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1RDY
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T-STATE STRUCTURE OF THE ARG 243 TO ALA MUTANT OF PIG KIDNEY FRUCTOSE 1,6-BISPHOSPHATASE EXPRESSED IN E. COLI
分子名称: 6-O-phosphono-beta-D-fructofuranose, ADENOSINE MONOPHOSPHATE, FRUCTOSE 1,6-BISPHOSPHATASE
著者Stec, B, Abraham, R, Giroux, E, Kantrowitz, E.R.
登録日1996-05-17
公開日1997-01-11
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of the active site mutant (Arg-243-->Ala) in the T and R allosteric states of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia coli.
Protein Sci., 5, 1996
4IDK
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HIV-1 reverse transcriptase with bound fragment at the 428 site
分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Bauman, J.D, Patel, D, Arnold, E.
登録日2012-12-12
公開日2013-02-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Detecting Allosteric Sites of HIV-1 Reverse Transcriptase by X-ray Crystallographic Fragment Screening.
J.Med.Chem., 56, 2013
1IWP
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Glycerol Dehydratase-cyanocobalamin Complex of Klebsiella pneumoniae
分子名称: COBALAMIN, Glycerol Dehydratase Alpha subunit, Glycerol Dehydratase Beta subunit, ...
著者Yamanishi, M, Yunoki, M, Tobimatsu, T, Toraya, T.
登録日2002-05-28
公開日2002-10-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structure of coenzyme B12-dependent glycerol dehydratase in complex with cobalamin and propane-1,2-diol.
Eur.J.Biochem., 269, 2002
3RTH
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Structure of Bace-1 (Beta-Secretase) in Complex with 6-(2-(3,3-Dimethylbut-1-ynyl)phenyl)quinolin-2-amine
分子名称: 6-[2-(3,3-dimethylbut-1-yn-1-yl)phenyl]quinolin-2-amine, Beta-secretase 1, IODIDE ION
著者Sickmier, E.A.
登録日2011-05-03
公開日2011-08-31
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献From Fragment Screening to In Vivo Efficacy: Optimization of a Series of 2-Aminoquinolines as Potent Inhibitors of Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1).
J.Med.Chem., 54, 2011
3UIX
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BU of 3uix by Molmil
Crystal structure of Pim1 kinase in complex with small molecule inhibitor
分子名称: 2-{4-[(3-aminopropyl)amino]quinazolin-2-yl}phenol, CALCIUM ION, CHLORIDE ION, ...
著者Parker, L.J.
登録日2011-11-06
公開日2012-04-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A novel pim-1 kinase inhibitor targeting residues that bind the substrate Peptide.
J.Mol.Biol., 417, 2012
2A2R
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BU of 2a2r by Molmil
Crystal Structure of Glutathione Transferase Pi in complex with S-nitrosoglutathione
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE, CALCIUM ION, ...
著者Parker, L.J, Morton, C.J, Adams, J.J, Parker, M.W.
登録日2005-06-23
公開日2006-06-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Calorimetric and structural studies of the nitric oxide carrier S-nitrosoglutathione bound to human glutathione transferase P1-1
Protein Sci., 15, 2006
3VIG
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BU of 3vig by Molmil
Crystal structure of beta-glucosidase from termite Neotermes koshunensis in complex with 1-deoxynojirimycin
分子名称: 1-DEOXYNOJIRIMYCIN, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-glucosidase, ...
著者Jeng, W.Y, Liu, C.I, Wang, A.H.J.
登録日2011-10-03
公開日2012-07-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献High-resolution structures of Neotermes koshunensis beta-glucosidase mutants provide insights into the catalytic mechanism and the synthesis of glucoconjugates
Acta Crystallogr.,Sect.D, 68, 2012
1ENV
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BU of 1env by Molmil
ATOMIC STRUCTURE OF THE ECTODOMAIN FROM HIV-1 GP41
分子名称: HIV-1 ENVELOPE PROTEIN CHIMERA CONSISTING OF A FRAGMENT OF GCN4 ZIPPER CLONED N-TERMINAL TO TWO FRAGMENTS OF GP41
著者Weissenhorn, W, Dessen, A, Harrison, S.C, Skehel, J.J, Wiley, D.C.
登録日1997-06-27
公開日1997-11-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Atomic structure of the ectodomain from HIV-1 gp41.
