5K4J
 
 | | Crystal Structure of CDK2 in complex with compound 22 | | 分子名称: | 1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-4-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]pyridin-2-one, Cyclin-dependent kinase 2 | | 著者 | Yin, J, Wang, W. | | 登録日 | 2016-05-20 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Development.
J.Med.Chem., 59, 2016
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2WW6
 | | foldon containing D-amino acids in turn positions | | 分子名称: | FIBRITIN, TETRAETHYLENE GLYCOL | | 著者 | Eckhardt, B, Grosse, W, Essen, L.-O, Geyer, A. | | 登録日 | 2009-10-22 | | 公開日 | 2010-09-29 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | Structural Characterization of a Beta-Turn Mimic within a Protein-Protein Interface.
Proc.Natl.Acad.Sci.USA, 107, 2010
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5K7F
 | | Crystal structure of apo AibR | | 分子名称: | ACETATE ION, Transcriptional regulator, TetR family | | 著者 | Bock, T, Volz, C, Mueller, R, Blankenfeldt, W. | | 登録日 | 2016-05-26 | | 公開日 | 2016-12-21 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | The AibR-isovaleryl coenzyme A regulator and its DNA binding site - a model for the regulation of alternative de novo isovaleryl coenzyme A biosynthesis in Myxococcus xanthus.
Nucleic Acids Res., 45, 2017
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1D6D
 | | SOLUTION DNA STRUCTURE CONTAINING (A-A)-T TRIADS INTERDIGITATED BETWEEN A-T BASE PAIRS AND GGGG TETRADS; NMR, 8 STRUCT. | | 分子名称: | 5'-D(*AP*AP*GP*GP*TP*TP*TP*TP*AP*AP*GP*G)-3' | | 著者 | Kuryavyi, V.V, Kettani, A, Wang, W, Jones, R, Patel, D.J. | | 登録日 | 1999-10-13 | | 公開日 | 2000-01-17 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A diamond-shaped zipper-like DNA architecture containing triads sandwiched between mismatches and tetrads.
J.Mol.Biol., 295, 2000
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5KA9
 | | Protein Tyrosine Phosphatase 1B L192A mutant in complex with TCS401, open state | | 分子名称: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Choy, M.S, Peti, W, Page, R. | | 登録日 | 2016-06-01 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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7TIN
 | | The Structure of S. aureus MenD | | 分子名称: | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Johnston, J.M, Stanborough, T, Ho, N.A.T, Akazong, E.W, Jiao, W. | | 登録日 | 2022-01-14 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Allosteric inhibition of Staphylococcus aureus MenD by 1,4-dihydroxy naphthoic acid: a feedback inhibition mechanism of the menaquinone biosynthesis pathway.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 378, 2023
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5JPF
 | | Serine/Threonine phosphatase Z1 (Candida albicans) binds to inhibitor microcystin-LR | | 分子名称: | MALONATE ION, MANGANESE (II) ION, Microcystin-LR, ... | | 著者 | Choy, M.S, Chen, E.H, Peti, W, Page, R. | | 登録日 | 2016-05-03 | | 公開日 | 2016-08-31 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.39929724 Å) | | 主引用文献 | Molecular Insights into the Fungus-Specific Serine/Threonine Protein Phosphatase Z1 in Candida albicans.
Mbio, 7, 2016
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5JQ4
 | | Structure of a GNAT acetyltransferase SACOL1063 from Staphylococcus aureus | | 分子名称: | 1,2-ETHANEDIOL, Acetyltransferase SACOL1063, CHLORIDE ION, ... | | 著者 | Majorek, K.A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2016-05-04 | | 公開日 | 2016-06-29 | | 最終更新日 | 2022-04-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Insight into the 3D structure and substrate specificity of previously uncharacterized GNAT superfamily acetyltransferases from pathogenic bacteria.
Biochim.Biophys.Acta, 1865, 2016
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1B6Z
 | | 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE | | 分子名称: | 6-pyruvoyl tetrahydropterin synthase, ZINC ION | | 著者 | Ploom, T, Thoeny, B, Yim, J, Lee, S, Nar, H, Leimbacher, W, Huber, R, Richardson, J, Auerbach, G. | | 登録日 | 1999-01-18 | | 公開日 | 2000-01-21 | | 最終更新日 | 2023-08-09 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystallographic and kinetic investigations on the mechanism of 6-pyruvoyl tetrahydropterin synthase.
J.Mol.Biol., 286, 1999
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5JRB
 | | Rad52(1-212) K102A/K133A/E202A mutant | | 分子名称: | DNA repair protein RAD52 homolog | | 著者 | Saotome, M, Saito, K, Kurumizaka, H, Kagawa, W. | | 登録日 | 2016-05-06 | | 公開日 | 2016-08-10 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.405 Å) | | 主引用文献 | Structure of the human DNA-repair protein RAD52 containing surface mutations.
