PDB: 221051 件ウェブページステータス検索Chemie searchBIRD

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4RJ1	Structural variations and solvent structure of UGGGGU quadruplexes stabilized by Sr2+ ions 分子名称: CALCIUM ION, RNA (5'-R(*UP*GP*GP*GP*GP*U)-3'), SODIUM ION, ... 著者 Fyfe, A.C, Dunten, P.W, Scott, W.G. 登録日 2014-10-08 公開日 2014-11-12 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (0.92 Å) 主引用文献 Structural Variations and Solvent Structure of r(UGGGGU) Quadruplexes Stabilized by Sr(2+) Ions. J.Mol.Biol., 427, 2015
4AR6	X-ray crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin at 295 K (in quartz capillary) to 0.92 Angstroms resolution. 分子名称: FE (III) ION, RUBREDOXIN 著者 Cuypers, M.G, Mason, S.A, Blakeley, M.P, Mitchell, E.P, Haertlein, M, Forsyth, V.T. 登録日 2012-04-20 公開日 2012-12-19 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (0.92 Å) 主引用文献 Near-Atomic Resolution Neutron Crystallography on Perdeuterated Pyrococcus Furiosus Rubredoxin: Implication of Hydronium Ions and Protonation Equilibria and Hydronium Ions in Redox Changes Angew.Chem.Int.Ed.Engl., 52, 2013
6TJ8	Escherichia coli transketolase in complex with cofactor analog 2'-methoxythiamine diphosphate 分子名称: 1,2-ETHANEDIOL, 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, ... 著者 Rabe von Pappenheim, F, Tittmann, K. 登録日 2019-11-25 公開日 2020-07-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.921 Å) 主引用文献 Structural basis for antibiotic action of the B 1 antivitamin 2'-methoxy-thiamine. Nat.Chem.Biol., 16, 2020
6TE2	Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor 17 分子名称: 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid, Casein kinase II subunit alpha' 著者 Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. 登録日 2019-11-11 公開日 2020-07-08 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (0.922 Å) 主引用文献 Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2. J.Med.Chem., 63, 2020
6UMY	Crystal structure of photoactive yellow protein (PYP); F96(4-IF) construct 分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein 著者 Lin, C.-Y, Romei, M.G, Boxer, S.G. 登録日 2019-10-10 公開日 2020-07-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (0.923 Å) 主引用文献 Structural and spectroscopic characterization of photoactive yellow protein and photoswitchable fluorescent protein constructs containing heavy atoms. J Photochem Photobiol A Chem, 401, 2020
7MBO	FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian 著者 Sheriff, S. 登録日 2021-04-01 公開日 2021-09-15 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (0.924 Å) 主引用文献 Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy. J.Med.Chem., 65, 2022
3LZT	REFINEMENT OF TRICLINIC LYSOZYME AT ATOMIC RESOLUTION 分子名称: ACETATE ION, LYSOZYME, NITRATE ION 著者 Walsh, M.A, Schneider, T, Sieker, L.C, Dauter, Z, Lamzin, V, Wilson, K.S. 登録日 1997-03-23 公開日 1998-03-25 最終更新日 2023-08-09 実験手法 X-RAY DIFFRACTION (0.925 Å) 主引用文献 Refinement of triclinic hen egg-white lysozyme at atomic resolution. Acta Crystallogr.,Sect.D, 54, 1998
6ZSY	Crystal structure of the Grindelwald extracellular domain complex 分子名称: Protein grindelwald 著者 Palmerini, V, Cecatiello, V, Pasqualato, S, Mapelli, M. 登録日 2020-07-17 公開日 2021-03-31 最終更新日 2021-10-13 実験手法 X-RAY DIFFRACTION (0.926 Å) 主引用文献 Drosophila TNFRs Grindelwald and Wengen bind Eiger with different affinities and promote distinct cellular functions. Nat Commun, 12, 2021
6ROB	Human Carbonic Anhydrase II in complex with 4-cyanobenzenesulfonamide 分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-cyanobenzenesulfonamide, Carbonic anhydrase 2, ... 著者 Gloeckner, S, Heine, A, Klebe, G. 登録日 2019-05-10 公開日 2020-04-15 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.929 Å) 主引用文献 The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
8UVZ	Bacillus subtilis DHFR bound to NADP+ and folate 分子名称: Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Smith, N, Horswill, A.R, Wilson, M.A. 登録日 2023-11-05 公開日 2023-11-15 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Bacillus subtilis DHFR bound to NADP+ and folate To Be Published
5MNH	Cationic trypsin in complex with benzamidine (deuterated sample at 295 K) 分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... 著者 Schiebel, J, Heine, A, Klebe, G. 登録日 2016-12-13 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
5MOQ	Joint X-ray/neutron structure of cationic trypsin in complex with benzamidine 分子名称: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... 著者 Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. 登録日 2016-12-14 公開日 2018-02-28 最終更新日 2024-05-01 実験手法 NEUTRON DIFFRACTION (0.93 Å), X-RAY DIFFRACTION 主引用文献 Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes. Nat Commun, 9, 2018
8X3H	Crystal structure of iron-bound recombinant ovotransferrin N-lobe at 0.93 angstrom resolution 分子名称: CARBONATE ION, FE (III) ION, GLYCEROL, ... 著者 Toyoda, M, Mikami, B, Mizutani, K. 登録日 2023-11-13 公開日 2023-12-13 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Crystal structure of iron-bound ovotransferrin N-lobe at atomic resolution To Be Published
