PDB: 35756 件ウェブページステータス検索Chemie searchBIRD

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7XN9	Crystal structure of SSTR2 and L-054,522 complex 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Somatostatin receptor type 2,Endo-1,4-beta-xylanase, tert-butyl (2S)-6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate 著者 Zhao, W, Han, S, Qiu, N, Feng, W, Lu, M, Yang, D, Wang, M.-W, Wu, B, Zhao, Q. 登録日 2022-04-28 公開日 2022-08-03 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural insights into ligand recognition and selectivity of somatostatin receptors. Cell Res., 32, 2022
2WBG	Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-oxa-(+)-castanospermine 分子名称: (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol, ACETATE ION, BETA-GLUCOSIDASE A 著者 Aguilar, M, Gloster, T.M, Turkenburg, J.P, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Garcia Fernandez, J.M. 登録日 2009-02-27 公開日 2009-04-14 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring. Org.Biomol.Chem., 7, 2009
4KPB	Crystal structure of cytochrome P450 BM-3 R47E mutant 分子名称: Cytochrome P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE 著者 Sadre-Bazzaz, K, Catalano, J, McDermott, A.E, Tong, L. 登録日 2013-05-13 公開日 2013-07-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural Evidence: A Single Charged Residue Affects Substrate Binding in Cytochrome P450 BM-3. Biochemistry, 52, 2013
3HU9	Nitrosobenzene in complex with T4 lysozyme L99A/M102Q 分子名称: Lysozyme, NITROSOBENZENE, PHOSPHATE ION 著者 Boyce, S.E, Mobley, D.L, Rocklin, G.J, Graves, A.P, Dill, K.A, Shoichet, B.K. 登録日 2009-06-13 公開日 2009-11-03 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Predicting ligand binding affinity with alchemical free energy methods in a polar model binding site. J.Mol.Biol., 394, 2009
3HYC	Crystal structure of E. coli phosphatase YrbI, with Mg, tetragonal form 分子名称: 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CHLORIDE ION, MAGNESIUM ION 著者 Tsodikov, O.V, Biswas, T. 登録日 2009-06-22 公開日 2009-09-01 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (3.06 Å) 主引用文献 The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE. J.Biol.Chem., 284, 2009
5WW7	Crystal structure of the second DNA-Binding protein under starvation from Mycobacterium smegmatis soaked with iron in the ratio of 360 iron atoms per dodecamer 分子名称: CHLORIDE ION, FE (II) ION, FE (III) ION, ... 著者 Williams, S.M, Chatterji, D. 登録日 2016-12-31 公開日 2017-08-09 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Flexible aspartates propel iron to the ferroxidation sites along pathways stabilized by a conserved arginine in Dps proteins from Mycobacterium smegmatis Metallomics, 9, 2017
5WMS	Phosphotriesterase variant S7 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ... 著者 Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N. 登録日 2017-07-31 公開日 2019-01-23 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Phosphotriesterase variant S7 To Be Published
2W67	BtGH84 in complex with FMA34 分子名称: CALCIUM ION, GLYCEROL, N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide, ... 著者 He, Y, Davies, G.J. 登録日 2008-12-17 公開日 2009-04-14 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion. J.Am.Chem.Soc., 131, 2009
4K3A	The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase 分子名称: SULFATE ION, glycoside hydrolase family 81 endo-beta-1,3-glucanase 著者 Jiang, Z.Q, Zhou, P, Chen, Z.Z, Yan, Q.J, Yang, S.Q, Hilgenfeld, R. 登録日 2013-04-10 公開日 2013-10-02 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The structure of a glycoside hydrolase family 81 endo-[beta]-1,3-glucanase Acta Crystallogr.,Sect.D, 69, 2013
2WBK	Structure of the Michaelis complex of beta-mannosidase, Man2A, provides insight into the conformational itinerary of mannoside hydrolysis 分子名称: 1,2-ETHANEDIOL, 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannopyranoside, BETA-MANNOSIDASE, ... 著者 Offen, W.A, Zechel, D.L, Withers, S.G, Gilbert, H.J, Davies, G.J. 登録日 2009-03-02 公開日 2009-03-17 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure of the Michaelis Complex of Beta-Mannosidase, Man2A, Provides Insight Into the Conformational Itinerary of Mannoside Hydrolysis. Cell(Cambridge,Mass.), 18, 2009
2X42	Structure of beta-glucosidase 3B from Thermotoga neapolitana in complex with alpha-D-glucose 分子名称: BETA-GLUCOSIDASE, BROMIDE ION, alpha-D-glucopyranose 著者 Pozzo, T, Karlsson, E.N, Logan, D.T. 登録日 2010-01-28 公開日 2010-02-09 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.099 Å) 主引用文献 Structural and Functional Analysis of Beta-Glucosidase 3B from Thermotoga Neapolitana: A Thermostable 3-Domain Representative of Glycoside Hydrolase Family 3 J.Mol.Biol., 397, 2010
4KKY	Crystal structure of N-(1-Pyrene)acetamide labeled P450cam in substrate bound form. 分子名称: CAMPHOR, Camphor 5-monooxygenase, N-(pyren-1-yl)acetamide, ... 著者 Zhang, M, Goodin, D.B. 登録日 2013-05-06 公開日 2014-05-21 最終更新日 2017-11-15 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 To be determined. To be Published
6F78	Potent and selective Aldo-Keto Reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: Application of a Bioisosteric Scaffold Hopping Approach to Flufenamic acid 分子名称: 4-[[3,5-bis(trifluoromethyl)phenyl]amino]-1,2-benzoxazol-3-one, Aldo-keto reductase family 1 member C3, CHLORIDE ION, ... 著者 Goyal, P, Wahlgren, W.Y, Friemann, R. 登録日 2017-12-07 公開日 2018-04-04 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Potent and selective aldo-keto reductase 1C3 (AKR1C3) inhibitors based on the benzoisoxazole moiety: application of a bioisosteric scaffold hopping approach to flufenamic acid. Eur J Med Chem, 150, 2018
