PDB: 10530 件ウェブページステータス検索Chemie searchBIRD

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4ZBR	Crystal Structure of Equine Serum Albumin in complex with Diclofenac and Naproxen 分子名称: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid, (2S)-2-hydroxybutanedioic acid, 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID, ... 著者 Sekula, B, Bujacz, A, Bujacz, G. 登録日 2015-04-15 公開日 2015-12-23 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Structural Insights into the Competitive Binding of Diclofenac and Naproxen by Equine Serum Albumin. J.Med.Chem., 59, 2016
3VOD	Crystal Structure of mutant MarR C80S from E.coli 分子名称: Multiple antibiotic resistance protein marR 著者 Lou, H, Zhu, R, Hao, Z. 登録日 2012-01-21 公開日 2013-03-06 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 The multiple antibiotic resistance regulator MarR is a copper sensor in Escherichia coli. Nat.Chem.Biol., 10, 2014
3VTV	Crystal structure of Optineurin LIR-fused human LC3B_2-119 分子名称: Optineurin, microtubule-associated proteins 1A/1B light chain 3B, SULFATE ION 著者 Suzuki, H, Kawasaki, M, Kato, R, Wakatsuki, S. 登録日 2012-06-08 公開日 2013-06-26 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural basis for phosphorylation-triggered autophagic clearance of Salmonella Biochem.J., 454, 2013
5LUL	Structure of a triple variant of cutinase 2 from Thermobifida cellulosilytica 分子名称: CALCIUM ION, CHLORIDE ION, Cutinase 2 著者 Hromic, A, Lyskowski, A, Gruber, K. 登録日 2016-09-09 公開日 2017-07-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Small cause, large effect: Structural characterization of cutinases from Thermobifida cellulosilytica. Biotechnol. Bioeng., 114, 2017
5AAO	Crystal structure of fluorogen-activating designed ankyrin repeat protein (DARPin) dimer in complex with malachite green 分子名称: 4-[[4-(dimethylamino)cyclohexa-2,5-dien-1-ylidene]-(4-methoxyphenyl)methyl]-N,N-dimethyl-aniline, FAD3210 著者 Batyuk, A, Schuetz, M, Kummer, L, Wu, Y, Mittl, P, Plueckthun, A. 登録日 2015-07-27 公開日 2016-02-03 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Generation of Fluorogen-Activating Designed Ankyrin Repeat Proteins (FADAs) as Versatile Sensor Tools. J. Mol. Biol., 428, 2016
8PIU	60-meric complex of dihydrolipoamide acetyltransferase (E2) of the human pyruvate dehydrogenase complex 分子名称: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial 著者 Zdanowicz, R, Afanasyev, P, Boehringer, D, Glockshuber, R. 登録日 2023-06-22 公開日 2024-07-10 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 Stoichiometry and architecture of the human pyruvate dehydrogenase complex Sci Adv, 2024
5LPU	Crystal structure of Annexin A2 complexed with S100A4 分子名称: Annexin A2, CALCIUM ION, GLYCEROL, ... 著者 Ecsedi, P, Gogl, G, Kiss, B, Nyitray, L. 登録日 2016-08-15 公開日 2017-07-05 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Regulation of the Equilibrium between Closed and Open Conformations of Annexin A2 by N-Terminal Phosphorylation and S100A4-Binding. Structure, 25, 2017
5AK7	Structure of wt Porphyromonas gingivalis peptidylarginine deiminase 分子名称: 1,2-ETHANEDIOL, ALANINE, ARGININE, ... 著者 Kopec, J, Montgomery, A, Shrestha, L, Kiyani, W, Nowak, R, Burgess-Brown, N, Venables, P.J, Yue, W.W. 登録日 2015-03-02 公開日 2015-07-22 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.46 Å) 主引用文献 Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase: Implications for Autoimmunity in Rheumatoid Arthritis. Ann.Rheum.Dis., 75, 2016
3W6H	Crystal structure of 19F probe-labeled hCAI in complex with acetazolamide 分子名称: 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 1, ... 著者 Takaoka, Y, Kioi, Y, Morito, A, Otani, J, Arita, K, Ashihara, E, Ariyoshi, M, Tochio, H, Shirakawa, M, Hamachi, I. 登録日 2013-02-14 公開日 2013-03-13 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.964 Å) 主引用文献 Quantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR To be published
4R0I	CRYSTAL STRUCTURE of MATRIPTASE in COMPLEX WITH INHIBITOR 分子名称: 3-({(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide, SERINE PROTEASE, MATRIPTASE, ... 著者 Rao, K.N, Ashok, K.N, Chakshusmathi, G, Rajeev, G, Subramanya, H. 登録日 2014-07-31 公開日 2015-02-11 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Discovery of O-(3-carbamimidoylphenyl)-l-serine amides as matriptase inhibitors using a fragment-linking approach Bioorg.Med.Chem.Lett., 25, 2015
5LXL	NMR structure of the N-terminal domain of the Bacteriophage T5 decoration protein pb10 分子名称: Decoration protein 著者 Vernhes, E, Gilquin, B, Cuniasse, P, Boulanger, P, Zinn-Justin, S. 登録日 2016-09-22 公開日 2017-04-19 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 High affinity anchoring of the decoration protein pb10 onto the bacteriophage T5 capsid. Sci Rep, 7, 2017
6MAZ	Crystal structure of N-myristoyl transferase (NMT) G386E mutant from Plasmodium vivax in complex with inhibitor IMP-0366 分子名称: 1,2-ETHANEDIOL, 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, CHLORIDE ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2018-08-29 公開日 2019-06-05 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structure-Guided Identification of Resistance Breaking Antimalarial N‐Myristoyltransferase Inhibitors. Cell Chem Biol, 26, 2019
