PDB: 223790 件ウェブページステータス検索Chemie searchBIRD

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3WGX	Crystal structure of ERp46 Trx2 in a complex with Prx4 C-term 分子名称: GLYCEROL, Peroxiredoxin-4, Thioredoxin domain-containing protein 5 著者 Inaba, K, Suzuki, M, Kojima, R. 登録日 2013-08-13 公開日 2014-06-25 実験手法 X-RAY DIFFRACTION (0.92 Å) 主引用文献 Radically different thioredoxin domain arrangement of ERp46, an efficient disulfide bond introducer of the mammalian PDI family Structure, 22, 2014
2FVY	High Resolution Glucose Bound Crystal Structure of GGBP 分子名称: ACETATE ION, CALCIUM ION, CARBON DIOXIDE, ... 著者 Borrok, M.J, Kiessling, L.L, Forest, K.T. 登録日 2006-01-31 公開日 2007-02-06 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (0.92 Å) 主引用文献 Conformational changes of glucose/galactose-binding protein illuminated by open, unliganded, and ultra-high-resolution ligand-bound structures. Protein Sci., 16, 2007
2G6F	Crystal Structure of the SH3 Domain of betaPIX in Complex with a High Affinity Peptide from PAK2 分子名称: COBALT HEXAMMINE(III), Rho guanine nucleotide exchange factor 7 著者 Hoelz, A. 登録日 2006-02-24 公開日 2006-04-11 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (0.92 Å) 主引用文献 Crystal Structure of the SH3 Domain of betaPIX in Complex with a High Affinity Peptide from PAK2 J.Mol.Biol., 358, 2006
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
3QL9	Monoclinic complex structure of ATRX ADD bound to histone H3K9me3 peptide 分子名称: Transcriptional regulator ATRX, ZINC ION, peptide of Histone H3.3 著者 Xiang, B, Li, H. 登録日 2011-02-02 公開日 2011-06-15 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 ATRX ADD domain links an atypical histone methylation recognition mechanism to human mental-retardation syndrome Nat.Struct.Mol.Biol., 18, 2011
6KM0	Human Carbonic Anhydrase II V143I variant 07 atm CO2 分子名称: BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ... 著者 Kim, C.U, Kim, J.K. 登録日 2019-07-30 公開日 2020-08-05 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase. Iucrj, 7, 2020
3M5Q	0.93 A Structure of Manganese-Bound Manganese Peroxidase 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... 著者 Sundaramoorthy, M, Gold, M.H, Poulos, T.L. 登録日 2010-03-12 公開日 2010-04-14 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Ultrahigh (0.93A) resolution structure of manganese peroxidase from Phanerochaete chrysosporium: implications for the catalytic mechanism. J.Inorg.Biochem., 104, 2010
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
8PB6	PsiM in complex with SAH and baeocystin 分子名称: Baeocystin, CHLORIDE ION, Psilocybin synthase, ... 著者 Werten, S, Hudspeth, J, Rupp, B. 登録日 2023-06-08 公開日 2024-04-03 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Methyl transfer in psilocybin biosynthesis. Nat Commun, 15, 2024
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
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
7KQW	Crystal structure of SARS-CoV-2 NSP3 macrodomain (C2 crystal form, methylated) 分子名称: Non-structural protein 3 著者 Correy, G.J, Young, I.D, Thompson, M.C, Fraser, J.S. 登録日 2020-11-17 公開日 2020-12-09 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking. Sci Adv, 7, 2021
1OK0	Crystal Structure of Tendamistat 分子名称: ALPHA-AMYLASE INHIBITOR HOE-467A, CHLORIDE ION, GLYCEROL 著者 Koenig, V, Vertesy, L, Schneider, T.R. 登録日 2003-07-16 公開日 2004-01-15 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Crystal Structure of the Alpha-Amylase Inhibitor Tendamistat at 0.93 A Acta Crystallogr.,Sect.D, 59, 2003
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
8UW0	Escherichia coli DHFR bound to NADP+ and folate, 17.2 MGy dose 分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... 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 X-ray-driven chemistry and conformational heterogeneity in atomic resolution crystal structures of bacterial dihydrofolate reductases To Be Published
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
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
3FX5	Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by High Resolution X-ray Crystallography 分子名称: (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, GLYCEROL, protease 著者 Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R. 登録日 2009-01-20 公開日 2009-03-24 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (0.93 Å) 主引用文献 Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography. Proc.Natl.Acad.Sci.USA, 2009

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