4BCP
 
 | | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | | 分子名称: | 2-[[3-(1,4-diazepan-1-yl)phenyl]amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | | 著者 | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | | 登録日 | 2012-10-02 | | 公開日 | 2013-04-17 | | 最終更新日 | 2013-08-07 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Substituted 4-(Thiazol-5-Yl)-2-(Phenylamino)Pyrimidines are Highly Active Cdk9 Inhibitors: Synthesis, X-Ray Crystal Structure, Sar and Anti-Cancer Activities.
J.Med.Chem., 56, 2013
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4BBH
 | | Plasmodium vivax N-myristoyltransferase with a bound benzothiophene inhibitor | | 分子名称: | 2-oxopentadecyl-CoA, 3-methoxybenzyl 3-(piperidin-4-yloxy)-1-benzothiophene-2-carboxylate, CHLORIDE ION, ... | | 著者 | Rackham, M.D, Brannigan, J.A, Moss, D.K, Yu, Z, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | 登録日 | 2012-09-23 | | 公開日 | 2012-12-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Discovery of Novel and Ligand-Efficient Inhibitors of Plasmodium Falciparum and Plasmodium Vivax N-Myristoyltransferase.
J.Med.Chem., 56, 2013
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3Q45
 | | Crystal structure of Dipeptide Epimerase from Cytophaga hutchinsonii complexed with Mg and dipeptide D-Ala-L-Val | | 分子名称: | D-ALANINE, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme family; possible chloromuconate cycloisomerase, ... | | 著者 | Lukk, T, Gerlt, J.A, Nair, S.K. | | 登録日 | 2010-12-22 | | 公開日 | 2011-02-16 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3OV6
 | | CD1c in complex with MPM (mannosyl-beta1-phosphomycoketide) | | 分子名称: | 1-O-[(S)-hydroxy{[(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-beta-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | | 著者 | Scharf, L, Li, N.S, Hawk, A.J, Garzon, D, Zhang, T, Kazen, A.R, Shah, S, Haddadian, E.J, Saghatelian, A, Faraldo-Gomez, J.D, Meredith, S.C, Piccirilli, J.A, Adams, E.J. | | 登録日 | 2010-09-15 | | 公開日 | 2011-01-19 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.502 Å) | | 主引用文献 | The 2.5 A structure of CD1c in complex with a mycobacterial lipid reveals an open groove ideally suited for diverse antigen presentation
Immunity, 33, 2010
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4AMU
 | | Structure of ornithine carbamoyltransferase from Mycoplasma penetrans with a P321 space group | | 分子名称: | ORNITHINE CARBAMOYLTRANSFERASE, CATABOLIC | | 著者 | Gallego, P, Benach, J, Planell, R, Querol, E, Perez-Pons, J.A, Reverter, D. | | 登録日 | 2012-03-13 | | 公開日 | 2012-03-28 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural Characterization of the Enzymes Composing the Arginine Deiminase Pathway in Mycoplasma Penetrans.
Plos One, 7, 2012
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1NI3
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1DSA
 | | (+)-DUOCARMYCIN SA COVALENTLY LINKED TO DUPLEX DNA, NMR, 20 STRUCTURES | | 分子名称: | 4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, DNA (5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3', 5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3') | | 著者 | Eis, P.S, Smith, J.A, Case, D.A, Chazin, W.J. | | 登録日 | 1997-05-08 | | 公開日 | 1997-08-20 | | 最終更新日 | 2024-05-22 | | 実験手法 | SOLUTION NMR | | 主引用文献 | High resolution solution structure of a DNA duplex alkylated by the antitumor agent duocarmycin SA.
J.Mol.Biol., 272, 1997
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3P3F
 | | Crystal structure of the F36A mutant of the fluoroacetyl-CoA-specific thioesterase FlK | | 分子名称: | Fluoroacetyl coenzyme A thioesterase | | 著者 | Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y. | | 登録日 | 2010-10-04 | | 公開日 | 2010-10-20 | | 最終更新日 | 2011-11-16 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity.
