PDB: 12060 件ウェブページステータス検索Chemie searchBIRD

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3IBA	Crystal structure of the complex of Trypanosoma cruzi farnesyl diphosphate synthase with zoledronate, IPP and Mg2+ 分子名称: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... 著者 Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. 登録日 2009-07-15 公開日 2010-02-09 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
4QMZ	MST3 IN COMPLEX WITH SUNITINIB 分子名称: CHLORIDE ION, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide, SERINE/THREONINE-PROTEIN KINASE 24 著者 Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. 登録日 2014-06-16 公開日 2015-07-01 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
8CW9	Prefusion-stabilized hMPV fusion protein bound to ADI-61026 and MPE8 Fabs 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADI-61026 heavy, ADI-61026 light, ... 著者 Hsieh, C.-L, McLellan, J.S. 登録日 2022-05-18 公開日 2022-08-10 最終更新日 2023-02-22 実験手法 ELECTRON MICROSCOPY (3.46 Å) 主引用文献 Potently neutralizing and protective anti-human metapneumovirus antibodies target diverse sites on the fusion glycoprotein. Immunity, 55, 2022
3IA5	Moritella profunda dihydrofolate reductase (DHFR) 分子名称: Dihydrofolate reductase, PHOSPHATE ION 著者 Hay, S, Evans, R.M, Levy, C, Wang, X, Loveridge, E.J, Leys, D, Allemann, R.K, Scrutton, N.S. 登録日 2009-07-13 公開日 2009-07-21 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Are the Catalytic Properties of Enzymes from Piezophilic Organisms Pressure Adapted? Chembiochem, 10, 2009
7EBA	Co-crystal of kurarinone with sEH 分子名称: (2S)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one, Bifunctional epoxide hydrolase 2 著者 Sun, C.P, Ma, X.C. 登録日 2021-03-09 公開日 2022-03-09 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Kurarinone alleviated Parkinson's disease via stabilization of epoxyeicosatrienoic acids in animal model. Proc.Natl.Acad.Sci.USA, 119, 2022
3ICK	Trypanosoma cruzi farnesyl diphosphate synthase homodimer in complex with minodronate and isopentenyl disphosphate 分子名称: (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETIC ACID, ... 著者 Amzel, L.M, Huang, C.H, Gabelli, S.B, Oldfield, E. 登録日 2009-07-17 公開日 2010-02-09 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Binding of nitrogen-containing bisphosphonates (N-BPs) to the Trypanosoma cruzi farnesyl diphosphate synthase homodimer. Proteins, 78, 2010
2JBK	membrane-bound glutamate carboxypeptidase II (GCPII) in complex with quisqualic acid (quisqualate, alpha-amino-3,5-dioxo-1,2,4- oxadiazolidine-2-propanoic acid) 分子名称: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, 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 Mesters, J.R, Henning, K, Hilgenfeld, R. 登録日 2006-12-07 公開日 2006-12-18 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (2.99 Å) 主引用文献 Human Glutamate Carboxypeptidase II Inhibition: Structures of Gcpii in Complex with Two Potent Inhibitors, Quisqualate and 2-Pmpa. Acta Crystallogr.,Sect.D, 63, 2007
2J9Y	Tryptophan Synthase Q114N mutant in complex with Compound II 分子名称: (3E)-4-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}-2-IMINOBUT-3-ENOIC ACID, SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, ... 著者 Blumenstein, L, Domratcheva, T, Niks, D, Ngo, H, Seidel, R, Dunn, M.F, Schlichting, I. 登録日 2006-11-16 公開日 2007-12-04 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Betaq114N and Betat110V Mutations Reveal a Critically Important Role of the Substrate Alpha-Carboxylate Site in the Reaction Specificity of Tryptophan Synthase. Biochemistry, 46, 2007
7KK2	Structure of the catalytic domain of PARP1 分子名称: Poly [ADP-ribose] polymerase 1, SULFATE ION 著者 Gajiwala, K.S, Ryan, K. 登録日 2020-10-27 公開日 2021-01-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.695 Å) 主引用文献 Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1. J.Biol.Chem., 296, 2021
2J9Z	Tryptophan Synthase T110 mutant complex 分子名称: PYRIDOXAL-5'-PHOSPHATE, SODIUM ION, TRYPTOPHAN SYNTHASE ALPHA CHAIN, ... 著者 Blumenstein, L, Domratcheva, T, Niks, D, Ngo, H, Seidel, R, Dunn, M.F, Schlichting, I. 登録日 2006-11-16 公開日 2007-12-04 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Betaq114N and Betat110V Mutations Reveal a Critically Important Role of the Substrate Alpha-Carboxylate Site in the Reaction Specificity of Tryptophan Synthase. Biochemistry, 46, 2007
2JBJ	membrane-bound glutamate carboxypeptidase II (GCPII) in complex with 2-PMPA (2-phosphonoMethyl-pentanedioic acid) 分子名称: (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, 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 Mesters, J.R, Henning, K, Hilgenfeld, R. 登録日 2006-12-07 公開日 2006-12-18 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.19 Å) 主引用文献 Human Glutamate Carboxypeptidase II Inhibition: Structures of Gcpii in Complex with Two Potent Inhibitors, Quisqualate and 2-Pmpa. Acta Crystallogr.,Sect.D, 63, 2007
4PYY	Crystal structure of human carbonic anhydrase isozyme II with inhibitor 分子名称: 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION 著者 Smirnov, A, Manakova, E, Grazulis, S. 登録日 2014-03-28 公開日 2015-01-28 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
