PDB: 218853 件ウェブページステータス検索Chemie searchBIRD

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7TX0	Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 9 (P43 crystal form) 分子名称: Non-structural protein 3, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE 著者 Correy, G.J, Fraser, J.S. 登録日 2022-02-07 公開日 2022-02-23 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (0.84 Å) 主引用文献 Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 9 (P43 crystal form) To Be Published
1P9G	Crystal structure of a novel antifungal protein distinct with five disulfide bridges from Ecommia ulmoides Oliver at atomic resolution 分子名称: ACETATE ION, EAFP 2 著者 Xiang, Y, Huang, R.H, Liu, X.Z, Wang, D.C. 登録日 2003-05-12 公開日 2004-06-01 最終更新日 2019-12-25 実験手法 X-RAY DIFFRACTION (0.84 Å) 主引用文献 Crystal structure of a novel antifungal protein distinct with five disulfide bridges from Eucommia ulmoides Oliver at an atomic resolution. J.Struct.Biol., 148, 2004
6EIO	Crystal structure of an ice binding protein from an Antarctic Biological Consortium 分子名称: Antifreeze protein, GLYCEROL, SULFATE ION 著者 Nardini, M, Mangiagalli, M, Nardone, V, Bar Dolev, M, Vena, V.F, Sarusi, G, Braslavsky, I, Lotti, M. 登録日 2017-09-19 公開日 2018-03-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (0.84 Å) 主引用文献 Structure of a bacterial ice binding protein with two faces of interaction with ice. FEBS J., 285, 2018
2O7A	T4 lysozyme C-terminal fragment 分子名称: ACETATE ION, CHLORIDE ION, Lysozyme 著者 Echols, N, Kwon, E, Marqusee, S.M, Alber, T. 登録日 2006-12-10 公開日 2007-04-10 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (0.84 Å) 主引用文献 Exploring subdomain cooperativity in T4 lysozyme I: Structural and energetic studies of a circular permutant and protein fragment. Protein Sci., 16, 2007
5MAS	Peptaibol Bergofungin A 分子名称: Bergofungin A 著者 Gessmann, R, Petratos, K. 登録日 2016-11-04 公開日 2017-02-22 最終更新日 2017-03-01 実験手法 X-RAY DIFFRACTION (0.84 Å) 主引用文献 A natural, single-residue substitution yields a less active peptaibiotic: the structure of bergofungin A at atomic resolution. Acta Crystallogr F Struct Biol Commun, 73, 2017
4UA9	CTX-M-14 Class A Beta-Lactamase in Complex with a Boronic Acid Acylation Transition State Analog at Sub-Angstrom Resolution 分子名称: Beta-lactamase CTX-M-14, PHOSPHATE ION, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE 著者 Nichols, D.A, Chen, Y. 登録日 2014-08-08 公開日 2015-06-24 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (0.84 Å) 主引用文献 Ligand-Induced Proton Transfer and Low-Barrier Hydrogen Bond Revealed by X-ray Crystallography. J.Am.Chem.Soc., 137, 2015
2HS1	Ultra-high resolution X-ray crystal structure of HIV-1 protease V32I mutant with TMC114 (darunavir) inhibitor 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Weber, I.T, Kovalevsky, A.Y. 登録日 2006-07-20 公開日 2006-10-03 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (0.84 Å) 主引用文献 Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114. J.Mol.Biol., 363, 2006
2YKZ	RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS AT 0.84 A RESOLUTION: RESTRAINED REFINEMENT 分子名称: CYTOCHROME C', HEME C, SULFATE ION 著者 Antonyuk, S.V, Eady, R.R, Hasnain, S.S. 登録日 2011-05-30 公開日 2011-10-05 最終更新日 2020-03-11 実験手法 X-RAY DIFFRACTION (0.84 Å) 主引用文献 Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins. Proc.Natl.Acad.Sci.USA, 108, 2011
1XVO	Trypsin from Fusarium oxysporum at pH 6 分子名称: SULFATE ION, trypsin 著者 Schmidt, A, Lamzin, V.S. 登録日 2004-10-28 公開日 2005-07-26 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (0.84 Å) 主引用文献 Extraction of functional motion in trypsin crystal structures. Acta Crystallogr.,Sect.D, 61, 2005
4EIC	Crystal structure of reduced cytochrome c6 from Synechococcus sp. PCC 7002 at ultra-high resolution 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c6, HEME C 著者 Krzywda, S, Bialek, W, Jaskolski, M, Szczepaniak, A. 登録日 2012-04-05 公開日 2013-04-10 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (0.84 Å) 主引用文献 Cytochrome c6 and c6C from Synechococcus sp. PCC 7002 - structure and function. To be Published
3ZQV	RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS AT 0.84 A RESOLUTION: NON-RESTRAINED REFINEMENT 分子名称: CYTOCHROME C', HEME C, SULFATE ION 著者 Antonyuk, S.V, Eady, R.R, Hasnain, S.S. 登録日 2011-06-12 公開日 2011-10-05 最終更新日 2020-03-11 実験手法 X-RAY DIFFRACTION (0.84 Å) 主引用文献 Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins. Proc.Natl.Acad.Sci.USA, 108, 2011
4LAU	Crystal structure of human AR complexed with NADP+ and {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid 分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid 著者 Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. 登録日 2013-06-20 公開日 2014-04-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (0.843 Å) 主引用文献 Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
