PDB: 37044 件ウェブページステータス検索Chemie searchBIRD

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2ZLW	Horse methemoglobin high salt, pH 7.0 (75% relative humidity) 分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE 著者 Kaushal, P.S, Sankaranarayanan, R, Vijayan, M. 登録日 2008-04-10 公開日 2008-06-24 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Water-mediated variability in the structure of relaxed-state haemoglobin Acta Crystallogr.,Sect.F, 64, 2008
4EJK	HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment 1F1-N in the outside/top of flap 分子名称: INDOLYLPROPIONIC ACID, Protease, pepstatin 著者 Tiefenbrunn, T, Stout, C.D. 登録日 2012-04-06 公開日 2013-05-01 最終更新日 2018-03-07 実験手法 X-RAY DIFFRACTION (1.794 Å) 主引用文献 Small molecule regulation of protein conformation by binding in the Flap of HIV protease. Acs Chem.Biol., 8, 2013
4BY0	Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'- difluoro-(1,1'-biphenyl)-4-carboxamide 分子名称: (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-3,3'-difluoro-(1,1'-biphenyl)-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE, STEROL 14-ALPHA DEMETHYLASE 著者 Choi, J.Y, Calvet, C.M, Vierira, D.F, Gunatilleke, S.S, Cameron, M.D, McKerrow, J.H, Podust, L.M, Roush, W.R. 登録日 2013-07-16 公開日 2014-01-22 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 R-Configuration of 4-Aminopyridyl-Based Inhibitors of Cyp51 Confers Superior Efficacy Against Trypanosoma Cruzi Acs Med.Chem.Lett., 5, 2014
7YV1	Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab 分子名称: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ... 著者 Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A. 登録日 2022-08-18 公開日 2023-07-26 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.454 Å) 主引用文献 Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets. J.Am.Chem.Soc., 145, 2023
7YPP	Structural basis of a superoxide dismutase from a tardigrade, Ramazzottius varieornatus strain YOKOZUNA-1. 分子名称: CALCIUM ION, COPPER (II) ION, Superoxide dismutase [Cu-Zn], ... 著者 Sim, K.-S, Fukuda, Y, Inoue, T. 登録日 2022-08-04 公開日 2023-07-26 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structure of a superoxide dismutase from a tardigrade: Ramazzottius varieornatus strain YOKOZUNA-1. Acta Crystallogr.,Sect.F, 79, 2023
2ZCH	Crystal structure of human prostate specific antigen complexed with an activating antibody 分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, PHOSPHATE ION, ... 著者 Menez, R, Stura, E, Jolivet-Reynaud, C. 登録日 2007-11-08 公開日 2008-01-29 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (2.83 Å) 主引用文献 Crystal structure of a ternary complex between human prostate-specific antigen, its substrate acyl intermediate and an activating antibody J.Mol.Biol., 376, 2008
2ZP3	Carboxylic ester hydrolase, single mutant d49n of bovine pancreatic pla2 enzyme 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... 著者 Kanaujia, S.P, Sekar, K. 登録日 2008-06-27 公開日 2008-11-04 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structures and molecular-dynamics studies of three active-site mutants of bovine pancreatic phospholipase A(2) Acta Crystallogr.,Sect.D, 64, 2008
4C0C	Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(2,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide. 分子名称: 4-[4-[2,4-bis(fluoranyl)phenyl]piperazin-1-yl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Calvet, C.M, Vieira, D.F, Choi, J.Y, Cameron, M.D, Gut, J, Kellar, D, Siqueira-Neto, J.L, McKerrow, J.H, Roush, W.R, Podust, L.M. 登録日 2013-08-01 公開日 2014-08-20 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.04 Å) 主引用文献 4-Aminopyridyl-Based Cyp51 Inhibitors as Anti-Trypanosoma Cruzi Drug Leads with Improved Pharmacokinetic Profile and in Vivo Potency. J.Med.Chem., 57, 2014