3IJW	Crystal structure of BA2930 in complex with CoA 分子名称: ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, CHLORIDE ION, ... 著者 Klimecka, M.M, Chruszcz, M, Skarina, T, Onopryienko, O, Cymborowski, M, Savchenko, A, Edwards, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) 登録日 2009-08-05 公開日 2009-10-13 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis. J.Mol.Biol., 410, 2011
6AVH	GH3.15 acyl acid amido synthetase 分子名称: ADENOSINE MONOPHOSPHATE, GH3.15 acyl acid amido synthetase 著者 Sherp, A.M, Jez, J.M. 登録日 2017-09-02 公開日 2018-02-14 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.011 Å) 主引用文献 Arabidopsis thalianaGH3.15 acyl acid amido synthetase has a highly specific substrate preference for the auxin precursor indole-3-butyric acid. J. Biol. Chem., 293, 2018
2J79	Beta-glucosidase from Thermotoga maritima in complex with galacto- hydroximolactam 分子名称: (2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE, ACETATE ION, BETA-GLUCOSIDASE A, ... 著者 Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J. 登録日 2006-10-06 公開日 2006-10-18 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics. J.Am.Chem.Soc., 129, 2007
3IJX	Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, hydrochlorothiazide 分子名称: 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, GLUTAMIC ACID, Glutamate receptor 2, ... 著者 Ptak, C.P, Ahmed, A.H, Oswald, R.E. 登録日 2009-08-05 公開日 2009-09-15 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.881 Å) 主引用文献 Probing the allosteric modulator binding site of GluR2 with thiazide derivatives Biochemistry, 48, 2009
7KK5	Structure of the catalytic domain of PARP1 in complex with niraparib 分子名称: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Poly [ADP-ribose] polymerase 1, SULFATE ION 著者 Gajiwala, K.S, Ryan, K. 登録日 2020-10-27 公開日 2021-01-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1. J.Biol.Chem., 296, 2021
8IVU	Crystal Structure of Human NAMPT in complex with A4276 分子名称: N-[[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl]pyridine-3-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION 著者 Kang, B.G, Cha, S.S. 登録日 2023-03-28 公開日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.09000921 Å) 主引用文献 Discovery of a novel NAMPT inhibitor that selectively targets NAPRT-deficient EMT-subtype cancer cells and alleviates chemotherapy-induced peripheral neuropathy. Theranostics, 13, 2023
6M6E	Solution structure of the core domain of Fibroblast growth factor 21 (FGF21) 分子名称: Fibroblast growth factor 21 著者 Zhu, L, Zhao, H, Wang, J. 登録日 2020-03-14 公開日 2021-01-20 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Dynamic folding modulation generates FGF21 variant against diabetes. Embo Rep., 22, 2021
6M6F	Solution structure of disulfide bond mutaion of the core domain of Fibroblast growth factor 21 (FGF21) 分子名称: Fibroblast growth factor 21 著者 Zhu, L, Zhao, H, Wang, J. 登録日 2020-03-14 公開日 2021-01-20 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Dynamic folding modulation generates FGF21 variant against diabetes. Embo Rep., 22, 2021
2IQH	Influenza A virus nucleoprotein NP at 3.2A resolution 分子名称: Nucleocapsid protein 著者 Ye, Q, Tao, Y.J. 登録日 2006-10-13 公開日 2006-12-26 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 The mechanism by which influenza A virus nucleoprotein forms oligomers and binds RNA. Nature, 444, 2006
2IKU	Crystal Structure of Human Renin Complexed with Inhibitors 分子名称: 6-ETHYL-5-[(2S)-1-(3-METHOXYPROPYL)-2-PHENYL-1,2,3,4-TETRAHYDROQUINOLIN-7-YL]PYRIMIDINE-2,4-DIAMINE, Renin 著者 Mochalkin, I. 登録日 2006-10-02 公開日 2006-12-05 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Binding thermodynamics of substituted diaminopyrimidine renin inhibitors. Anal.Biochem., 360, 2007
2ILM	Factor Inhibiting HIF-1 Alpha D201A Mutant in Complex with FE(II), Alpha-Ketoglutarate and HIF-1 Alpha 35mer 分子名称: 2-OXOGLUTARIC ACID, BICARBONATE ION, FE (II) ION, ... 著者 Mcdonough, M.A, Schofield, C.J. 登録日 2006-10-03 公開日 2007-08-14 最終更新日 2023-08-30 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Evidence that two enzyme-derived histidine ligands are sufficient for iron binding and catalysis by factor inhibiting HIF (FIH). J.Biol.Chem., 283, 2008
7KKP	Structure of the catalytic domain of tankyrase 1 in complex with niraparib 分子名称: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, Poly [ADP-ribose] polymerase, SULFATE ION, ... 著者 Gajiwala, K.S, Ryan, K. 登録日 2020-10-27 公開日 2021-01-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Dissecting the molecular determinants of clinical PARP1 inhibitor selectivity for tankyrase1. J.Biol.Chem., 296, 2021
3IX9	Crystal structure of Streptococcus pneumoniae dihydrofolate reductase - Sp9 mutant 分子名称: Dihydrofolate reductase, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Yennawar, N.H. 登録日 2009-09-03 公開日 2010-02-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Kinetic and structural characterization of dihydrofolate reductase from Streptococcus pneumoniae Biochemistry, 49, 2010

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