2YEX
 
 | | Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors | | 分子名称: | 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ... | | 著者 | Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A. | | 登録日 | 2011-03-31 | | 公開日 | 2012-03-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
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3H70
 | | Crystal structure of o-succinylbenzoic acid synthetase from staphylococcus aureus Complexed with mg in the active site | | 分子名称: | MAGNESIUM ION, O-succinylbenzoic acid (OSB) synthetase | | 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 | 2009-04-24 | | 公開日 | 2009-05-05 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Loss of quaternary structure is associated with rapid sequence divergence in the OSBS family.
Proc.Natl.Acad.Sci.USA, 111, 2014
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3EG0
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3EQB
 | | X-ray structure of the human mitogen-activated protein kinase kinase 1 (MEK1) in a complex with ligand and MgATP | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | 著者 | Ohren, J.F, Pavlovsky, A, Zhang, E. | | 登録日 | 2008-09-30 | | 公開日 | 2008-11-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | 2-Alkylamino- and alkoxy-substituted 2-amino-1,3,4-oxadiazoles-O-Alkyl benzohydroxamate esters replacements retain the desired inhibition and selectivity against MEK (MAP ERK kinase).
Bioorg.Med.Chem.Lett., 18, 2008
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3HG6
 | | Crystal Structure of the Recombinant Onconase from Rana pipiens | | 分子名称: | GLYCEROL, Onconase, SULFATE ION | | 著者 | Camara-Artigas, A, Gavira, J.A, Casares-Atienza, S, Weininger, U, Balbach, J, Garcia-Mira, M.M. | | 登録日 | 2009-05-13 | | 公開日 | 2010-05-19 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Three-state thermal unfolding of onconase.
Biophys.Chem., 159, 2011
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3MJI
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1EVQ
 | | THE CRYSTAL STRUCTURE OF THE THERMOPHILIC CARBOXYLESTERASE EST2 FROM ALICYCLOBACILLUS ACIDOCALDARIUS | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SERINE HYDROLASE | | 著者 | De Simone, G, Galdiero, S, Manco, G, Lang, D, Rossi, M, Pedone, C. | | 登録日 | 2000-04-20 | | 公開日 | 2000-11-22 | | 最終更新日 | 2018-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A snapshot of a transition state analogue of a novel thermophilic esterase belonging to the subfamily of mammalian hormone-sensitive lipase.
J.Mol.Biol., 303, 2000
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1ETG
 | | REV RESPONSE ELEMENT (RRE) RNA COMPLEXED WITH REV PEPTIDE, NMR, 19 STRUCTURES | | 分子名称: | REV PEPTIDE, REV RESPONSIVE ELEMENT RNA | | 著者 | Battiste, J.L, Mao, H, Rao, N.S, Tan, R, Muhandiram, D.R, Kay, L.E, Frankel, A.D, Willamson, J.R. | | 登録日 | 1996-08-28 | | 公開日 | 1997-03-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Alpha helix-RNA major groove recognition in an HIV-1 rev peptide-RRE RNA complex.
Science, 273, 1996
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1ETF
 | | REV RESPONSE ELEMENT (RRE) RNA COMPLEXED WITH REV PEPTIDE, NMR, MINIMIZED AVERAGE STRUCTURE | | 分子名称: | REV PEPTIDE, REV RESPONSE ELEMENT RNA | | 著者 | Battiste, J.L, Mao, H, Rao, N.S, Tan, R, Muhandiram, D.R, Kay, L.E, Frankel, A.D, Willamson, J.R. | | 登録日 | 1996-08-28 | | 公開日 | 1997-03-12 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Alpha helix-RNA major groove recognition in an HIV-1 rev peptide-RRE RNA complex.
Science, 273, 1996
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1THX
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1EZN
 | | SOLUTION STRUCTURE OF A DNA THREE-WAY JUNCTION | | 分子名称: | DNA THREE-WAY JUNCTION | | 著者 | van Buuren, B.N.M, Overmars, F.J, Ippel, J.H, Altona, C, Wijmenga, S.S. | | 登録日 | 2000-05-11 | | 公開日 | 2001-04-21 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of a DNA three-way junction containing two unpaired thymidine bases. Identification of sequence features that decide conformer selection.
J.Mol.Biol., 304, 2000
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1U0X
 | | Crystal structure of nitrophorin 4 under pressure of xenon (200 psi) | | 分子名称: | AMMONIA, Nitrophorin 4, PROTOPORPHYRIN IX CONTAINING FE, ... | | 著者 | Nienhaus, K, Maes, E.M, Weichsel, A, Montfort, W.R, Nienhaus, G.U. | | 登録日 | 2004-07-14 | | 公開日 | 2004-07-20 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structural dynamics controls nitric oxide affinity in nitrophorin 4
J.Biol.Chem., 279, 2004
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1FOL
 | | REDUCED BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG(H4B-FREE) | | 分子名称: | ACETATE ION, ARGININE, CACODYLATE ION, ... | | 著者 | Raman, C.S, Li, H, Martasek, P, Masters, B.S, Poulos, T.L. | | 登録日 | 2000-08-28 | | 公開日 | 2001-07-20 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors
Biochemistry, 40, 2001
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1FAH
 | | STRUCTURE OF CYTOCHROME P450 | | 分子名称: | CYTOCHROME P450 BM-3, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Li, H.Y, Poulos, T.L. | | 登録日 | 1996-08-01 | | 公開日 | 1997-02-12 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | The role of Thr268 in oxygen activation of cytochrome P450BM-3.
