6CMH
 
 | | SYNTHETIC LINEAR MODIFIED ENDOTHELIN-1 AGONIST | | 分子名称: | PROTEIN (ENDOTHELIN-1) | | 著者 | Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H. | | 登録日 | 1998-09-03 | | 公開日 | 1999-09-29 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling.
J.Pept.Res., 53, 1999
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3FYY
 | | Crystal structure of divergent enolase from Oceanobacillus iheyensis complexed with Mg | | 分子名称: | MAGNESIUM ION, Muconate cycloisomerase | | 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 | 2009-01-23 | | 公開日 | 2009-02-03 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Computation-facilitated assignment of the function in the enolase superfamily: a regiochemically distinct galactarate dehydratase from Oceanobacillus iheyensis .
Biochemistry, 48, 2009
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6VSF
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxobutanoic acid(fragment 16) | | 分子名称: | 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | 著者 | Ribeiro, J.A, Dias, M.V.B. | | 登録日 | 2020-02-11 | | 公開日 | 2020-07-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.012 Å) | | 主引用文献 | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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1OIY
 | | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | | 分子名称: | 4-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)--BENZAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | 著者 | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | | 登録日 | 2003-06-26 | | 公開日 | 2004-07-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
J.Med.Chem., 47, 2004
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1OI9
 | | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | | 分子名称: | 6-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | 著者 | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | | 登録日 | 2003-06-10 | | 公開日 | 2004-07-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
J.Med.Chem., 47, 2004
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1OIU
 | | Structure of human Thr160-phospho CDK2/cyclin A complexed with a 6-cyclohexylmethyloxy-2-anilino-purine inhibitor | | 分子名称: | 3-(6-CYCLOHEXYLMETHOXY-9H-PURIN-2-YLAMINO)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2, CYCLIN A2, ... | | 著者 | Pratt, D.J, Endicott, J.A, Noble, M.E.M. | | 登録日 | 2003-06-26 | | 公開日 | 2004-07-13 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | N2-Substituted O6-Cyclohexylmethylguanine Derivatives: Potent Inhibitors of Cyclin-Dependent Kinases 1 and 2
J.Med.Chem., 47, 2004
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6CLB
 | | 3.20 A MicroED structure of proteinase K at 7.8 e- / A^2 | | 分子名称: | Proteinase K | | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | 登録日 | 2018-03-02 | | 公開日 | 2018-05-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (3.2 Å) | | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
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6CLL
 | | 1.02 A MicroED structure of GSNQNNF at 1.2 e- / A^2 | | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | 登録日 | 2018-03-02 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.02 Å) | | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
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6CLT
 | | 1.45 A MicroED structure of GSNQNNF at 3.8 e- / A^2 | | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | 登録日 | 2018-03-02 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.45 Å) | | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
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1PY2
 | | Structure of a 60 nM Small Molecule Bound to a Hot Spot on IL-2 | | 分子名称: | 5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID, Interleukin-2, ZINC ION | | 著者 | Thanos, C.D, Randal, M, Wells, J.A. | | 登録日 | 2003-07-07 | | 公開日 | 2004-01-13 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Potent small-molecule binding to a dynamic hot spot on IL-2.
J.Am.Chem.Soc., 125, 2003
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1Q5H
 | | Human dUTP Pyrophosphatase complex with dUDP | | 分子名称: | DEOXYURIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, dUTP pyrophosphatase | | 著者 | Mol, C.D, Harris, J.M, McIntosh, E.M, Tainer, J.A. | | 登録日 | 2003-08-07 | | 公開日 | 2003-08-19 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Human dUTP pyrophosphatase: uracil recognition by a Beta hairpin and active sites formed by three separate subunits
Structure, 4, 1996
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3DI3
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3FGU
 | | Catalytic complex of Human Glucokinase | | 分子名称: | Glucokinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | 著者 | Petit, P, Lagarde, A, Boutin, J.A, Ferry, G, Vuillard, L. | | 登録日 | 2008-12-08 | | 公開日 | 2009-12-15 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | The active conformation of human glucokinase is not altered by allosteric activators
Acta Crystallogr.,Sect.D, 67, 2011
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1PYX
 | | GSK-3 Beta complexed with AMP-PNP | | 分子名称: | Glycogen synthase kinase-3 beta, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | 著者 | Bertrand, J.A, Thieffine, S, Vulpetti, A, Cristiani, C, Valsasina, B, Knapp, S, Kalisz, H.M, Flocco, M. | | 登録日 | 2003-07-09 | | 公開日 | 2003-10-21 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural characterization of the GSK-3beta active site using selective and non-selective ATP-mimetic inhibitors
J.Mol.Biol., 333, 2003
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1Q5U
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6BYS
 | | Structures of the PKA RI alpha holoenzyme with the FLHCC driver J-PKAc alpha or native PRKAc alpha | | 分子名称: | cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase type I-alpha regulatory subunit | | 著者 | Cao, B, Lu, T.W, Martinez Fiesco, J.A, Tomasini, M, Fan, L, Simon, S.M, Taylor, S.S, Zhang, P. | | 登録日 | 2017-12-21 | | 公開日 | 2019-04-03 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (4.75 Å) | | 主引用文献 | Structures of the PKA RI alpha Holoenzyme with the FLHCC Driver J-PKAc alpha or Wild-Type PKAc alpha.