7YUZ	Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784 分子名称: AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ... 著者 Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. 登録日 2022-08-18 公開日 2023-07-26 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.878 Å) 主引用文献 Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets. J.Am.Chem.Soc., 145, 2023
4C9O	Structure of Cyanide and Camphor bound D259N mutant of CYP101D1 分子名称: CAMPHOR, CYANIDE ION, CYTOCHROME P450, ... 著者 Batabyal, D, L Poulos, T. 登録日 2013-10-02 公開日 2013-12-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.977 Å) 主引用文献 Crystal Structures and Functional Characterization of Wild-Type Cyp101D1 and its Active Site Mutants. Biochemistry, 52, 2013
2ZPP	Neutron crystal structure of cubic insulin at pD9 分子名称: Insulin A chain, Insulin B chain 著者 Ishikawa, T, Tanaka, I, Niimura, N. 登録日 2008-07-26 公開日 2008-10-28 最終更新日 2023-11-01 実験手法 NEUTRON DIFFRACTION (2.5 Å) 主引用文献 An abnormal pK(a) value of internal histidine of the insulin molecule revealed by neutron crystallographic analysis Biochem.Biophys.Res.Commun., 376, 2008
2ZPS	Crystal structure of anionic trypsin isoform 3 from chum salmon 分子名称: Anionic trypsin, BENZAMIDINE, CALCIUM ION 著者 Iyaguchi, D, Toyota, E. 登録日 2008-07-28 公開日 2009-07-28 最終更新日 2016-09-28 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 A structural comparison of three isoforms of anionic trypsin from chum salmon (Oncorhynchus keta). Acta Crystallogr.,Sect.D, 65, 2009
2ZQ1	Exploring trypsin S3 pocket 分子名称: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ... 著者 Brandt, T, Baum, B, Heine, A, Klebe, G. 登録日 2008-08-03 公開日 2009-08-04 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties J.Mol.Biol., 405, 2011
4IB9	Bovine beta-lactoglobulin (isoform B) in complex with dodecyltrimethylammonium (DTAC) 分子名称: DODECANE-TRIMETHYLAMINE, GLYCEROL, beta-lactoglobulin 著者 Loch, J.I, Bonarek, P, Polit, A, Swiatek, S, Dziedzicka-Wasylewska, M, Lewinski, K. 登録日 2012-12-08 公開日 2013-06-26 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 The differences in binding 12-carbon aliphatic ligands by bovine beta-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallography J.Mol.Recognit., 26, 2013
4CBO	Crystal structure of Complement Factor D mutant R202A after ensemble refinement 分子名称: COMPLEMENT FACTOR D, GLYCEROL 著者 Forneris, F, Burnley, B.T, Gros, P. 登録日 2013-10-15 公開日 2013-12-18 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Ensemble Refinement Shows Conformational Flexibility in Crystal Structures of Human Complement Factor D Acta Crystallogr.,Sect.D, 70, 2014
4ILE	Structure of human ADP-ribosylation factor-like 8A binding to GDP 分子名称: ADP-ribosylation factor-like protein 8A, GUANOSINE-5'-DIPHOSPHATE 著者 Xie, Y, Ren, J, Cheng, Z, Qian, H. 登録日 2012-12-31 公開日 2014-01-01 最終更新日 2023-12-06 実験手法 X-RAY DIFFRACTION (2.676 Å) 主引用文献 Structure of human ADP-ribosylation factor-like 8A binding to GDP To be Published
4EDE	Crystal Structure of the Q108K:K40L:T51V:T53C:Y19W:R58W:T29L:A33W Mutant of Cellular Retinol Binding Protein Type II in Complex with All-trans-Retinal at 1.4 Angstrom Resolution 分子名称: ACETATE ION, RETINAL, Retinol-binding protein 2 著者 Nossoni, Z, Geiger, J.H. 登録日 2012-03-27 公開日 2012-12-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Tuning the electronic absorption of protein-embedded all-trans-retinal. Science, 338, 2012