Biochemistry, 34, 1995
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1UT3
 | | Solution Structure of Spheniscin-2, a beta-Defensin from Penguin Stomach Preserving Food | | 分子名称: | SPHENISCIN-2 | | 著者 | Landon, C, Labbe, H, Thouzeau, C, Bulet, P, Vovelle, F. | | 登録日 | 2003-12-02 | | 公開日 | 2004-05-06 | | 最終更新日 | 2011-07-13 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structure of Spheniscin, a {Beta}-Defensin from the Penguin Stomach
J.Biol.Chem., 279, 2004
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3M6F
 | | CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID | | 分子名称: | 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, NITRATE ION | | 著者 | Sheriff, S. | | 登録日 | 2010-03-15 | | 公開日 | 2010-05-12 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521).
J.Med.Chem., 53, 2010
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1GJR
 | | Ferredoxin-NADP+ Reductase complexed with NADP+ by COCRYSTALLIZATION | | 分子名称: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | | 登録日 | 2001-08-01 | | 公開日 | 2002-06-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Mechanism of Coenzyme Recognition and Binding Revealed by Crystal Structure Analysis of Ferredoxin-Nadp(+) Reductase Complexed with Nadp(+)
J.Mol.Biol., 319, 2002
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1H8D
 | | X-ray structure of the human alpha-thrombin complex with a tripeptide phosphonate inhibitor. | | 分子名称: | HIRUDIN I, N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-{(1S,3E)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-L-prolinamide, THROMBIN | | 著者 | Skordalakes, E, Dodson, G.G, Green, D, Deadman, J. | | 登録日 | 2001-02-01 | | 公開日 | 2001-02-26 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Inhibition of Human Alpha-Thrombin by a Phosphonate Tripeptide Proceeds Via a Metastable Pentacoordinated Phosphorus Intermediate
J.Mol.Biol., 311, 2001
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1GY3
 | | pCDK2/cyclin A in complex with MgADP, nitrate and peptide substrate | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | 著者 | Cook, A, Lowe, E.D, Chrysina, E.D, Skamnaki, V.T, Oikonomakos, N.G, Johnson, L.N. | | 登録日 | 2002-04-19 | | 公開日 | 2002-04-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural Studies on Phospho-Cdk2/Cyclin a Bound to Nitrate, a Transition State Analogue: Implications for the Protein Kinase Mechanism
Biochemistry, 41, 2002
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1H25
 | | CDK2/Cyclin A in complex with an 11-residue recruitment peptide from retinoblastoma-associated protein | | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, RETINOBLASTOMA-ASSOCIATED PROTEIN | | 著者 | Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N. | | 登録日 | 2002-07-31 | | 公開日 | 2003-02-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A
Biochemistry, 41, 2002
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3OYR
 | | Crystal structure of polyprenyl synthase from Caulobacter crescentus CB15 complexed with calcium and isoprenyl diphosphate | | 分子名称: | CALCIUM ION, DIMETHYLALLYL DIPHOSPHATE, PYROPHOSPHATE 2-, ... | | 著者 | Patskovsky, Y, Toro, R, Rutter, M, Sauder, J.M, Burley, S.K, Poulter, C.D, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2010-09-23 | | 公開日 | 2010-10-13 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1UP8
 | | Recombinant vanadium-dependent bromoperoxidase from red algae Corallina pilulifera | | 分子名称: | CALCIUM ION, PHOSPHATE ION, VANADIUM-DEPENDENT BROMOPEROXIDASE 1 | | 著者 | Garcia-Rodriguez, E, Isupov, M, Ohshiro, T, Izumi, Y, Littlechild, J.A. | | 登録日 | 2003-09-29 | | 公開日 | 2003-09-30 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Enhancing Effect of Calcium and Vanadium Ions on Thermal Stability of Bromoperoxidase from Corallina Pilulifera.
J.Biol.Inorg.Chem., 10, 2005
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1UVZ
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1H8I
 | | X-ray crystal structure of human alpha-thrombin with a tripeptide phosphonate inhibitor. | | 分子名称: | HIRUDIN I, N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-[(1S)-4-methoxy-1-phosphonobutyl]-L-prolinamide, THROMBIN | | 著者 | Skordalakes, E, Dodson, G.G, Green, D, Deadman, J. | | 登録日 | 2001-02-08 | | 公開日 | 2001-03-02 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Inhibition of Human Alpha-Thrombin by a Phosphonate Tripeptide Proceeds Via a Metastable Pentacoordinated Phosphorus Intermediate
J.Mol.Biol., 311, 2001
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1H24
 | | CDK2/CyclinA in complex with a 9 residue recruitment peptide from E2F | | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, TRANSCRIPTION FACTOR E2F1 | | 著者 | Tews, I, Cheng, K.Y, Lowe, E.D, Noble, M.E.M, Brown, N.R, Gul, S, Gamblin, S, Johnson, L.N. | | 登録日 | 2002-07-31 | | 公開日 | 2003-02-01 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Specificity Determinants of Recruitment Peptides Bound to Phospho-Cdk2/Cyclin A
Biochemistry, 41, 2002
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