Nature, 387, 1997
1IJU
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HUMAN BETA-DEFENSIN-1
分子名称: BETA-DEFENSIN 1, GLYCEROL, SULFATE ION
著者Hoover, D.M, Lubkowski, J.
登録日2001-04-30
公開日2001-10-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The structure of human beta-defensin-1: new insights into structural properties of beta-defensins.
J.Biol.Chem., 276, 2001
2A2M
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CRYSTAL STRUCTURE OF a putativeTenA family transcriptional regulator (BT_3146) FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 AT 1.88 A RESOLUTION
分子名称: 1,2-ETHANEDIOL, ACETATE ION, hypothetical protein BT3146
著者Joint Center for Structural Genomics (JCSG)
登録日2005-06-22
公開日2005-08-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structure of (np_812058.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 1.88 A resolution
To be published
1EC1
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BU of 1ec1 by Molmil
HIV-1 protease in complex with the inhibitor BEA409
分子名称: HIV-1 PROTEASE, N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE]
著者Unge, T.
登録日2000-01-25
公開日2002-06-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Optimization of P1-P3 groups in symmetric and asymmetric HIV-1 protease inhibitors
Eur.J.Biochem., 270, 2003
1EBK
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Structural and kinetic analysis of drug resistant mutants of HIV-1 protease
分子名称: HIV-1 PROTEASE, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide
著者Mahalingam, B, Louis, J.M, Reed, C.C, Adomat, J.M, Krouse, J, Wang, Y.F, Harrison, R.W, Weber, I.T.
登録日2000-01-24
公開日2000-07-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Structural and kinetic analysis of drug resistant mutants of HIV-1 protease.
Eur.J.Biochem., 263, 1999
4KRS
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Tankyrase-1 complexed with small molecule inhibitor
分子名称: 4-tert-butyl-N-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide, SULFATE ION, Tankyrase-1, ...
著者Stams, T, Kirby, C.
登録日2013-05-17
公開日2013-08-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Structure-Efficiency Relationship of [1,2,4]Triazol-3-ylamines as Novel Nicotinamide Isosteres that Inhibit Tankyrases.
J.Med.Chem., 56, 2013
2F71
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Protein tyrosine phosphatase 1B with sulfamic acid inhibitors
分子名称: 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-3-OXO-PROPYL]-BENZOIC ACID, CHLORIDE ION, MAGNESIUM ION, ...
著者Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R.
登録日2005-11-29
公開日2005-12-13
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
2FGI
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CRYSTAL STRUCTURE OF THE TYROSINE KINASE DOMAIN OF FGF RECEPTOR 1 IN COMPLEX WITH INHIBITOR PD173074
分子名称: 1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA, PROTEIN (FIBROBLAST GROWTH FACTOR (FGF) RECEPTOR 1)
著者Mohammadi, M, Froum, S, Hamby, J.M, Schroeder, M, Panek, R.L, Lu, G.H, Eliseenkova, A.V, Green, D, Schlessinger, J, Hubbard, S.R.
登録日1998-09-15
公開日1999-09-13
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of an angiogenesis inhibitor bound to the FGF receptor tyrosine kinase domain.
EMBO J., 17, 1998
1EH5
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BU of 1eh5 by Molmil
CRYSTAL STRUCTURE OF PALMITOYL PROTEIN THIOESTERASE 1 COMPLEXED WITH PALMITATE
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, PALMITIC ACID, ...
著者Bellizzi III, J.J, Widom, J, Kemp, C, Lu, J.Y, Das, A.K, Hofmann, S.L, Clardy, J.
登録日2000-02-18
公開日2000-04-26
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structure of palmitoyl protein thioesterase 1 and the molecular basis of infantile neuronal ceroid lipofuscinosis.
Proc.Natl.Acad.Sci.USA, 97, 2000
1JLQ
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CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 739W94
分子名称: 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE, HIV-1 RT, A-CHAIN, ...
著者Ren, J, Stuart, D.I, Stammers, D.K.
登録日2001-07-16
公開日2001-08-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1.
J.Med.Chem., 44, 2001
1SPI
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CRYSTAL STRUCTURE OF SPINACH CHLOROPLAST FRUCTOSE-1,6-BISPHOSPHATASE AT 2.8 ANGSTROMS RESOLUTION
分子名称: FRUCTOSE 1,6-BISPHOSPHATASE
著者Villeret, V, Huang, S, Zhang, Y, Xue, Y, Lipscomb, W.N.
