PDB: 17012 件ウェブページステータス検索Chemie searchBIRD

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3KUF	The Crystal Structure of the Tudor Domains from FXR1 分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Fragile X mental retardation syndrome-related protein 1, GLYCEROL 著者 Bian, C, Guo, Y.H, Adams-Cioaba, M.A, Mackenzie, F, Kozieradzki, I, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) 登録日 2009-11-27 公開日 2010-01-05 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Crystal structure of the Tudor domains from Fragile X mental retardation syndrome-related protein 1 To be Published
1ADL	ADIPOCYTE LIPID BINDING PROTEIN COMPLEXED WITH ARACHIDONIC ACID: X-RAY CRYSTALLOGRAPHIC AND TITRATION CALORIMETRY STUDIES 分子名称: ADIPOCYTE LIPID-BINDING PROTEIN, ARACHIDONIC ACID, PROPANOIC ACID 著者 Lalonde, J.M, Levenson, M, Roe, J.J, Bernlohr, D.A, Banaszak, L.J. 登録日 1994-03-25 公開日 1994-12-20 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Adipocyte lipid-binding protein complexed with arachidonic acid. Titration calorimetry and X-ray crystallographic studies. J.Biol.Chem., 269, 1994
3KVL	Crystal structure of human dihydroorotate dehydrogenase (DHODH) with amino-benzoic acid inhibitor 715 at 1.85A resolution 分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 5-[methyl(pyridin-3-ylmethyl)amino]-2-(propanoylamino)benzoic acid, ACETATE ION, ... 著者 McLean, L, Zhang, Y. 登録日 2009-11-30 公開日 2010-03-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures. Bioorg.Med.Chem.Lett., 20, 2010
3KQ4	Structure of Intrinsic Factor-Cobalamin bound to its receptor Cubilin 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... 著者 Andersen, C.B.F, Madsen, M, Moestrup, S.K, Andersen, G.R. 登録日 2009-11-17 公開日 2010-03-09 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 Structural basis for receptor recognition of vitamin-B(12)-intrinsic factor complexes. Nature, 464, 2010
5VO1	DLK in complex with compound 10 (5-(1-isopropyl-5-(3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl)-1H-pyrazol-3-yl)-3-(trifluoromethyl)pyridin-2-amine) 分子名称: 5-{5-[(1R,5S,6r)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(propan-2-yl)-1H-pyrazol-3-yl}-3-(trifluoromethyl)pyridin-2-amine, Mitogen-activated protein kinase kinase kinase 12 著者 HARRIS, S.F, YIN, J. 登録日 2017-05-01 公開日 2017-10-04 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.45 Å) 主引用文献 Selective Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12) with Activity in a Model of Alzheimer's Disease. J. Med. Chem., 60, 2017
1T94	Crystal structure of the catalytic core of human DNA polymerase kappa 分子名称: polymerase (DNA directed) kappa 著者 Uljon, S.N, Johnson, R.E, Edwards, T.A, Prakash, S, Prakash, L, Aggarwal, A.K. 登録日 2004-05-14 公開日 2004-08-31 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Crystal structure of the catalytic core of human DNA polymerase kappa. STRUCTURE, 12, 2004
5VPI	Crystal structure of human KRAS G12A mutant in complex with GTP 分子名称: GTPase KRas, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION 著者 Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. 登録日 2017-05-05 公開日 2017-12-06 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
1AFT	SMALL SUBUNIT C-TERMINAL INHIBITORY PEPTIDE OF MOUSE RIBONUCLEOTIDE REDUCTASE AS BOUND TO THE LARGE SUBUNIT, NMR, 26 STRUCTURES 分子名称: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE 著者 Laub, P.B, Fisher, A.L, Furst, G.T, Barwis, B.A, Hamann, C.S, Cooperman, B.S. 登録日 1997-03-13 公開日 1997-05-15 最終更新日 2017-11-29 実験手法 SOLUTION NMR 主引用文献 NMR structure of an inhibitory R2 C-terminal peptide bound to mouse ribonucleotide reductase R1 subunit. Nat.Struct.Biol., 2, 1995
1TBB	Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Rolipram 分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, ROLIPRAM, ... 著者 Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G. 登録日 2004-05-19 公開日 2004-08-03 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases Mol.Cell, 15, 2004
3KMA	Crystal Structure of vSET under Condition A 分子名称: A612L protein, CHLORIDE ION, GLYCEROL, ... 著者 Wei, H, Zhou, M.M. 登録日 2009-11-10 公開日 2010-11-10 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Dimerization of a viral SET protein endows its function. Proc.Natl.Acad.Sci.USA, 107, 2010
4ZL1	Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18X at 1.86 A resolution 分子名称: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... 著者 Huang, J, Wu, D, Ouyang, P, Lu, W, Pu, J. 登録日 2015-05-01 公開日 2016-05-04 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 18XYW at 1.86 A resolution To Be Published
5VME	Crystal structure of human IgG1 Fc K248E, T437R mutant 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, human IgG1 Fc K248E,T437R mutant 著者 Armstrong, A.A, Gilliland, G.L. 登録日 2017-04-27 公開日 2017-08-30 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Functional optimization of agonistic antibodies to OX40 receptor with novel Fc mutations to promote antibody multimerization. MAbs, 9, 2017
