2GD4
 
 | | Crystal Structure of the Antithrombin-S195A Factor Xa-Pentasaccharide Complex | | 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, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside, ... | | 著者 | Johnson, D.J, Li, W, Adams, T.E, Huntington, J.A. | | 登録日 | 2006-03-15 | | 公開日 | 2006-05-09 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Antithrombin-S195A factor Xa-heparin structure reveals the allosteric mechanism of antithrombin activation.
Embo J., 25, 2006
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3MHB
 | | Crystal structure of Staphylococcal nuclease variant Delta+PHS L38A 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 | 2010-04-07 | | 公開日 | 2011-03-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Cavities determine the pressure unfolding of proteins.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3QJQ
 | | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | | 分子名称: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | | 著者 | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | | 登録日 | 2011-01-30 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Biochim.Biophys.Acta, 1817, 2012
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3QJU
 | | The structure of and photolytic induced changes of carbon monoxide binding to the cytochrome ba3-oxidase from Thermus thermophilus | | 分子名称: | CARBON MONOXIDE, COPPER (I) ION, Cytochrome c oxidase polypeptide 2A, ... | | 著者 | Liu, B, Zhang, Y, Sage, J.T, Doukov, T, Chen, Y, Stout, C.D, Fee, J.A. | | 登録日 | 2011-01-30 | | 公開日 | 2012-01-25 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structural changes that occur upon photolysis of the Fe(II)(a3)-CO complex in the cytochrome ba(3)-oxidase of Thermus thermophilus: A combined X-ray crystallographic and infrared spectral study demonstrates CO binding to Cu(B).
Biochim.Biophys.Acta, 1817, 2012
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2Q1L
 | | Design and Synthesis of Pyrrole-based, Hepatoselective HMG-CoA Reductase Inhibitors | | 分子名称: | (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, 3-hydroxy-3-methylglutaryl-coenzyme A reductase | | 著者 | Pavlovsky, A, Pfefferkorn, J.A, Harris, M.S, Finzel, B.C. | | 登録日 | 2007-05-24 | | 公開日 | 2007-07-17 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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3FFS
 | | The Crystal Structure of Cryptosporidium parvum Inosine-5'-Monophosphate Dehydrogenase | | 分子名称: | Inosine-5-monophosphate dehydrogenase | | 著者 | Riera, T.V, D'Aquino, J.A, Lu, J, Petsko, G.A, Hedstrom, L. | | 登録日 | 2008-12-04 | | 公開日 | 2009-12-15 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.19 Å) | | 主引用文献 | The structural basis of Cryptosporidium -specific IMP dehydrogenase inhibitor selectivity
J.Am.Chem.Soc., 132, 2010
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2PP1
 | | Crystal structure of L-talarate/galactarate dehydratase from Salmonella typhimurium LT2 liganded with Mg and L-lyxarohydroxamate | | 分子名称: | (2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID, L-talarate/galactarate dehydratase, MAGNESIUM ION | | 著者 | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C. | | 登録日 | 2007-04-27 | | 公開日 | 2007-08-07 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Evolution of enzymatic activities in the enolase superfamily: L-talarate/galactarate dehydratase from Salmonella typhimurium LT2.
Biochemistry, 46, 2007
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2G9X
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3FW1
 | | Quinone Reductase 2 | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Winger, J.A, Hantschel, O, Superti-Furga, G, Kuriyan, J. | | 登録日 | 2009-01-16 | | 公開日 | 2009-03-10 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | The structure of the leukemia drug imatinib bound to human quinone reductase 2 (NQO2).
