PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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3QB8	Paramecium Chlorella Bursaria Virus1 Putative ORF A654L is a Polyamine Acetyltransferase 分子名称: A654L protein, COENZYME A, IMIDAZOLE 著者 Charlop-Powers, Z, Zhou, M.-M, Jakoncic, J, Gurnon, J, Van Etten, J. 登録日 2011-01-12 公開日 2012-01-25 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Paramecium bursaria chlorella virus 1 encodes a polyamine acetyltransferase. J. Biol. Chem., 287, 2012
5R89	PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z217038356 in complex with INTERLEUKIN-1 BETA 分子名称: 1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone, Interleukin-1 beta, SULFATE ION 著者 De Nicola, G.F, Nichols, C.E. 登録日 2020-03-03 公開日 2020-04-22 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.65 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
4BQ4	Structural analysis of an exo-beta-agarase 分子名称: 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, B-AGARASE, CALCIUM ION, ... 著者 Pluvinage, B, Hehemann, J.H, Boraston, A.B. 登録日 2013-05-29 公開日 2013-08-14 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Substrate Recognition and Hydrolysis by a Family 50 Exo-Beta-Agarase Aga50D from the Marine Bacterium Saccharophagus Degradans J.Biol.Chem., 288, 2013
3QLR	Candida albicans dihydrofolate reductase complexed with NADPH and 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine (UCP112A) 分子名称: 6-methyl-5-[(3R)-3-(3,4,5-trimethoxyphenyl)pent-1-yn-1-yl]pyrimidine-2,4-diamine, GLYCEROL, GLYCINE, ... 著者 Paulsen, J.L, Bendel, S.D, Anderson, A.C. 登録日 2011-02-03 公開日 2011-07-20 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.149 Å) 主引用文献 Crystal Structures of Candida albicans Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal the Flexibility of Active Site Loop Residues Critical for Ligand Potency and Selectivity. Chem.Biol.Drug Des., 78, 2011
2GIQ	Hepatitis C virus RNA-dependent RNA polymerase NS5B with NNI-2 inhibitor 分子名称: 1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE, RNA-directed RNA polymerase 著者 Harris, S.F. 登録日 2006-03-29 公開日 2007-04-03 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Selection and characterization of replicon variants dually resistant to thumb- and palm-binding nonnucleoside polymerase inhibitors of the hepatitis C virus. J.Virol., 80, 2006
3QKV	Crystal structure of fatty acid amide hydrolase with small molecule compound 分子名称: (6-bromo-1'H,4H-spiro[1,3-benzodioxine-2,4'-piperidin]-1'-yl)methanol, Fatty-acid amide hydrolase 1 著者 Min, X, Walker, N.P.C, Wang, Z. 登録日 2011-02-01 公開日 2011-04-27 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Discovery and molecular basis of potent noncovalent inhibitors of fatty acid amide hydrolase (FAAH). Proc.Natl.Acad.Sci.USA, 108, 2011
3AIS	Crystal structure of a mutant beta-glucosidase in wheat complexed with DIMBOA-Glc 分子名称: (2S)-2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one, Beta-glucosidase, beta-D-glucopyranose 著者 Sue, M, Nakamura, C, Miyamoto, T, Yajima, S. 登録日 2010-05-18 公開日 2011-03-16 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Active-site architecture of benzoxazinone-glucoside beta-D-glucosidases in Triticeae Plant Sci., 180, 2011
5VTW	Crystal structure of the A/Hong Kong/1/1968 (H3N2) influenza virus hemagglutinin G225M/L226T/S228A mutant in complex with 6'-SLN 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, Hemagglutinin HA1 chain, ... 著者 Wu, N.C, Wilson, I.A. 登録日 2017-05-18 公開日 2017-06-28 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Diversity of Functionally Permissive Sequences in the Receptor-Binding Site of Influenza Hemagglutinin. Cell Host Microbe, 21, 2017
