PDB: 243531 件ウェブページステータス検索Chemie searchBIRD

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2WS3	Crystal structure of the E. coli succinate:quinone oxidoreductase (SQR) SdhD Tyr83Phe mutant 分子名称: 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... 著者 Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G. 登録日 2009-09-03 公開日 2010-08-25 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Succinate Dehydrogenase Activity To be Published
3U97	1.1 Angstrom-resolution crystal structure of the Brucella abortus ribonuclease toxin, BrnT 分子名称: Ribonuclease toxin BrnT 著者 Heaton, B, Herrou, J, Crosson, S. 登録日 2011-10-18 公開日 2012-02-22 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.102 Å) 主引用文献 Molecular Structure and Function of the Novel BrnT/BrnA Toxin-Antitoxin System of Brucella abortus. J.Biol.Chem., 287, 2012
2ZM0	Structure of 6-aminohexanoate-dimer hydrolase, G181D/H266N/D370Y mutant 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-aminohexanoate-dimer hydrolase, GLYCEROL, ... 著者 Ohki, T, Shibata, N, Higuchi, Y, Kawashima, Y, Takeo, M, Kato, D, Nego, S. 登録日 2008-04-10 公開日 2009-04-07 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Molecular design of a nylon-6 byproduct-degrading enzyme from a carboxylesterase with a beta-lactamase fold. Febs J., 276, 2009
3RWB	Crystal structure of complex of 4PAL (4-Pyridoxolactone) and PLDH (tetrameric pyridoxal 4-dehydrogenase) from Mesorhizobium loti 分子名称: 7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3H)-one, GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... 著者 Chu, H.N. 登録日 2011-05-08 公開日 2012-05-09 最終更新日 2023-11-01 実験手法 X-RAY DIFFRACTION (1.699 Å) 主引用文献 Crystal structure of complex of 4PAL (4-Pyridoxolactone) and PLDH (tetrameric pyridoxal 4-dehydrogenase) from Mesorhizobium loti TO BE PUBLISHED
7D91	Crystal Structure of the Na+,K+-ATPase in the E2P state with bound Mg2+ (P4(3)2(1)2 symmetry) 分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Kanai, R, Cornelius, F, Ogawa, H, Motoyama, K, Vilsen, B, Toyoshima, C. 登録日 2020-10-12 公開日 2021-01-27 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (3.35 Å) 主引用文献 Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state. Proc.Natl.Acad.Sci.USA, 118, 2021
7D92	Crystal Structure of the Na+,K+-ATPase in the E2P state with bound Mg2+ and anthroylouabain (P4(3)2(1)2 symmetry) 分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Kanai, R, Cornelius, F, Ogawa, H, Motoyama, K, Vilsen, B, Toyoshima, C. 登録日 2020-10-12 公開日 2021-01-27 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (3.9 Å) 主引用文献 Binding of cardiotonic steroids to Na + ,K + -ATPase in the E2P state. Proc.Natl.Acad.Sci.USA, 118, 2021
3S9U	Bacillus anthracis Dihydrofolate Reductase bound to propargyl-linked TMP analog, UCP120J 分子名称: 6-ethyl-5-[3-(4-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Anderson, A.C, Beierlein, J.M. 登録日 2011-06-02 公開日 2012-06-13 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structure-Activity Studies of Heterocyclic Propargyl-linked TMP Analogs Targeting Bacillus anthracis Dihydrofolate Reductase To be Published
5RA5	PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11302a in complex with MAP kinase p38-alpha 分子名称: (1~{S},5~{R})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-04 公開日 2020-07-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
3ZWS	Structure of Human Dihydroorotate Dehydrogenase with a Bound Inhibitor 分子名称: 2-[(2,5-DICHLOROBENZYL)SULFANYL]-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL, ACETATE ION, CHLORIDE ION, ... 著者 Acklam, P.A, Parsons, M.R. 登録日 2011-08-02 公開日 2012-06-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Factors Influencing the Specificity of Inhibitor Binding to the Human and Malaria Parasite Dihydroorotate Dehydrogenases. J.Med.Chem., 55, 2012