5WM0	Crystal structure of apo wild type peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide (peptide not observed) 分子名称: Peptidyl-glycine alpha-amidating monooxygenase 著者 Maheshwari, S, Rudzka, K, Gabelli, S.B, Amzel, L.M. 登録日 2017-07-28 公開日 2018-07-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Effects of copper occupancy on the conformational landscape of peptidylglycine alpha-hydroxylating monooxygenase. Commun Biol, 1, 2018
6FFH	Crystal Structure of mGluR5 in complex with Fenobam at 2.65 A 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-(3-chlorophenyl)-3-(3-methyl-5-oxidanylidene-4~{H}-imidazol-2-yl)urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... 著者 Christopher, J.A, Orgovan, Z, Congreve, M, Dore, A.S, Errey, J.C, Marshall, F.H, Mason, J.S, Okrasa, K, Rucktooa, P, Serrano-Vega, M.J, Ferenczy, G.G, Keseru, G.M. 登録日 2018-01-08 公開日 2018-03-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Structure-Based Optimization Strategies for G Protein-Coupled Receptor (GPCR) Allosteric Modulators: A Case Study from Analyses of New Metabotropic Glutamate Receptor 5 (mGlu5) X-ray Structures. J.Med.Chem., 62, 2019
6CDN	Crystal structure of cysteine-bound ferrous form of the crosslinked Cl-Tyr157 human cysteine dioxygenase 分子名称: CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... 著者 Liu, A, Li, J, Shin, I. 登録日 2018-02-08 公開日 2018-07-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.055 Å) 主引用文献 Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase. Nat. Chem. Biol., 14, 2018
3I62	Structure of Mss116p bound to ssRNA and ADP-Aluminum Fluoride 分子名称: 5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP*U)-3', ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase MSS116, ... 著者 Del Campo, M, Lambowitz, A.M. 登録日 2009-07-06 公開日 2009-09-08 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Structure of the Yeast DEAD box protein Mss116p reveals two wedges that crimp RNA Mol.Cell, 35, 2009
6F8A	Crystal structure of cytochrome P450 CYP260A1 (S276I) bound with histidine 分子名称: Cytochrome P450 CYP260A1, HISTIDINE, 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 (1.35 Å) 主引用文献 Structure-Based Engineering of Steroidogenic CYP260A1 for Stereo- and Regioselective Hydroxylation of Progesterone. ACS Chem. Biol., 13, 2018
3FWG	Ferric camphor bound Cytochrome P450cam, Arg365Leu, Glu366Gln, monoclinic crystal form 分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Camphor 5-monooxygenase, ... 著者 Schlichting, I, Von Koenig, K, Aldag, C, Hilvert, D. 登録日 2009-01-18 公開日 2009-03-03 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Probing the role of the proximal heme ligand in cytochrome P450cam by recombinant incorporation of selenocysteine. Proc.Natl.Acad.Sci.USA, 106, 2009
6CA3	THE CRYSTAL STRUCTURE OF THE W169Y MUTANT OF ALPHA-GLUCOSIDASE (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with miglitol 分子名称: (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol, GLYCEROL, Glycosyl hydrolase, ... 著者 Tan, K, Tesar, C, Jedrzejczak, R, Joachimiak, A, Midwest Center for Macromolecular Research (MCMR) 登録日 2018-01-29 公開日 2018-02-28 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.743 Å) 主引用文献 THE CRYSTAL STRUCTURE OF THE W169Y MUTANT OF ALPHA-GLUCOSIDASE (GH 31) FROM RUMINOCOCCUS OBEUM ATCC 29174 in complex with miglitol To Be Published
2WIJ	NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA5 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... 著者 Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. 登録日 2009-05-12 公開日 2009-05-19 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun. Biochem. J., 421, 2009
4K9D	X-ray crystal structure of a Glyceraldehyde 3-phosphate dehydrogenase from Brugia malayi bound to the co-factor NAD 分子名称: 1,2-ETHANEDIOL, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2013-04-19 公開日 2013-05-01 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 X-ray crystal structure of a Glyceraldehyde 3-phosphate dehydrogenase from Brugia malayi bound to the co-factor NAD TO BE PUBLISHED
6FAR	Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-mannoimidazole 分子名称: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, Glycosyl hydrolase family 71, alpha-D-mannopyranose 著者 Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J. 登録日 2017-12-16 公開日 2018-03-21 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases. Chemistry, 24, 2018
7RAD	Crystal Structure Analysis of ALDH1B1 分子名称: 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine, Aldehyde dehydrogenase X, ... 著者 Fernandez, D, Chen, J.K. 登録日 2021-07-01 公開日 2022-06-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Inhibitors targeted to aldehyde dehydrogenase Nat.Chem.Biol., 2022
6BOW	Human APE1 substrate complex with an T/T mismatch adjacent the THF 分子名称: 21-mer DNA, DNA-(apurinic or apyrimidinic site) lyase 著者 Freudenthal, B.D, Whitaker, A.M, Fairlamb, M.S. 登録日 2017-11-20 公開日 2018-08-15 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Apurinic/apyrimidinic (AP) endonuclease 1 processing of AP sites with 5' mismatches. Acta Crystallogr D Struct Biol, 74, 2018

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