7FQH	Crystal Structure of human Legumain in complex with (2S)-N-[(3S)-5-amino-5-oxopent-1-yn-3-yl]-1-[1-[4-(cyclopropylmethoxy)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide 分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Legumain, ... 著者 Ehler, A, Benz, J, Bartels, B, Hewings-David, S, Rudolph, M.G. 登録日 2022-10-05 公開日 2023-10-11 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Crystal Structure of a human Legumain complex To be published
4IMD	Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase trapped with pyruvate covalently bound through a Schiff base to Lys164 分子名称: 1,2-ETHANEDIOL, N-acetylneuraminate lyase, PHOSPHATE ION 著者 Fisher, A.J, Huynh, N. 登録日 2013-01-02 公開日 2013-11-06 最終更新日 2025-03-26 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida. Biochemistry, 52, 2013
3R88	Anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis (complex with inhibitor ACS145) 分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-amino-4,5-dimethoxybenzoic acid, Anthranilate phosphoribosyltransferase, ... 著者 Castell, A, Short, F.L, Lott, J.S. 登録日 2011-03-23 公開日 2012-09-26 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.73 Å) 主引用文献 The Substrate Capture Mechanism of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Provides a Mode for Inhibition. Biochemistry, 52, 2013
1Q2U	Crystal structure of DJ-1/RS and implication on familial Parkinson's disease 分子名称: RNA-binding protein regulatory subunit 著者 Huai, Q, Sun, Y, Wang, H, Chin, L.S, Li, L, Robinson, H, Ke, H. 登録日 2003-07-26 公開日 2003-10-07 最終更新日 2024-02-21 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of DJ-1/RS and implication on familial Parkinson's disease Febs Lett., 549, 2003
3V2K	Crystal structure of ribosome inactivating protein from momordica balsamina complexed with the product of RNA substrate adenosine triphosphate at 2.0 A resolution 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ADENINE, GLYCEROL, ... 著者 Kushwaha, G.S, Pandey, N, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. 登録日 2011-12-12 公開日 2012-01-18 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Crystal structures of a type-1 ribosome inactivating protein from Momordica balsamina in the bound and unbound states. Biochim.Biophys.Acta, 1824, 2012
1UBZ	Crystal structure of Glu102-mutant human lysozyme doubly labeled with 2',3'-epoxypropyl beta-glycoside of N-acetyllactosamine 分子名称: GLYCEROL, Lysozyme C, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose 著者 Muraki, M, Harata, K. 登録日 2003-04-07 公開日 2003-04-22 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 X-ray structural analysis of the ligand-recognition mechanism in the dual-affinity labeling of c-type lysozyme with 2',3'-epoxypropyl beta-glycoside of N-acetyllactosamine J.MOL.RECOG., 16, 2003
3EOB	Crystal structure the Fab fragment of Efalizumab in complex with LFA-1 I domain, Form II 分子名称: Efalizumab Fab fragment, heavy chain, light chain, ... 著者 Li, S, Ding, J. 登録日 2008-09-26 公開日 2009-04-14 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (3.6 Å) 主引用文献 Efalizumab binding to the LFA-1 alphaL I domain blocks ICAM-1 binding via steric hindrance. Proc.Natl.Acad.Sci.USA, 106, 2009
3OE8	Crystal structure of the CXCR4 chemokine receptor in complex with a small molecule antagonist IT1t in P1 spacegroup 分子名称: (6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)methyl N,N'-dicyclohexylimidothiocarbamate, C-X-C chemokine receptor type 4, Lysozyme Chimera 著者 Wu, B, Mol, C.D, Han, G.W, Katritch, V, Chien, E.Y.T, Liu, W, Cherezov, V, Stevens, R.C, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), GPCR Network (GPCR) 登録日 2010-08-12 公開日 2010-10-27 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Structures of the CXCR4 chemokine GPCR with small-molecule and cyclic peptide antagonists. Science, 330, 2010