5VYK	Crystal structure of the BRS domain of BRAF in complex with the CC-SAM domain of KSR1 分子名称: Chimera protein of BRS domain of BRAF and CC-SAM domain of KSR1,Serine/threonine-protein kinase B-raf, GLYCEROL 著者 Maisonneuve, P, Kurinov, I, Marullo, S.A, Lavoie, H, Thevakumaran, N, Sahmi, M, Jin, T, Therrien, M, SIcheri, F. 登録日 2017-05-25 公開日 2018-02-14 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.749 Å) 主引用文献 MEK drives BRAF activation through allosteric control of KSR proteins. Nature, 554, 2018
3KPV	Crystal Structure of hPNMT in Complex AdoHcy and Adenine 分子名称: ADENINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE 著者 Drinkwater, N, Martin, J.L. 登録日 2009-11-17 公開日 2010-09-29 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
3KPJ	Crystal Structure of hPNMT in Complex AdoHcy and Bound Phosphate 分子名称: PHOSPHATE ION, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE 著者 Drinkwater, N, Martin, J.L. 登録日 2009-11-16 公開日 2010-09-29 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
3KQQ	Crystal Structure of hPNMT in Complex AdoHcy and 2-Hydroxynicotinic acid 分子名称: 2-oxo-1,2-dihydropyridine-3-carboxylic acid, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE 著者 Drinkwater, N, Martin, J.L. 登録日 2009-11-17 公開日 2010-09-29 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
4ZN9	Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with Oxabicyclic Heptene Sulfonate (OBHS) 分子名称: Estrogen receptor, Nuclear receptor-interacting peptide, cyclohexa-2,5-dien-1-yl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate 著者 Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. 登録日 2015-05-04 公開日 2015-09-09 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.215 Å) 主引用文献 Development of selective estrogen receptor modulator (SERM)-like activity through an indirect mechanism of estrogen receptor antagonism: defining the binding mode of 7-oxabicyclo[2.2.1]hept-5-ene scaffold core ligands. Chemmedchem, 7, 2012
3KQW	Crystal Structure of hPNMT in Complex AdoHcy and 5-Chlorobenzimidazole 分子名称: 5-chloro-1H-benzimidazole, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE 著者 Drinkwater, N, Martin, J.L. 登録日 2009-11-17 公開日 2010-09-29 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (2.486 Å) 主引用文献 Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem.J., 431, 2010
4ZNU	Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in complex with a 2-Methyl-substituted OBHS derivative 分子名称: 2-methylphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor-interacting peptide 著者 Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. 登録日 2015-05-05 公開日 2016-05-04 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Predictive features of ligand-specific signaling through the estrogen receptor. Mol.Syst.Biol., 12, 2016
4Z1M	Bovine F1-ATPase inhibited by three copies of the inhibitor protein IF1 crystallised in the presence of thiophosphate. 分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha, ... 著者 Bason, J.V, Montgomery, M.G, Leslie, A.G.W, Walker, J.E. 登録日 2015-03-27 公開日 2015-05-06 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3.3 Å) 主引用文献 How release of phosphate from mammalian F1-ATPase generates a rotary substep. Proc.Natl.Acad.Sci.USA, 112, 2015
4ZP5	MAP4K4 in complex with inhibitor 分子名称: 4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]benzamide, Mitogen-activated protein kinase kinase kinase kinase 4 著者 Liu, S. 登録日 2015-05-07 公開日 2016-10-05 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 Structure of MAP4K4 complex To Be Published
3KSY	Crystal structure of the Histone domain, DH-PH unit, and catalytic unit of the Ras activator Son of Sevenless (SOS) 分子名称: Son of sevenless homolog 1 著者 Gureasko, J, Kuchment, O, Kuriyan, J. 登録日 2009-11-24 公開日 2010-02-16 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (3.178 Å) 主引用文献 Role of the histone domain in the autoinhibition and activation of the Ras activator Son of Sevenless. Proc.Natl.Acad.Sci.USA, 107, 2010
1AUK	HUMAN ARYLSULFATASE A 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARYLSULFATASE A, MAGNESIUM ION 著者 Lukatela, G, Krauss, N, Theis, K, Gieselmann, V, Von Figura, K, Saenger, W. 登録日 1997-08-29 公開日 1998-03-04 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Crystal structure of human arylsulfatase A: the aldehyde function and the metal ion at the active site suggest a novel mechanism for sulfate ester hydrolysis. Biochemistry, 37, 1998
3KVJ	Crystal Structure of Human Dihydroorotate Dehydrogenase (DHODH) with Amino-Benzoic Acid Inhibitor 105 at 1.94A Resolution 分子名称: (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 2-[(cyclopropylcarbonyl)amino]-5-[methyl(pyridin-3-ylmethyl)amino]benzoic acid, ACETATE ION, ... 著者 McLean, L, Zhang, Y. 登録日 2009-11-30 公開日 2010-03-02 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.94 Å) 主引用文献 Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures. Bioorg.Med.Chem.Lett., 20, 2010
5VDW	Human cyclic GMP-AMP synthase (cGAS) in complex with Compound F1 分子名称: Cyclic GMP-AMP synthase, ZINC ION, [2-(1,3-thiazol-4-yl)-1H-benzimidazol-1-yl]acetic acid 著者 Byrnes, L.J, Hall, J.D. 登録日 2017-04-03 公開日 2017-09-27 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.711 Å) 主引用文献 The catalytic mechanism of cyclic GMP-AMP synthase (cGAS) and implications for innate immunity and inhibition. Protein Sci., 26, 2017

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