Biochemistry, 49, 2010
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1S9B
 | | Crystal Structure Analysis of the B-DNA GAATTCG | | 分子名称: | 5'-D(*GP*AP*AP*TP*TP*CP*G)-3', NICKEL (II) ION | | 著者 | Valls, N, Uson, I, Gouyette, C, Subirana, J.A. | | 登録日 | 2004-02-04 | | 公開日 | 2004-09-07 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | | 主引用文献 | A cubic arrangement of DNA double helices based on nickel-guanine interactions
J.Am.Chem.Soc., 126, 2004
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1SO3
 | | Crystal structure of H136A mutant of 3-keto-L-gulonate 6-phosphate decarboxylase with bound L-threonohydroxamate 4-phosphate | | 分子名称: | 3-keto-L-gulonate 6-phosphate decarboxylase, L-THREONOHYDROXAMATE 4-PHOSPHATE, MAGNESIUM ION | | 著者 | Wise, E.L, Yew, W.S, Gerlt, J.A, Rayment, I. | | 登録日 | 2004-03-12 | | 公開日 | 2004-06-08 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Evolution of Enzymatic Activities in the Orotidine 5'-Monophosphate Decarboxylase Suprafamily: Crystallographic Evidence for a Proton Relay System in the Active Site of 3-Keto-l-gulonate 6-Phosphate Decarboxylase(,)
Biochemistry, 43, 2004
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3P2Q
 | | Crystal structure of the fluoroacetyl-CoA-specific thioesterase, FlK | | 分子名称: | Fluoroacetyl coenzyme A thioesterase | | 著者 | Weeks, A.M, Coyle, S.M, Jinek, M, Doudna, J.A, Chang, M.C.Y. | | 登録日 | 2010-10-03 | | 公開日 | 2010-10-20 | | 最終更新日 | 2011-11-16 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural and biochemical studies of a fluoroacetyl-CoA-specific thioesterase reveal a molecular basis for fluorine selectivity.
Biochemistry, 49, 2010
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1N83
 | | Crystal Structure of the complex between the Orphan Nuclear Hormone Receptor ROR(alpha)-LBD and Cholesterol | | 分子名称: | CHOLESTEROL, Nuclear receptor ROR-alpha | | 著者 | Kallen, J.A, Schlaeppi, J.M, Bitsch, F, Geisse, S, Geiser, M, Delhon, I, Fournier, B. | | 登録日 | 2002-11-19 | | 公開日 | 2002-12-11 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | X-ray Structure of hROR(alpha) LBD at 1.63A: Structural and Functional data that Cholesterol or a Cholesterol derivative is the natural ligand of ROR(alpha)
Structure, 10, 2002
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4L9W
 | | Crystal Structure of H-Ras G12C, GMPPNP-bound | | 分子名称: | CALCIUM ION, GTPase HRas, MAGNESIUM ION, ... | | 著者 | Ostrem, J.M, Peters, U, Sos, M.L, Wells, J.A, Shokat, K.M. | | 登録日 | 2013-06-18 | | 公開日 | 2013-11-27 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.952 Å) | | 主引用文献 | K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions.
Nature, 503, 2013
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4L47
 | | Crystal Structure of Frameshift Suppressor tRNA SufA6 Bound to Codon CCC-U on the Ribosome | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Maehigashi, T, Dunkle, J.A, Dunham, C.M. | | 登録日 | 2013-06-07 | | 公開日 | 2014-08-06 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (3.220001 Å) | | 主引用文献 | Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4LEB
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1DT1
 | | THERMUS THERMOPHILUS CYTOCHROME C552 SYNTHESIZED BY ESCHERICHIA COLI | | 分子名称: | CYTOCHROME C552, HEME C | | 著者 | Fee, J.A, Chen, Y, Hill, M.J, Gomez-Moran, E, Loehr, T, Ai, J, Thony-Meyer, L, Williams, P.A, Stura, E, Sridhar, V, McRee, D.E. | | 登録日 | 2000-01-10 | | 公開日 | 2000-02-18 | | 最終更新日 | 2021-03-03 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Integrity of thermus thermophilus cytochrome c552 synthesized by Escherichia coli cells expressing the host-specific cytochrome c maturation genes, ccmABCDEFGH: biochemical, spectral, and structural characterization of the recombinant protein.
Protein Sci., 9, 2000
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4B8S
 | | Crystal Structure of Thermococcus litoralis ADP-dependent Glucokinase (GK) | | 分子名称: | ADENOSINE MONOPHOSPHATE, ADP-DEPENDENT GLUCOKINASE, GLYCEROL, ... | | 著者 | Herrera-Morande, A, Rivas-Pardo, J.A, Fernandez, F.J, Guixe, V, Vega, M.C. | | 登録日 | 2012-08-30 | | 公開日 | 2013-07-10 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.58 Å) | | 主引用文献 | Crystal Structure, Saxs and Kinetic Mechanism of Hyperthermophilic Adp-Dependent Glucokinase from Thermococcus Litoralis Reveal a Conserved Mechanism for Catalysis.