5X9M	Structure of hyper-sweet thaumatin (D21N) 分子名称: GLYCEROL, L(+)-TARTARIC ACID, Thaumatin I 著者 Masuda, T, Okubo, K, Sugahara, M, Suzuki, M, Mikami, B. 登録日 2017-03-08 公開日 2018-03-14 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Subatomic structure of hyper-sweet thaumatin D21N mutant reveals the importance of flexible conformations for enhanced sweetness. Biochimie, 157, 2019
8A4N	Structure of Human Aldose Reductase Mutant L300G with a Citrate Molecule Bound in the Anion Binding Pocket 分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Hubert, L.-S, Heine, A, Klebe, G. 登録日 2022-06-13 公開日 2023-07-05 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Structure of Human Aldose Reductase Mutant L300G with a Citrate Molecule Bound in the Anion Binding Pocket To Be Published
3U7C	crystal structure of the V143I mutant of human carbonic anhydrase II 分子名称: BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ... 著者 West, D.M, Kim, C.U, Robbins, A.H, Mckenna, R. 登録日 2011-10-13 公開日 2013-02-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 crystal structure of the V143I mutant of human carbonic anhydrase II To be Published
7VDN	High resolution crystal structure of Sperm Whale Myoglobin in the carbonmonoxy form 分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Shibayama, N, Sato-Tomita, A, Ishimoto, N, Park, S.Y. 登録日 2021-09-07 公開日 2022-09-14 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 X-ray fluorescence holography of biological metal sites: Application to myoglobin. Biochem.Biophys.Res.Commun., 635, 2022
7G1R	Crystal Structure of human FABP4 in complex with 2-[(3-ethoxycarbonylthiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid 分子名称: 2-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ... 著者 Ehler, A, Benz, J, Obst, U, Ceccarelli-Simona, M, Rudolph, M.G. 登録日 2023-04-27 公開日 2023-06-14 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Crystal Structure of a human FABP4 complex To be published
6RI6	Single crystal serial study of the inhibition of laccases from Steccherinum murashkinskyi by fluoride anions at sub-atomic resolution. Second structure of the series with 400 KGy dose. 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, FLUORIDE ION, ... 著者 Polyakov, K.M, Gavryushov, S, Fedorova, T.V, Glazunova, O.A, Popov, A.N. 登録日 2019-04-23 公開日 2019-05-01 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 The subatomic resolution study of laccase inhibition by chloride and fluoride anions using single-crystal serial crystallography: insights into the enzymatic reaction mechanism. Acta Crystallogr D Struct Biol, 75, 2019
4TKH	The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with myristic acid 分子名称: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... 著者 Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M. 登録日 2014-05-26 公開日 2015-01-28 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein Angew.Chem.Int.Ed.Engl., 54, 2015
1GDQ	FUSARIUM OXYSPORUM TRYPSIN AT ATOMIC RESOLUTION 分子名称: GLY-ALA-ARG, GLYCEROL, SULFATE ION, ... 著者 Rypniewski, W.R, Oestergaard, P, Noerregaard-Madsen, M, Dauter, M, Wilson, K.S. 登録日 2000-09-28 公開日 2001-02-07 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Fusarium oxysporum trypsin at atomic resolution at 100 and 283 K: a study of ligand binding. Acta Crystallogr.,Sect.D, 57, 2001
5QU8	Crystal Structure of symmetric swapped human Nck SH3.1 domain, 0.93A, orthorhombic form IV 分子名称: Cytoplasmic protein NCK1, SODIUM ION 著者 Rudolph, M.G. 登録日 2019-12-13 公開日 2020-02-12 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Small molecule AX-024 reduces T cell proliferation independently of CD3ε/Nck1 interaction, which is governed by a domain swap in the Nck1-SH3.1 domain. J.Biol.Chem., 295, 2020
7TML	Porous framework formed by assembly of a bipyridyl-conjugated helical peptide 分子名称: 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ... 著者 Nguyen, A.I. 登録日 2022-01-19 公開日 2022-04-20 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework. J.Am.Chem.Soc., 144, 2022
6SYW	human Aldose Reductase in complex with SAR25 分子名称: 2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Sandner, A, Heine, A, Klebe, G. 登録日 2019-10-01 公開日 2020-10-14 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 human Aldose Reductase in complex with SAR25 To Be Published
1B0Y	MUTANT H42Q OF HIPIP FROM CHROMATIUM VINOSUM AT 0.93A 分子名称: IRON/SULFUR CLUSTER, PROTEIN (HIPIP) 著者 Sheldrick, G.M. 登録日 1998-11-15 公開日 1998-12-16 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Ab initio solution and refinement of two high-potential iron protein structures at atomic resolution. Acta Crystallogr.,Sect.D, 55, 1999

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