4R6Q	Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. 分子名称: 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... 著者 Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. 登録日 2014-08-26 公開日 2015-02-18 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity. Acta Crystallogr.,Sect.D, 71, 2015
4QR3	Brd4 Bromodomain 1 complex with its novel inhibitors 分子名称: Bromodomain-containing protein 4, N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide 著者 Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. 登録日 2014-06-30 公開日 2015-07-01 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.374 Å) 主引用文献 Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
5A8Z	Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile, Neutrophil elastase, ... 著者 von Nussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. 登録日 2015-07-17 公開日 2016-08-03 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model. ChemMedChem, 11, 2016
3WV3	Crystal structure of the catalytic domain of MMP-13 complexed with N-(3-methoxybenzyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-2-carboxamide 分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Collagenase 3, ... 著者 Oki, H, Tanaka, Y. 登録日 2014-05-12 公開日 2014-09-24 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Thieno[2,3-d]pyrimidine-2-carboxamides bearing a carboxybenzene group at 5-position: highly potent, selective, and orally available MMP-13 inhibitors interacting with the S1′′ binding site. Bioorg.Med.Chem., 22, 2014
4QR4	Brd4 Bromodomain 1 complex with its novel inhibitors 分子名称: 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4 著者 Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C. 登録日 2014-06-30 公開日 2015-07-01 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.28 Å) 主引用文献 Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization J.Med.Chem., 58, 2015
5BY3	A novel family GH115 4-O-Methyl-alpha-glucuronidase, BtGH115A, with specificity for decorated arabinogalactans 分子名称: BtGH115A, NICKEL (II) ION, SULFATE ION 著者 Lammerts van Bueren, A, Davies, G.J, Turkenburg, J.P. 登録日 2015-06-10 公開日 2015-07-22 最終更新日 2015-12-09 実験手法 X-RAY DIFFRACTION (2.44 Å) 主引用文献 Structural and Functional Characterization of a Novel Family GH115 4-O-Methyl-alpha-Glucuronidase with Specificity for Decorated Arabinogalactans. J.Mol.Biol., 427, 2015
5MRS	Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF 分子名称: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... 著者 Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A. 登録日 2016-12-26 公開日 2018-01-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF To Be Published
3W6I	Crystal structure of 19F probe-labeled hCAI 分子名称: 1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene, Carbonic anhydrase 1, ZINC ION 著者 Takaoka, Y, Kioi, Y, Morito, A, Otani, J, Arita, K, Ashihara, E, Ariyoshi, M, Tochio, H, Shirakawa, M, Hamachi, I. 登録日 2013-02-14 公開日 2013-03-13 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.693 Å) 主引用文献 Quantitative Comparison of Protein Dynamics in Live Cells and In Vitro by In-Cell 19F-NMR To be published
4RCL	Structure of EspG3 chaperone from the type VII (ESX-3) secretion system, space group P43212 分子名称: ESPG3 著者 Korotkov, K.V. 登録日 2014-09-16 公開日 2015-09-16 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structural Variability of EspG Chaperones from Mycobacterial ESX-1, ESX-3, and ESX-5 Type VII Secretion Systems. J. Mol. Biol., 431, 2019
3W7A	Crystal Structure of azoreductase AzrC fin complex with sulfone-modified azo dye Acid Red 88 分子名称: 4-[(E)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid, CALCIUM ION, FLAVIN MONONUCLEOTIDE, ... 著者 Yu, J, Ogata, D, Ooi, T, Yao, M. 登録日 2013-02-27 公開日 2014-02-12 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism. Acta Crystallogr.,Sect.D, 70, 2014
5MTR	Crystal structure of M. tuberculosis InhA inhibited by PT512 分子名称: 2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... 著者 Eltschkner, S, Pschibul, A, Spagnuolo, L.A, Yu, W, Tonge, P.J, Kisker, C. 登録日 2017-01-10 公開日 2017-02-15 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Evaluating the Contribution of Transition-State Destabilization to Changes in the Residence Time of Triazole-Based InhA Inhibitors. J. Am. Chem. Soc., 139, 2017
6LWA	Crystal structure of human NEIL1(P2G, E3Q, K242) bound to duplex DNA containing 5-hydroxyuracil (5-OHU) 分子名称: DNA (5'-D(*CP*GP*TP*CP*CP*AP*(OHU)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 著者 Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. 登録日 2020-02-07 公開日 2021-06-09 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.76 Å) 主引用文献 DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes. Nat Commun, 12, 2021
6LWF	Crystal structure of human NEIL1(P2G, E3Q, K242) bound to duplex DNA containing guanidinohydantoin (Gh) 分子名称: DNA (5'-D(*CP*GP*TP*CP*CP*AP*(DGH)P*GP*TP*CP*TP*AP*C)-3'), DNA (5'-D(*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*G)-3'), Endonuclease 8-like 1 著者 Liu, M.H, Zhang, J, Zhu, C.X, Zhang, X.X, Gao, Y.Q, Yi, C.Q. 登録日 2020-02-07 公開日 2021-06-09 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.79 Å) 主引用文献 DNA repair glycosylase hNEIL1 triages damaged bases via competing interaction modes. Nat Commun, 12, 2021

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