1GFI	STRUCTURES OF ACTIVE CONFORMATIONS OF GI ALPHA 1 AND THE MECHANISM OF GTP HYDROLYSIS 分子名称: GUANINE NUCLEOTIDE-BINDING PROTEIN G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Coleman, D.E, Berghuis, A.M, Sprang, S.R. 登録日 1994-11-11 公開日 1995-03-31 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structures of active conformations of Gi alpha 1 and the mechanism of GTP hydrolysis. Science, 265, 1994
1GJF	Peptide Antagonist of IGFBP1, (i,i+7) Covalently Restrained Analog, Minimized Average Structure 分子名称: IGFBP-1 antagonist, PENTANE 著者 Skelton, N.J, Chen, Y.M, Dubree, N, Quan, C, Jackson, D.Y, Cochran, A.G, Zobel, K, Deshayes, K, Baca, M, Pisabarro, M.T, Lowman, H.B. 登録日 2001-05-11 公開日 2001-05-30 最終更新日 2024-11-06 実験手法 SOLUTION NMR 主引用文献 Structure-function analysis of a phage display-derived peptide that binds to insulin-like growth factor binding protein 1. Biochemistry, 40, 2001
4OFD	Crystal Structure of mouse Neph1 D1-D2 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Kin of IRRE-like protein 1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose 著者 Ozkan, E, Garcia, K.C. 登録日 2014-01-14 公開日 2014-02-19 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (3.94 Å) 主引用文献 Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis. Cell(Cambridge,Mass.), 156, 2014
3OKU	Human Carbonic Anhydrase II in complex with 2-Ethylestrone-3-O-sulfamate 分子名称: (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. 登録日 2010-08-25 公開日 2011-07-06 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
3OIM	Human Carbonic anhydrase II bound by 2-Ethylestradiol 3-O-sulfamate 分子名称: (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... 著者 Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. 登録日 2010-08-19 公開日 2011-07-06 最終更新日 2023-09-06 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds LETT.DRUG DES.DISCOVERY, 8, 2011
4OI9	Crystal Structure of ICAM-5 D1-D4 ectodomain fragment, Space Group P21 分子名称: 1,2-ETHANEDIOL, 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 Recacha, R, Jimenez, D, Tian, L, Barredo, R, Ghamberg, C, Casasnovas, J.M. 登録日 2014-01-19 公開日 2014-07-16 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Crystal structures of an ICAM-5 ectodomain fragment show electrostatic-based homophilic adhesions. Acta Crystallogr.,Sect.D, 70, 2014
1ZZL	Crystal structure of P38 with triazolopyridine 分子名称: 6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE, Mitogen-activated protein kinase 14 著者 McClure, K.F, Han, S. 登録日 2005-06-14 公開日 2005-09-13 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Theoretical and Experimental Design of Atypical Kinase Inhibitors: Application to p38 MAP Kinase. J.Med.Chem., 48, 2005
3OLF	Crystal structure of human FXR in complex with 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid 分子名称: 4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3-methylbenzoic acid, Bile acid receptor, peptide of Nuclear receptor coactivator 1 著者 Rudolph, M.G. 登録日 2010-08-26 公開日 2011-01-19 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties Bioorg.Med.Chem.Lett., 21, 2011
1FXJ	CRYSTAL STRUCTURE OF N-ACETYLGLUCOSAMINE 1-PHOSPHATE URIDYLTRANSFERASE 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE 著者 Brown, K, Pompeo, F, Dixon, S, Mengin-Lecreulx, D, Cambillau, C, Bourne, Y. 登録日 2000-09-26 公開日 2000-10-18 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Crystal structure of the bifunctional N-acetylglucosamine 1-phosphate uridyltransferase from Escherichia coli: a paradigm for the related pyrophosphorylase superfamily. EMBO J., 18, 1999

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