4PSS	Multiconformer model for Escherichia coli dihydrofolate reductase at 100K 分子名称: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ... 著者 Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S. 登録日 2014-03-07 公開日 2014-06-04 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (0.849 Å) 主引用文献 Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR. Structure, 22, 2014
5JQF	Crystal structure of the lasso peptide Sphingopyxin I (SpI) 分子名称: Sphingopyxin I 著者 Fage, C.D, Hegemann, J.D, Harms, K, Bange, G, Marahiel, M.A. 登録日 2016-05-04 公開日 2016-09-14 最終更新日 2021-06-16 実験手法 X-RAY DIFFRACTION (0.85 Å) 主引用文献 Structure and Mechanism of the Sphingopyxin I Lasso Peptide Isopeptidase. Angew. Chem. Int. Ed. Engl., 55, 2016
2F01	Epi-biotin complex with core streptavidin 分子名称: BIOTIN, EPI-BIOTIN, GLYCEROL, ... 著者 Le Trong, I, Aubert, D.G, Thomas, N.R, Stenkamp, R.E. 登録日 2005-11-10 公開日 2005-11-29 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (0.85 Å) 主引用文献 The high-resolution structure of (+)-epi-biotin bound to streptavidin. Acta Crystallogr.,Sect.D, 62, 2006
7AOT	The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone 分子名称: (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5 著者 Voll, A.M, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F. 登録日 2020-10-15 公開日 2021-04-21 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (0.85 Å) 主引用文献 Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity. Angew.Chem.Int.Ed.Engl., 60, 2021
5XVT	Crystal Structure of Transketolase in complex with hydroxylated TPP from Pichia Stipitis, crystal 2 分子名称: 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... 著者 Li, T.L, Hsu, N.S, Wang, Y.L. 登録日 2017-06-28 公開日 2018-04-25 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (0.85 Å) 主引用文献 The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
4LAZ	Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid 分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(4-iodobenzyl)carbamoyl]phenoxy}acetic acid 著者 Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. 登録日 2013-06-20 公開日 2014-04-30 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (0.85 Å) 主引用文献 Modulation of aldose reductase inhibition by halogen bond tuning. Acs Chem.Biol., 8, 2013
2FMA	Structure of the Alzheimer's Amyloid Precursor Protein (APP) Copper Binding Domain in 'small unit cell' form, atomic resolution 分子名称: Amyloid beta A4 protein precursor, GLYCEROL 著者 Kong, G.K.-W. 登録日 2006-01-08 公開日 2007-01-16 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (0.85 Å) 主引用文献 Structure of Alzheimer's disease amyloid precursor protein copper-binding domain at atomic resolution. Acta Crystallogr.,Sect.F, 63, 2007
6UCX	S2 symmetric peptide design number 1, Wednesday 分子名称: S2-1, Wednesday, trifluoroacetic acid 著者 Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. 登録日 2019-09-18 公開日 2020-09-23 最終更新日 2021-07-28 実験手法 X-RAY DIFFRACTION (0.85 Å) 主引用文献 Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
6UN0	Crystal structure of photoactive yellow protein (PYP); F96(4-IF) construct with 3-Br-p-coumaric acid chromophore 分子名称: (2E)-3-(3-bromo-4-hydroxyphenyl)prop-2-enoic 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 (0.85 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
7WCI	The 0.85 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with two molecules of pelargonic acid 分子名称: Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... 著者 Sugiyama, S, Kakinouchi, K, Takahashi, J, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. 登録日 2021-12-20 公開日 2022-12-21 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (0.85 Å) 主引用文献 The 0.85 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with two molecules of pelargonic acid To Be Published
7BBX	Neisseria gonorrhoeae transaldolase, variant K8A 分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Transaldolase 著者 Rabe von Pappenheim, F, Wensien, M, Funk, L.M, Tittmann, K. 登録日 2020-12-18 公開日 2021-03-24 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (0.85 Å) 主引用文献 A lysine-cysteine redox switch with an NOS bridge regulates enzyme function. Nature, 593, 2021
4XXG	Structure of protonated Cholesterol Oxidase from Streptomyces SA-COO 分子名称: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE 著者 Golden, E, Vrielink, A. 登録日 2015-01-30 公開日 2015-12-30 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (0.85 Å) 主引用文献 Production and characterization of recombinant perdeuterated cholesterol oxidase. Anal.Biochem., 485, 2015
5YOK	Structure of HIV-1 Protease in Complex with Inhibitor KNI-1657 分子名称: (4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-yl)carbonylamino]-2-[(3R)-oxolan-3 -yl]ethanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide, GLYCEROL, HIV-1 PROTEASE 著者 Adachi, M, Hidaka, K, Kuroki, R, Kiso, Y. 登録日 2017-10-29 公開日 2018-07-18 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (0.85 Å) 主引用文献 Identification of Highly Potent Human Immunodeficiency Virus Type-1 Protease Inhibitors against Lopinavir and Darunavir Resistant Viruses from Allophenylnorstatine-Based Peptidomimetics with P2 Tetrahydrofuranylglycine. J. Med. Chem., 61, 2018

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