic Acids Res., 46, 2018
7BF9	Mutant M107L of recombinant bovine beta-lactoglobulin in complex with tetracaine 分子名称: Beta-lactoglobulin, Tetracaine 著者 Loch, J.I, Gotkowski, M, Lewinski, K. 登録日 2021-01-01 公開日 2021-01-13 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket. Acta Biochim.Pol., 68, 2021
7BH0	Mutant L39Y of recombinant beta-lactoglobulin in complex with endogenous ligand 分子名称: Beta-lactoglobulin, CHLORIDE ION, LAURIC ACID 著者 Loch, J.I, Siuda, M.K, Lewinski, K. 登録日 2021-01-09 公開日 2021-01-27 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket. Acta Biochim.Pol., 68, 2021
6F0C	Cytochrome P450 TxtC employs substrate conformational switching for sequential aliphatic and aromatic thaxtomin hydroxylation 分子名称: (3~{R},6~{S})-1,4-dimethyl-6-[(4-nitro-1~{H}-indol-3-yl)methyl]-3-oxidanyl-3-(phenylmethyl)piperazine-2,5-dione, Cytochrome P450 monooxygenase, OXYGEN MOLECULE, ... 著者 Fulop, V. 登録日 2017-11-17 公開日 2018-12-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Binding of Distinct Substrate Conformations Enables Hydroxylation of Remote Sites in Thaxtomin D by Cytochrome P450 TxtC. J.Am.Chem.Soc., 141, 2019
4QAO	Lysine-ligated cytochrome c with F82H 分子名称: Cytochrome c iso-1, PROTOPORPHYRIN IX CONTAINING FE 著者 Amacher, J.F, Zhu, M.Q, Zhong, F, Pletneva, E.K, Madden, D.R. 登録日 2014-05-05 公開日 2015-08-05 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.103 Å) 主引用文献 Understanding PDZ Affinity and Selectivity: All Residues Considered Thesis, 2014
7NQW	Discovery of ASTX029, a clinical candidate which modulates the phosphorylation and catalytic activity of ERK1/2 分子名称: 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{H}-isoindol-1-one, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... 著者 O'Reilly, M. 登録日 2021-03-02 公開日 2021-10-06 実験手法 X-RAY DIFFRACTION (1.775 Å) 主引用文献 Discovery of ASTX029, A Clinical Candidate Which Modulates the Phosphorylation and Catalytic Activity of ERK1/2. J.Med.Chem., 64, 2021
6JUX	Crystal structure of human ALK2 kinase domain with R206H mutation in complex with RK-71807 分子名称: 4-(1-ethyl-3-pyridin-3-yl-pyrazol-4-yl)-~{N}-(4-piperazin-1-ylphenyl)pyrimidin-2-amine, Activin receptor type-1, SULFATE ION 著者 Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. 登録日 2019-04-15 公開日 2020-04-15 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural Basis of Activin Receptor-Like Kinase 2 (R206H) Inhibition by Bis-heteroaryl Pyrazole-Based Inhibitors for the Treatment of Fibrodysplasia Ossificans Progressiva Identified by the Integration of Ligand-Based and Structure-Based Drug Design Approaches. Acs Omega, 5, 2020

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