Plos One, 8, 2013
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1SJF
 | | Crystal Structure of the Hepatitis Delta Virus Gemonic Ribozyme Precursor, with C75U mutaion, in Cobalt Hexammine solution | | 分子名称: | COBALT HEXAMMINE(III), Hepatitis Delta virus ribozyme, U1 small nuclear ribonucleoprotein A | | 著者 | Ke, A, Zhou, K, Ding, F, Cate, J.H.D, Doudna, J.A. | | 登録日 | 2004-03-03 | | 公開日 | 2004-05-18 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | A conformational switch controls hepatitis delta virus ribozyme catalysis.
Nature, 429, 2004
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4KVD
 | | Crystal structure of Aspergillus terreus aristolochene synthase complexed with (4aS,7S)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolin-1-ium | | 分子名称: | (1R,4aS,7S,8aR)-1,4a-dimethyl-7-(prop-1-en-2-yl)decahydroquinolinium, Aristolochene synthase, GLYCEROL, ... | | 著者 | Chen, M, Faraldos, J.A, Al-lami, N, Janvier, M, D'Antonio, E.L, Cane, D.E, Allemann, R.K, Christianson, D.W. | | 登録日 | 2013-05-22 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase.
Biochemistry, 52, 2013
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3P93
 | | Crystal structure of D-mannonate dehydratase from Chromohalobacter Salexigens complexed with MG,D-Mannonate and 2-keto-3-deoxy-D-Gluconate | | 分子名称: | 2-KETO-3-DEOXYGLUCONATE, D-MANNONIC ACID, MAGNESIUM ION, ... | | 著者 | Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C. | | 登録日 | 2010-10-15 | | 公開日 | 2011-10-19 | | 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 D-MANNONATE DEHYDRATASE FROM CHROMOHALOBACTER SALEXIGENS complexed with MG,D-Mannonate and 2-keto-3-deoxy-D-Gluconate
To be Published
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1SNG
 | | Structure of a Thermophilic Serpin in the Native State | | 分子名称: | COG4826: Serine protease inhibitor, SULFATE ION | | 著者 | Fulton, K.F, Buckle, A.M, Cabrita, L.D, Irving, J.A, Butcher, R.E, Smith, I, Reeve, S, Lesk, A.M, Bottomley, S.P, Rossjohn, J, Whisstock, J.C. | | 登録日 | 2004-03-10 | | 公開日 | 2004-12-14 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | The high resolution crystal structure of a native thermostable serpin reveals the complex mechanism underpinning the stressed to relaxed transition.
J.Biol.Chem., 280, 2005
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4LFZ
 | | Crystal Structure of Frameshift Suppressor tRNA SufA6 Bound to Codon CCC-U in the Absence of Paromomycin | | 分子名称: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | | 著者 | Maehigashi, T, Dunkle, J.A, Dunham, C.M. | | 登録日 | 2013-06-27 | | 公開日 | 2014-08-06 | | 最終更新日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (3.92000055 Å) | | 主引用文献 | Structural insights into +1 frameshifting promoted by expanded or modification-deficient anticodon stem loops.
Proc.Natl.Acad.Sci.USA, 111, 2014
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4B14
 | | Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 26) | | 分子名称: | 2-oxopentadecyl-CoA, 3-methoxybenzyl 3-methyl-4-(piperidin-4-yloxy)-1-benzofuran-2-carboxylate, CHLORIDE ION, ... | | 著者 | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | | 登録日 | 2012-07-06 | | 公開日 | 2012-10-17 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Anti-Malarial Drug Discovery.
J.Med.Chem., 55, 2012
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4KK2
 | | Crystal structure of a chimeric FPP/GFPP synthase (TARGET EFI-502313c) from Artemisia spiciformiS (1-72:GI751454468,73-346:GI75233326), apo structure | | 分子名称: | Monoterpene synthase FDS-5, chloroplastic - Farnesyl diphosphate synthase 1 chimera | | 著者 | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2013-05-05 | | 公開日 | 2013-06-19 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of a chimeric FPP/GFPP synthase (TARGET EFI-502313c) from Artemisia spiciformis (1-72:GI751454468,73-346:GI75233326), apo structure
To be Published
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4AJ2
 | | rat LDHA in complex with 5-(2-chlorophenyl)-1H-tetrazole | | 分子名称: | 5-(2-CHLOROPHENYL)-1H-TETRAZOLE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | | 著者 | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Frazer, M. | | 登録日 | 2012-02-15 | | 公開日 | 2012-03-21 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation
J.Med.Chem., 55, 2012
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