1RCO
 
 | | SPINACH RUBISCO IN COMPLEX WITH THE INHIBITOR D-XYLULOSE-2,2-DIOL-1,5-BISPHOSPHATE | | 分子名称: | D-XYLULOSE-2,2-DIOL-1,5-BISPHOSPHATE, RIBULOSE BISPHOSPHATE CARBOXYLASE/OXYGENASE | | 著者 | Taylor, T.C, Andersson, I. | | 登録日 | 1996-10-31 | | 公開日 | 1997-03-12 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A common structural basis for the inhibition of ribulose 1,5-bisphosphate carboxylase by 4-carboxyarabinitol 1,5-bisphosphate and xylulose 1,5-bisphosphate.
J.Biol.Chem., 271, 1996
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3MBC
 | | Crystal structure of monomeric isocitrate dehydrogenase from Corynebacterium glutamicum in complex with NADP | | 分子名称: | Isocitrate dehydrogenase [NADP], MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Sidhu, N.S, Aich, S, Sheldrick, G.M, Delbaere, L.T.J. | | 登録日 | 2010-03-25 | | 公開日 | 2011-04-06 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of a highly NADP+-specific isocitrate dehydrogenase.
Acta Crystallogr.,Sect.D, 67, 2011
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4BDA
 | | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | | 分子名称: | 1,2-ETHANEDIOL, 3,4-dihydro[1,2,4]triazolo[1,5-a][3,1]benzimidazol-9-ium, CHLORIDE ION, ... | | 著者 | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | | 登録日 | 2012-10-05 | | 公開日 | 2013-06-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
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3MDR
 | | Tranylcypromine complex of Cytochrome P450 46A1 | | 分子名称: | (1R,2S)-2-phenylcyclopropanamine, Cholesterol 24-hydroxylase, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Mast, N, Charvet, C, Pikuleva, I, Stout, C.D. | | 登録日 | 2010-03-30 | | 公開日 | 2010-07-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Structural basis of drug binding to CYP46A1, an enzyme that controls cholesterol turnover in the brain.
J.Biol.Chem., 285, 2010
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4BDK
 | | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | | 分子名称: | 1,2-ETHANEDIOL, CHECKPOINT KINASE 2, N-[(4-methoxyphenyl)methyl]quinoxaline-6-carboxamide, ... | | 著者 | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | | 登録日 | 2012-10-05 | | 公開日 | 2013-06-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
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3MEH
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS I92A at cryogenic temperature | | 分子名称: | CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease | | 著者 | Caro, J.A, Schlessman, J.L, Garcia-Moreno, E.B, Heroux, A. | | 登録日 | 2010-03-31 | | 公開日 | 2011-03-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1RN1
 | | THREE-DIMENSIONAL STRUCTURE OF GLN 25-RIBONUCLEASE T1 AT 1.84 ANGSTROMS RESOLUTION: STRUCTURAL VARIATIONS AT THE BASE RECOGNITION AND CATALYTIC SITES | | 分子名称: | RIBONUCLEASE T1 ISOZYME, SULFATE ION | | 著者 | Arni, R.K, Pal, G.P, Ravichandran, K.G, Tulinsky, A, Walz Junior, F.G, Metcalf, P. | | 登録日 | 1991-11-22 | | 公開日 | 1994-01-31 | | 最終更新日 | 2019-08-14 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Three-dimensional structure of Gln25-ribonuclease T1 at 1.84-A resolution: structural variations at the base recognition and catalytic sites.
Biochemistry, 31, 1992
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3N2M
 | | Crystal structure of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-amino-5-fluorouridine 5'-(dihydrogen phosphate), ... | | 著者 | Liu, Y, Kotra, L.P, Pai, E.F. | | 登録日 | 2010-05-18 | | 公開日 | 2011-04-06 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP
To be Published
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3M9B
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4B00
 | | Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND (R)-41) | | 分子名称: | 5-{(1R)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1H)-one, ACETATE ION, BETA-SECRETASE 1 | | 著者 | Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J. | | 登録日 | 2012-06-27 | | 公開日 | 2012-10-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
J. Med. Chem., 55, 2012
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3MBV
 | | Structure of bacterirhodopsin crystallized in betta-XylOC(16+4) meso phase | | 分子名称: | (3R,7R,11R)-3,7,11,15-tetramethylhexadecyl alpha-D-ribopyranoside, Bacteriorhodopsin, RETINAL | | 著者 | Borshchevskiy, V, Moiseeva, E, Kuklin, A, Bueldt, G, Hato, M, Gordeliy, V. | | 登録日 | 2010-03-26 | | 公開日 | 2010-11-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Isoprenoid-chained lipid beta-XylOC16+4 A novel molecule for in meso membrane protein crystallization
J.Cryst.Growth, 312, 2010
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3N34
 | | Crystal structure of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP, produced from 5-fluoro-6-azido-UMP | | 分子名称: | 1,2-ETHANEDIOL, 6-amino-5-fluorouridine 5'-(dihydrogen phosphate), DI(HYDROXYETHYL)ETHER, ... | | 著者 | Liu, Y, Kotra, L.P, Pai, E.F. | | 登録日 | 2010-05-19 | | 公開日 | 2011-04-06 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Crystal structure of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase complexed with 5-fluoro-6-amino-UMP, produced from 5-fluoro-6-azido-UMP
To be Published
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3MGC
 | | Teg12 Apo | | 分子名称: | GLYCEROL, IMIDAZOLE, N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1-METHYL ESTER, ... | | 著者 | Bick, M.J, Banik, J.J, Darst, S.A, Brady, S.F. | | 登録日 | 2010-04-05 | | 公開日 | 2010-06-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.91 Å) | | 主引用文献 | Crystal structures of the glycopeptide sulfotransferase Teg12 in a complex with the teicoplanin aglycone.