Bmc Struct.Biol., 9, 2009
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2GGE
 | | Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme from Bacillus Subtilis complexed with MG++ at 1.8 A | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, yitF | | 著者 | Malashkevich, V.N, Sauder, J.M, Schwinn, K.D, Emtage, S, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Burley, S.K, Sali, A, Babbitt, P, Pieper, U, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2006-03-23 | | 公開日 | 2006-04-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Crystal Structure of Mandelate Racemase/Muconate Lactonizing Enzyme from Bacillus Subtilis complexed with MG++ at 1.8 A
To be Published
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2G5Z
 | | Structure of S65G Y66S GFP variant after spontaneous peptide hydrolysis and decarboxylation | | 分子名称: | Green fluorescent protein, MAGNESIUM ION | | 著者 | Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | 登録日 | 2006-02-23 | | 公開日 | 2006-04-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Understanding GFP Posttranslational Chemistry: Structures of Designed Variants that Achieve Backbone Fragmentation, Hydrolysis, and Decarboxylation.
J.Am.Chem.Soc., 128, 2006
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2PUR
 | | Structure of dihydrodipicolinate synthase mutant Thr44Ser at 1.7 A. | | 分子名称: | Dihydrodipicolinate synthase, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Dobson, R.C.J, Jameson, G.B, Gerrard, J.A. | | 登録日 | 2007-05-09 | | 公開日 | 2008-05-27 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Specificity versus catalytic potency: The role of threonine 44 in Escherichia coli dihydrodipicolinate synthase mediated catalysis.
Biochimie, 91, 2009
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8EXL
 | | Crystal structure of PI3K-alpha in complex with taselisib | | 分子名称: | 2-methyl-2-(4-{2-[3-methyl-1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-1H-pyrazol-1-yl)propanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | 著者 | Kiefer, J.R, Eigenbrot, C, Staben, S.T, Hanan, E.J, Wallweber, H.J.A, Ultsch, M, Braun, M.G, Friedman, L.S, Purkey, H.E. | | 登録日 | 2022-10-25 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.989 Å) | | 主引用文献 | Discovery of GDC-0077 (Inavolisib), a Highly Selective Inhibitor and Degrader of Mutant PI3K alpha.
J.Med.Chem., 65, 2022
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3G0G
 | | Crystal structure of dipeptidyl peptidase IV in complex with a pyrimidinone inhibitor 3 | | 分子名称: | 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile, 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 | Zhang, Z, Wallace, M.B, Feng, J, Stafford, J.A, Kaldor, S.W, Shi, L, Skene, R.J, Aertgeerts, K, Lee, B, Jennings, A, Xu, R, Kassel, D, Webb, D.R, Gwaltney, S.L. | | 登録日 | 2009-01-27 | | 公開日 | 2010-02-16 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Design and Synthesis of Pyrimidinone and Pyrimidinedione Inhibitors of Dipeptidyl Peptidase IV.
J.Med.Chem., 54, 2011
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6E1A
 | | Menin bound to M-89 | | 分子名称: | (1S,2R)-2-[(4S)-2-methyl-4-{1-[(1-{4-[(pyridin-4-yl)sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}-1,2,3,4-tetrahydroisoquinolin-4-yl]cyclopentyl methylcarbamate, Menin, praseodymium triacetate | | 著者 | Stuckey, J.A. | | 登録日 | 2018-07-09 | | 公開日 | 2019-07-10 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure-Based Discovery of M-89 as a Highly Potent Inhibitor of the Menin-Mixed Lineage Leukemia (Menin-MLL) Protein-Protein Interaction.
J.Med.Chem., 62, 2019
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1FKK
 | | ATOMIC STRUCTURE OF FKBP12, AN IMMUNOPHILIN BINDING PROTEIN | | 分子名称: | FK506 BINDING PROTEIN, SULFATE ION | | 著者 | Wilson, K.P, Sintchak, M.D, Thomson, J.A, Navia, M.A. | | 登録日 | 1995-08-18 | | 公開日 | 1995-12-07 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Comparative X-ray structures of the major binding protein for the immunosuppressant FK506 (tacrolimus) in unliganded form and in complex with FK506 and rapamycin.