登録日1994-12-14
公開日1995-02-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of spinach chloroplast fructose-1,6-bisphosphatase at 2.8 A resolution.
Biochemistry, 34, 1995
2GFT
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Crystal structure of the E263A nucleophile mutant of Bacillus licheniformis endo-beta-1,4-galactanase in complex with galactotriose
分子名称: CALCIUM ION, Glycosyl Hydrolase Family 53, beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose
著者Welner, D, Le Nours, J, De Maria, L, Jorgensen, C.T, Christensen, L.L.H, Larsen, S, Lo Leggio, L.
登録日2006-03-23
公開日2006-06-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Oligosaccharide binding of Bacillus licheniformis endo-beta-1,4-galactanase
To be Published
2YI5
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Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors.
分子名称: 4-CHLORO-6-[5-(3,4-DIMETHOXYPHENYL)-1,2,3-THIADIAZOL-4-YL]BENZENE-1,3-DIOL, HEAT SHOCK PROTEIN HSP 90-ALPHA
著者Roe, S.M, Prodromou, C, Pearl, L.H.
登録日2011-05-10
公開日2012-05-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Co-Crystalization and in Vitro Biological Characterization of 5-Aryl-4-(5-Substituted-2-4-Dihydroxyphenyl)-1,2,3-Thiadiazole Hsp90 Inhibitors.
Plos One, 7, 2012
1B0S
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BINDING OF AR-1-144, A TRI-IMIDAZOLE DNA MINOR GROOVE BINDER, TO CCGG SEQUENCE ANALYZED BY NMR SPECTROSCOPY
分子名称: (2-{[4-({4-[(4-FORMYLAMINO-1-METHYL-1H-IMIDAZOLE-2-CARBONYL)-AMINO]-1-METHYL-1H-IMIDAZOLE-2-CARBONYL}-AMINO)-1-METHYL-1 H-IMIDAZOLE-2-CARBONYL]-AMINO}-ETHYL)-DIMETHYL-AMMONIUM, DNA (5'-D(*GP*AP*AP*CP*CP*GP*GP*TP*TP*C)-3')
著者Yang, X.-L, Kaenzig, C, Lee, M, Wang, A.H.-J.
登録日1998-11-12
公開日1999-08-31
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Binding of AR-1-144, a tri-imidazole DNA minor groove binder, to CCGG sequence analyzed by NMR spectroscopy.
Eur.J.Biochem., 263, 1999
4HPG
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Crystal structure of a glycosylated beta-1,3-glucanase (HEV B 2), an allergen from Hevea brasiliensis
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-1,3-glucanase, DI(HYDROXYETHYL)ETHER, ...
著者Rodriguez-Romero, A, Hernandez-Santoyo, A.
登録日2012-10-23
公開日2013-11-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.5364 Å)
主引用文献Structural analysis of the endogenous glycoallergen Hev b 2 (endo-beta-1,3-glucanase) from Hevea brasiliensis and its recognition by human basophils.
Acta Crystallogr.,Sect.D, 70, 2014
1JLC
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CRYSTAL STRUCTURE OF Y181C MUTANT HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH PETT-2
分子名称: HIV-1 RT A-chain, HIV-1 RT B-chain, N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA
著者Ren, J, Nichols, C, Bird, L, Chamberlain, P, Weaver, K, Short, S, Stuart, D.I, Stammers, D.K.
登録日2001-07-16
公開日2001-10-03
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural mechanisms of drug resistance for mutations at codons 181 and 188 in HIV-1 reverse transcriptase and the improved resilience of second generation non-nucleoside inhibitors.
J.Mol.Biol., 312, 2001
1PGT
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CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH S-HEXYLGLUTATHIONE
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE
著者Ji, X.
登録日1997-02-17
公開日1997-09-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and function of the xenobiotic substrate-binding site and location of a potential non-substrate-binding site in a class pi glutathione S-transferase.
Biochemistry, 36, 1997
2GT9
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Human Class I MHC HLA-A2 in complex with the decameric Melan-A/MART-1(26-35) peptide
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Borbulevych, O.Y, Baker, B.M.
登録日2006-04-27
公開日2007-06-12
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structures of MART-1(26/27-35) Peptide/HLA-A2 Complexes Reveal a Remarkable Disconnect between Antigen Structural Homology and T Cell Recognition
J.Mol.Biol., 372, 2007

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