4C9N	Structure of camphor and hydroxycamphor bound D259N mutant of CYP101D1 分子名称: 5-EXO-HYDROXYCAMPHOR, CAMPHOR, CYTOCHROME P450, ... 著者 Batabyal, D, L Poulos, T. 登録日 2013-10-02 公開日 2013-12-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1. Biochemistry, 52, 2013
4EEJ	Crystal Structure of the Q108K:K40L:T51V:T53C:Y19W:R58W:T29L:Q4R Mutant of Cellular Retinol Binding Protein Type II in Complex with All-trans-Retinal at 1.5 Angstrom Resolution 分子名称: ACETATE ION, RETINAL, Retinol-binding protein 2 著者 Nossoni, Z, Geiger, J.H. 登録日 2012-03-28 公開日 2012-12-26 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.501 Å) 主引用文献 Tuning the electronic absorption of protein-embedded all-trans-retinal. Science, 338, 2012
2ZS1	Structural Basis for the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin 分子名称: CHLORIDE ION, Extracellular giant hemoglobin major globin subunit A1, Extracellular giant hemoglobin major globin subunit A2, ... 著者 Numoto, N, Nakagawa, T, Kita, A, Sasayama, Y, Fukumori, Y, Miki, K. 登録日 2008-09-02 公開日 2008-10-21 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural Basis for the Heterotropic and Homotropic Interactions of Invertebrate Giant Hemoglobin Biochemistry, 47, 2008
4IIM	Crystal structure of the Second SH3 Domain of ITSN1 bound with a synthetic peptide 分子名称: Intersectin-1, UNKNOWN ATOM OR ION, peptide ligand 著者 Dong, A, Guan, X, Huang, H, Wernimont, A, Gu, J, Sidhu, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) 登録日 2012-12-20 公開日 2013-01-23 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Crystal structure of the Second SH3 Domain of ITSN1 bound with a synthetic peptide To be Published
4C9K	Structure of Camphor and Hydroxycamphor bound wild type CYP101D1 分子名称: 5-EXO-HYDROXYCAMPHOR, CAMPHOR, CYTOCHROME P450, ... 著者 Batabyal, D, L Poulos, T. 登録日 2013-10-02 公開日 2013-12-04 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Crystal Structures and Functional Characterization of Wild-Type Cyp101D1 and its Active Site Mutants. Biochemistry, 52, 2013
2ZSP	Carbonmonoxy Sperm Whale Myoglobin at 120 K: Laser on [300 min] 分子名称: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... 著者 Tomita, A, Sato, T, Ichiyanagi, K, Nozawa, S, Ichikawa, H, Chollet, M, Kawai, F, Park, S.-Y, Koshihara, S, Adachi, S. 登録日 2008-09-17 公開日 2009-02-24 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.21 Å) 主引用文献 Visualizing breathing motion of internal cavities in concert with ligand migration in myoglobin Proc.Natl.Acad.Sci.USA, 106, 2009
4EFN	Crystal structure of H-Ras Q61L in complex with GppNHp (state 1) 分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER 著者 Muraoka, S, Shima, F, Araki, M, Inoue, T, Yoshimoto, A, Ijiri, Y, Seki, N, Tamura, A, Kumasaka, T, Yamamoto, M, Kataoka, T. 登録日 2012-03-30 公開日 2012-05-16 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structures of the state 1 conformations of the GTP-bound H-Ras protein and its oncogenic G12V and Q61L mutants Febs Lett., 586, 2012
4EGN	The X-ray crystal structure of CYP199A4 in complex with veratric acid 分子名称: 3,4-dimethoxybenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Zhou, W, Bell, S.G, Yang, W, Zhou, R.M, Tan, A.B.H, Wong, L.-L. 登録日 2012-03-31 公開日 2013-02-20 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Investigation of the substrate range of CYP199A4: modification of the partition between hydroxylation and desaturation activities by substrate and protein engineering Chemistry, 18, 2012

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