4K7V	OYE1-W116A complexed with (R)-carvone 分子名称: (5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... 著者 Sullivan, B, Pompeu, Y.A, Stewart, J.D. 登録日 2013-04-17 公開日 2013-10-09 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.516 Å) 主引用文献 X‑ray Crystallography Reveals How Subtle Changes Control the Orientation of Substrate Binding in an Alkene Reductase ACS CATALYSIS, 3, 2013
3EXE	Crystal structure of the pyruvate dehydrogenase (E1p) component of human pyruvate dehydrogenase complex 分子名称: GLYCEROL, MANGANESE (II) ION, POTASSIUM ION, ... 著者 Kato, M, Wynn, R.M, Chuang, J.L, Tso, S.-C, Machius, M, Li, J, Chuang, D.T. 登録日 2008-10-16 公開日 2008-11-25 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.979 Å) 主引用文献 Structural basis for inactivation of the human pyruvate dehydrogenase complex by phosphorylation: role of disordered phosphorylation loops. Structure, 16, 2008
4E6Q	JAK2 kinase (JH1 domain) triple mutant in complex with compound 12 分子名称: 1-(1-benzylpiperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2 著者 Murray, J.M. 登録日 2012-03-15 公開日 2012-05-30 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.948 Å) 主引用文献 Identification of Imidazo-Pyrrolopyridines as Novel and Potent JAK1 Inhibitors. J.Med.Chem., 55, 2012
4PV1	Cytochrome B6F structure from M. laminosus with the quinone analog inhibitor stigmatellin 分子名称: (1R)-2-(dodecanoyloxy)-1-[(phosphonooxy)methyl]ethyl tetradecanoate, (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... 著者 Hasan, S.S, Yamashita, E, Cramer, W.A. 登録日 2014-03-14 公開日 2014-08-20 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Traffic within the cytochrome b6f lipoprotein complex: gating of the quinone portal. Biophys.J., 107, 2014
3UR4	Crystal structure of human WD repeat domain 5 with compound 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... 著者 Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) 登録日 2011-11-21 公開日 2011-12-14 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5. Biochem. J., 449, 2013
1ZK7	Crystal Structure of Tn501 MerA 分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Mercuric reductase, ... 著者 Dong, A, Ledwidge, R, Patel, B, Fiedler, D, Falkowski, M, Zelikova, J, Summers, A.O, Pai, E.F, Miller, S.M. 登録日 2005-05-02 公開日 2005-07-05 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 NmerA, the Metal Binding Domain of Mercuric Ion Reductase, Removes Hg(2+) from Proteins, Delivers It to the Catalytic Core, and Protects Cells under Glutathione-Depleted Conditions Biochemistry, 44, 2005
4LA7	X-ray crystal structure of the PYL2-quinabactin-Hab1 ternary complex 分子名称: ACETATE ION, Abscisic acid receptor PYL2, GLYCEROL, ... 著者 Peterson, F.C, Volkman, B.F, Cutler, S.R. 登録日 2013-06-19 公開日 2013-08-07 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.98 Å) 主引用文献 Activation of dimeric ABA receptors elicits guard cell closure, ABA-regulated gene expression, and drought tolerance. Proc.Natl.Acad.Sci.USA, 110, 2013
3WZY	S266A mutant 3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 580MPa - complex with IPM and Mg 分子名称: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, MAGNESIUM ION 著者 Nagae, T, Watanabe, N. 登録日 2014-10-08 公開日 2015-10-14 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Pressure Adaptation of 3-Isopropylmalate Dehydrogenase from the Extremely Piezophilic Bacterium Shewanella benthica is Attributed to just One Amino Acid Substitution To be Published