Biochemistry, 49, 2010
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1RJX
 | | Human PLASMINOGEN CATALYTIC DOMAIN, K698M MUTANT | | 分子名称: | Plasminogen, SULFATE ION | | 著者 | Terzyan, S, Wakeham, N, Zhai, P, Rodgers, K, Zhang, X.C. | | 登録日 | 2003-11-20 | | 公開日 | 2003-12-02 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Characterization of Lys-698 to met substitution in human plasminogen catalytic domain
Proteins, 56, 2004
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5LM4
 | | Structure of the thermostalilized EAAT1 cryst-II mutant in complex with L-ASP and the allosteric inhibitor UCPH101 | | 分子名称: | 2-Amino-5,6,7,8-tetrahydro-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-4H-chromene-3-carbonitrile, ASPARTIC ACID, Excitatory amino acid transporter 1,Neutral amino acid transporter B(0),Excitatory amino acid transporter 1, ... | | 著者 | Canul-Tec, J, Assal, R, Legrand, P, Reyes, N. | | 登録日 | 2016-07-29 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure and allosteric inhibition of excitatory amino acid transporter 1.
Nature, 544, 2017
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3MC5
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3N59
 | | Type II dehydroquinase from Mycobacterium Tuberculosis complexed with 3-dehydroshikimate | | 分子名称: | (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION | | 著者 | Snee, W.C, Palaninathan, S.K, Sacchettini, J.C, Dias, M.V.B, Bromfield, K.M, Payne, R, Ciulli, A, Howard, N.I, Abell, C, Blundell, T.L, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2010-05-24 | | 公開日 | 2010-07-21 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis.
Biochem.J., 436, 2011
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3MCF
 | | Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 3-alpha | | 分子名称: | CITRATE ANION, Diphosphoinositol polyphosphate phosphohydrolase 3-alpha, GLYCEROL | | 著者 | Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kol, S, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, van der Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC) | | 登録日 | 2010-03-29 | | 公開日 | 2010-04-07 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 3-alpha
To be Published
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4BKR
 | | Enoyl-ACP reductase from Yersinia pestis (wildtype, removed Histag) with cofactor NADH | | 分子名称: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Hirschbeck, M.W, Neckles, C, Tonge, P.J, Kisker, C. | | 登録日 | 2013-04-29 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | | 主引用文献 | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia Pestis Fabv Enoyl-Acp Reductase.
Biochemistry, 55, 2016
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1RU5
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4BDG
 | | Fragment-based screening identifies a new area for inhibitor binding to checkpoint kinase 2 (CHK2) | | 分子名称: | 1,2-ETHANEDIOL, 3-(PYRIDIN-3-YL)-1H-PYRAZOL-5-AMINE, CHLORIDE ION, ... | | 著者 | Silva-Santisteban, M.C, Westwood, I.M, Boxall, K, Brown, N, Peacock, S, McAndrew, C, Barrie, E, Richards, M, Mirza, A, Oliver, A.W, Burke, R, Hoelder, S, Jones, K, Aherne, G.W, Blagg, J, Collins, I, Garrett, M.D, van Montfort, R.L.M. | | 登録日 | 2012-10-05 | | 公開日 | 2013-06-26 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.84 Å) | | 主引用文献 | Fragment-Based Screening Maps Inhibitor Interactions in the ATP-Binding Site of Checkpoint Kinase 2.
Plos One, 8, 2013
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5M2B
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1R1N
 | | Tri-nuclear oxo-iron clusters in the ferric binding protein from N. gonorrhoeae | | 分子名称: | Ferric-iron Binding Protein, OXO-IRON CLUSTER 1, OXO-IRON CLUSTER 2, ... | | 著者 | Zhu, H, Alexeev, D, Hunter, D.J, Campopiano, D.J, Sadler, P.J. | | 登録日 | 2003-09-24 | | 公開日 | 2004-03-09 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Oxo-iron clusters in a bacterial iron-trafficking protein: new roles for a conserved motif.
Biochem.J., 376, 2003
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3MLH
 | | Crystal structure of the 2009 H1N1 influenza virus hemagglutinin receptor-binding domain | | 分子名称: | GLYCEROL, Hemagglutinin | | 著者 | DuBois, R.M, Aguilar-Yanez, J.M, Mendoza-Ochoa, G.I, Schultz-Cherry, S, Alvarez, M.M, White, S.W, Russell, C.J. | | 登録日 | 2010-04-16 | | 公開日 | 2010-12-01 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | The Receptor-Binding Domain of Influenza Virus Hemagglutinin Produced in Escherichia coli Folds into Its Native, Immunogenic Structure.
J.Virol., 85, 2011
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4GM4
 | | Crystal Structure of Benzoylformate Decarboxylase Mutant L403I | | 分子名称: | 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Benzoylformate decarboxylase, CALCIUM ION, ... | | 著者 | Novak, W.R.P, Andrews, F.H, Tom, A.R, Gunderman, P.R, McLeish, M.J. | | 登録日 | 2012-08-15 | | 公開日 | 2013-05-22 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | | 主引用文献 | A bulky hydrophobic residue is not required to maintain the v-conformation of enzyme-bound thiamin diphosphate.
Biochemistry, 52, 2013
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