Acta Crystallogr.,Sect.D, 51, 1995
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3FXG
 | | Crystal structure of rhamnonate dehydratase from Gibberella zeae complexed with Mg | | 分子名称: | MAGNESIUM ION, Rhamnonate dehydratase | | 著者 | Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2009-01-20 | | 公開日 | 2009-02-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of rhamnonate dehydratase from Gibberella zeae complexed with Mg
To be Published
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2G8G
 | | Structurally mapping the diverse phenotype of Adeno-Associated Virus serotype 4 | | 分子名称: | 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, Capsid | | 著者 | Govindasamy, L, Padron, E, McKenna, R, Muzyczka, N, Chiorini, J.A, Agbandje-McKenna, M. | | 登録日 | 2006-03-02 | | 公開日 | 2007-01-02 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Structurally mapping the diverse phenotype of adeno-associated virus serotype 4.
J.Virol., 80, 2006
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3G1A
 | | Crystal structure of orotidine 5'-monophosphate decarboxylase from Methanobacterium thermoautotrophicum complexed with 6-azauridine 5'-monophosphate | | 分子名称: | 6-AZA URIDINE 5'-MONOPHOSPHATE, Orotidine 5'-phosphate decarboxylase | | 著者 | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | | 登録日 | 2009-01-29 | | 公開日 | 2009-06-23 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Mechanism of the orotidine 5'-monophosphate decarboxylase-catalyzed reaction: evidence for substrate destabilization.
Biochemistry, 48, 2009
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3G33
 | | Crystal structure of CDK4/cyclin D3 | | 分子名称: | CCND3 protein, Cell division protein kinase 4 | | 著者 | Takaki, T, Echalier, A, Brown, N.R, Hunt, T, Endicott, J.A, Noble, M.E.M. | | 登録日 | 2009-02-01 | | 公開日 | 2009-03-10 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | The structure of CDK4/cyclin D3 has implications for models of CDK activation.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2GC5
 | | G51S mutant of L. casei FPGS | | 分子名称: | Folylpolyglutamate synthase, SULFATE ION | | 著者 | Smith, C.A, Cross, J.A, Bognar, A.L, Sun, X. | | 登録日 | 2006-03-13 | | 公開日 | 2006-06-27 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Mutation of Gly51 to serine in the P-loop of Lactobacillus casei folylpolyglutamate synthetase abolishes activity by altering the conformation of two adjacent loops.
Acta Crystallogr.,Sect.D, 62, 2006
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2GC6
 | | S73A mutant of L. casei FPGS | | 分子名称: | Folylpolyglutamate synthase, SULFATE ION | | 著者 | Smith, C.A, Cross, J.A, Bognar, A.L, Sun, X. | | 登録日 | 2006-03-13 | | 公開日 | 2006-06-27 | | 最終更新日 | 2021-10-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Mutation of Gly51 to serine in the P-loop of Lactobacillus casei folylpolyglutamate synthetase abolishes activity by altering the conformation of two adjacent loops.
Acta Crystallogr.,Sect.D, 62, 2006
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2GHM
 | | Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-895449 | | 分子名称: | 3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA, Mitogen-activated protein kinase 14 | | 著者 | Walter, R.L, Mekel, M.J, Evdokimov, A.G, Pokross, M.E, Maier, J.A. | | 登録日 | 2006-03-27 | | 公開日 | 2006-05-02 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1.
Bioorg.Med.Chem.Lett., 16, 2006
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2FZ4
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2GDQ
 | | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Bacillus subtilis at 1.8 A resolution | | 分子名称: | yitF | | 著者 | Malashkevich, V.N, Toro, R, Sauder, J.M, Schwinn, K.D, Emtage, S, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Burley, S.K, Sali, A, Babbitt, P, Pieper, U, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2006-03-16 | | 公開日 | 2006-04-04 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of mandelate racemase/muconate lactonizing enzyme from Bacillus subtilis at 1.8 A resolution
To be Published
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