7K1F	Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM_88558 分子名称: 1,4-DIETHYLENE DIOXIDE, 3,4-difluoro-N-({1-[(2R)-4-(hydroxyamino)-4-oxo-1-(quinolin-7-yl)butan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)benzamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Liang, W.G, Deprez, R, Bosc, D, Tang, W. 登録日 2020-09-07 公開日 2021-09-22 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 4 To Be Published
3EN8	Crystal structure of NTF-2 like protein of unknown function (YP_553245.1) from BURKHOLDERIA XENOVORANS LB400 at 1.85 A resolution 分子名称: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... 著者 Joint Center for Structural Genomics (JCSG) 登録日 2008-09-25 公開日 2008-10-07 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Crystal structure of NTF-2 like protein of unknown function (YP_553245.1) from BURKHOLDERIA XENOVORANS LB400 at 1.85 A resolution To be published
5U3K	Crystal Structure of DH511.2 Fab in Complex with HIV-1 gp41 MPER 662-683 Peptide 分子名称: CALCIUM ION, CHLORIDE ION, DH511.2 Fab Heavy Chain, ... 著者 Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F. 登録日 2016-12-02 公開日 2017-02-15 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.637 Å) 主引用文献 Potent and broad HIV-neutralizing antibodies in memory B cells and plasma. Sci Immunol, 2, 2017
4CWD	CRYSTAL STRUCTURE OF HUMAN GAMMA-BUTYROBETAINE,2-OXOGLUTARATE IN COMPLEX WITH 449, A NOVEL SUBSTRATE 分子名称: 4-carboxy-1,1-dimethylpiperidin-1-ium, DI(HYDROXYETHYL)ETHER, GAMMA-BUTYROBETAINE DIOXYGENASE, ... 著者 McDonough, M.A, Kochan, G, Rydzik, A, Schofield, C.J. 登録日 2014-04-02 公開日 2014-09-17 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.899 Å) 主引用文献 Oxygenase-catalyzed desymmetrization of N,N-dialkyl-piperidine-4-carboxylic acids. Angew. Chem. Int. Ed. Engl., 53, 2014
3WZW	3-isopropylmalate dehydrogenase from Shewanella oneidensis MR-1 at 580MPa - complex with IPM and Mg 分子名称: 3-ISOPROPYLMALIC ACID, 3-isopropylmalate dehydrogenase, MAGNESIUM ION 著者 Nagae, T, Watanabe, N. 登録日 2014-10-08 公開日 2015-10-14 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Pressure Adaptation of 3-Isopropylmalate Dehydrogenase from the Extremely Piezophilic Bacterium Shewanella benthica is Attributed to just One Amino Acid Substitution To be Published
2PDX	Human aldose reductase double mutant S302R-C303D complexed with zopolrestat. 分子名称: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Steuber, H, Heine, A, Klebe, G. 登録日 2007-04-01 公開日 2008-04-01 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Merging the binding sites of aldose and aldehyde reductase for detection of inhibitor selectivity-determining features. J.Mol.Biol., 379, 2008
3AE6	Crystal structure of porcine heart mitochondrial complex II bound with N-(3-Isopropoxy-phenyl)-phthalamicacid 分子名称: 2-{[3-(1-methylethoxy)phenyl]carbamoyl}benzoic acid, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ... 著者 Harada, S, Sasaki, T, Shindo, M, Kido, Y, Inaoka, D.K, Omori, J, Osanai, A, Sakamoto, K, Mao, J, Matsuoka, S, Inoue, M, Honma, T, Tanaka, A, Kita, K. 登録日 2010-02-04 公開日 2011-02-09 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 Crystal structure of porcine heart mitochondrial complex II bound with N-(3-Isopropoxy-phenyl)-phthalamicacid To be Published
3AFV	Dye-decolorizing peroxidase (DyP) at 1.4 A resolution 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DyP, PROTOPORPHYRIN IX CONTAINING FE 著者 Sugano, Y, Yoshida, T, Tsuge, H. 登録日 2010-03-11 公開日 2011-03-16 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 The catalytic mechanism of dye-decolorizing peroxidase DyP may require the swinging movement of an aspartic acid residue Febs J., 278, 2011

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