Structure, 27, 2019
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6WH2
 | | Structure of the C-terminal BRCT domain of human XRCC1 | | 分子名称: | X-ray repair cross complementing protein 1 variant | | 著者 | Pourfarjam, Y, Ellenberger, T, Tainer, J.A, Tomkinson, A.E, Kim, I.K. | | 登録日 | 2020-04-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.414 Å) | | 主引用文献 | An atypical BRCT-BRCT interaction with the XRCC1 scaffold protein compacts human DNA Ligase III alpha within a flexible DNA repair complex.
Nucleic Acids Res., 49, 2021
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3FRX
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1PTZ
 | | Crystal structure of the human CU, Zn Superoxide Dismutase, Familial Amyotrophic Lateral Sclerosis (FALS) Mutant H43R | | 分子名称: | COPPER (I) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ... | | 著者 | DiDonato, M, Craig, L, Huff, M.E, Thayer, M.M, Cardoso, R.M.F, Kassmann, C.J, Lo, T.P, Bruns, C.K, Powers, E.T, Kelly, J.W, Getzoff, E.D, Tainer, J.A. | | 登録日 | 2003-06-23 | | 公開日 | 2003-09-09 | | 最終更新日 | 2021-10-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | ALS Mutants of Human Superoxide Dismutase Form Fibrous Aggregates Via Framework Destabilization
J.Mol.Biol., 332, 2003
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6X4A
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ651), a Non-nucleoside Inhibitor | | 分子名称: | 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | 著者 | Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2020-05-22 | | 公開日 | 2020-07-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.537 Å) | | 主引用文献 | Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site.
Protein Sci., 29, 2020
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6CL8
 | | 2.00 A MicroED structure of proteinase K at 2.6 e- / A^2 | | 分子名称: | Proteinase K | | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | 登録日 | 2018-03-02 | | 公開日 | 2018-05-16 | | 最終更新日 | 2023-10-04 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (2 Å) | | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
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6CLI
 | | 1.01 A MicroED structure of GSNQNNF at 0.17 e- / A^2 | | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | 登録日 | 2018-03-02 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.01 Å) | | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
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6CLR
 | | 1.31 A MicroED structure of GSNQNNF at 3.1 e- / A^2 | | 分子名称: | ACETATE ION, GSNQNNF, ZINC ION | | 著者 | Hattne, J, Shi, D, Glynn, C, Zee, C.-T, Gallagher-Jones, M, Martynowycz, M.W, Rodriguez, J.A, Gonen, T. | | 登録日 | 2018-03-02 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.31 Å) | | 主引用文献 | Analysis of Global and Site-Specific Radiation Damage in Cryo-EM.
Structure, 26, 2018
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1NYK
 | | Crystal Structure of the Rieske protein from Thermus thermophilus | | 分子名称: | FE2/S2 (INORGANIC) CLUSTER, MAGNESIUM ION, Rieske iron-sulfur protein | | 著者 | Hunsicker-Wang, L.M, Heine, A, Chen, Y, Luna, E.P, Todaro, T, Zhang, Y.M, Williams, P.A, McRee, D.E, Hirst, J, Stout, C.D, Fee, J.A. | | 登録日 | 2003-02-12 | | 公開日 | 2003-06-24 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | High resolution structure of the soluble, respiratory-type Rieske protein from Thermus thermophilus: Analysis and Comparison
Biochemistry, 42, 2003
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6VV8
 | | Mycobacterium tuberculosis dihydrofolate reductase in complex with JEB285 | | 分子名称: | 5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-phenyl-1H-pyrazole-4-carboxylic acid, COBALT (II) ION, Dihydrofolate reductase, ... | | 著者 | Ribeiro, J.A, Chavez-Pacheco, S.M, Dias, M.V.B. | | 登録日 | 2020-02-17 | | 公開日 | 2020-07-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.683 Å) | | 主引用文献 | Using a Fragment-Based Approach to Identify Alternative Chemical Scaffolds Targeting Dihydrofolate Reductase fromMycobacterium tuberculosis.
Acs Infect Dis., 6, 2020
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