Acta Crystallogr.,Sect.F, 72, 2016
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4EIC
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2XAA
 | | Alcohol dehydrogenase ADH-'A' from Rhodococcus ruber DSM 44541 at pH 8.5 in complex with NAD and butane-1,4-diol | | 分子名称: | 1,4-BUTANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SECONDARY ALCOHOL DEHYDROGENASE, ... | | 著者 | Kroutil, W, Gruber, K, Grogan, G. | | 登録日 | 2010-03-30 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural Insights Into Substrate Specificity and Solvent Tolerance in Alcohol Dehydrogenase Adh-'A' from Rhodococcus Ruber Dsm 44541.
Chem.Commun.(Camb.), 46, 2010
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5KFY
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1B3P
 | | 5'-D(*GP*GP*AP*GP*GP*AP*T)-3' | | 分子名称: | DNA (5'-D(*GP*GP*AP*GP*GP*AP*T)-3') | | 著者 | Kettani, A, Bouaziz, S, Skripkin, E, Majumdar, A, Wang, W, Jones, R.A, Patel, D.J. | | 登録日 | 1998-12-14 | | 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 | Interlocked mismatch-aligned arrowhead DNA motifs.
Structure Fold.Des., 7, 1999
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5K79
 | | Structure and anti-HIV activity of CYT-CVNH, a new cyanovirin-n homolog | | 分子名称: | 1,2-ETHANEDIOL, Cyanovirin-N domain protein, DI(HYDROXYETHYL)ETHER | | 著者 | Matei, E, Basu, R, Furey, W, Shi, J, Calnan, C, Aiken, C, Gronenborn, A.M. | | 登録日 | 2016-05-25 | | 公開日 | 2016-07-20 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure and Glycan Binding of a New Cyanovirin-N Homolog.
J.Biol.Chem., 291, 2016
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2CTN
 | | STRUCTURE OF CALCIUM-SATURATED CARDIAC TROPONIN C, NMR, 30 STRUCTURES | | 分子名称: | CALCIUM ION, TROPONIN C | | 著者 | Sia, S.K, Li, M.X, Spyracopoulos, L, Gagne, S.M, Liu, W, Putkey, J.A, Sykes, B.D. | | 登録日 | 1997-05-06 | | 公開日 | 1998-05-06 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure of cardiac muscle troponin C unexpectedly reveals a closed regulatory domain.
J.Biol.Chem., 272, 1997
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5KA0
 | | Protein Tyrosine Phosphatase 1B Delta helix 7, open state | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | | 著者 | Choy, M.S, Peti, W, Page, R. | | 登録日 | 2016-06-01 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.991 Å) | | 主引用文献 | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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5KAD
 | | Protein Tyrosine Phosphatase 1B N193A mutant in complex with TCS401, closed state | | 分子名称: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | | 著者 | Choy, M.S, Peti, W, Page, R. | | 登録日 | 2016-06-01 | | 公開日 | 2017-03-01 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Conformational Rigidity and Protein Dynamics at Distinct Timescales Regulate PTP1B Activity and Allostery.
Mol. Cell, 65, 2017
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2CYK
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2WD0
 | | CRYSTAL STRUCTURE OF NONSYNDROMIC DEAFNESS (DFNB12) ASSOCIATED MUTANT D124G OF MOUSE CADHERIN-23 EC1-2 | | 分子名称: | CADHERIN-23, CALCIUM ION, CHLORIDE ION, ... | | 著者 | Sotomayor, M, Weihofen, W, Gaudet, R, Corey, D.P. | | 登録日 | 2009-03-18 | | 公開日 | 2010-04-21 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | Structural Determinants of Cadherin-23 Function in Hearing and Deafness.
Neuron, 66, 2010
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2CO0
 | | WDR5 and unmodified Histone H3 complex at 2.25 Angstrom | | 分子名称: | HISTONE H3 DIMETHYL-LYSINE 4, WD-REPEAT PROTEIN 5 | | 著者 | Ruthenburg, A.J, Wang, W, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L. | | 登録日 | 2006-05-25 | | 公開日 | 2006-07-03 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | | 主引用文献 | Histone H3 Recognition and Presentation by the Wdr5 Module of the Mll1 Complex
Nat.Struct.Mol.Biol., 13, 2006
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2CNX
 | | WDR5 and Histone H3 Lysine 4 dimethyl complex at 2.1 angstrom | | 分子名称: | HISTONE H3 DIMETHYL-LYSINE 4, WD-REPEAT PROTEIN 5 | | 著者 | Ruthenburg, A.J, Wang, W, Graybosch, D.M, Li, H, Allis, C.D, Patel, D.J, Verdine, G.L. | | 登録日 | 2006-05-25 | | 公開日 | 2006-07-03 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Histone H3 Recognition and Presentation by the Wdr5 Module of the Mll1 Complex
Nat.Struct.Mol.Biol., 13, 2006
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5KFC
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2VVV
 | | Aminopyrrolidine-related triazole Factor Xa inhibitor | | 分子名称: | 5-chloro-N-[1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | 著者 | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | | 登録日 | 2008-06-12 | | 公開日 | 2009-07-07 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit.
Eur.J.Med.Chem., 44, 2009
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5KFL
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