2MQF
 
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2MTU
 | | Non-reducible analogues of alpha-conotoxin RgIA: [3,12]-trans dicarba RgIA | | 分子名称: | Dicarba Analogues of alpha-Conotoxin RgIA | | 著者 | Chhabra, S, Robinson, S.D, Norton, R.S. | | 登録日 | 2014-09-01 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Dicarba Analogues of alpha-Conotoxin RgIA. Structure, Stability, and Activity at Potential Pain Targets.
J.Med.Chem., 57, 2014
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4YO9
 | | HKU4 3CLpro unbound structure | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3C-like proteinase, ACETATE ION, ... | | 著者 | St John, S.E, Mesecar, A. | | 登録日 | 2015-03-11 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS).
Bioorg.Med.Chem., 23, 2015
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5CHM
 | | CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with ceftazidime BATSI (LP06) | | 分子名称: | ACETATE ION, Beta-lactamase, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, ... | | 著者 | Malashkevich, V.N, Toro, R, Lefurgy, S, Almo, S.C. | | 登録日 | 2015-07-10 | | 公開日 | 2016-08-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structures of FOX-4 Cephamycinase in Complex with Transition-State Analog Inhibitors.
Biomolecules, 10, 2020
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2MPU
 | | Structural and Functional analysis of the Hordeum vulgare L. HvGR-RBP1 protein, a glycine-rich RNA binding protein implicated in the regulation of barley leaf senescence and environmental adaptation | | 分子名称: | RBP1 | | 著者 | Mason, K.E, Tripet, B.P, Eilers, B.J, Powell, P, Fischer, A.M, Copie, V. | | 登録日 | 2014-06-02 | | 公開日 | 2014-12-17 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural and Biochemical Analysis of the Hordeum vulgare L. HvGR-RBP1 Protein, a Glycine-Rich RNA-Binding Protein Involved in the Regulation of Barley Plant Development and Stress Response.
Biochemistry, 53, 2014
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5CLM
 | | 1,4-Oxazine BACE1 inhibitors | | 分子名称: | Beta-secretase 1, CHLORIDE ION, IODIDE ION, ... | | 著者 | Rombouts, F, Tresadern, G, Delgado, O, Martinez Lamenca, C, Van Gool, M, Garcia-Molina, A, Alonso De Diego, S, Oehlrich, D, Prokopcova, H, Alonso, J.M, Austin, N, Borghys, H, Van Brandt, S, Surkyn, M, De Cleyn, M, Vos, A, Alexander, R, MacDonald, G, Moechars, D, Trabanco, A, Gijsen, H. | | 登録日 | 2015-07-16 | | 公開日 | 2015-09-30 | | 最終更新日 | 2015-11-04 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | 1,4-Oxazine beta-Secretase 1 (BACE1) Inhibitors: From Hit Generation to Orally Bioavailable Brain Penetrant Leads.
J.Med.Chem., 58, 2015
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5CLS
 | | Structure of human methionine aminopeptidase-2 complexed with spiroepoxytriazole inhibitor (+)-31a | | 分子名称: | (4R,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate, CHLORIDE ION, CITRIC ACID, ... | | 著者 | Janowski, R, Miller, A.K, Niessing, D. | | 登録日 | 2015-07-16 | | 公開日 | 2016-01-13 | | 最終更新日 | 2019-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Spiroepoxytriazoles Are Fumagillin-like Irreversible Inhibitors of MetAP2 with Potent Cellular Activity.
Acs Chem.Biol., 11, 2016
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2N2R
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4YNB
 | | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with pyrazinylthio-DADMe-Immucillin-A | | 分子名称: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | | 登録日 | 2015-03-09 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
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4YOJ
 | | HKU4 3CLpro bound to non-covalent inhibitor 2A | | 分子名称: | 3C-like proteinase, ACETATE ION, FORMIC ACID, ... | | 著者 | St John, S.E, Mesecar, A. | | 登録日 | 2015-03-11 | | 公開日 | 2015-08-05 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS).
Bioorg.Med.Chem., 23, 2015
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2MXM
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3WPM
 | | Crystal structure of the anaerobic DesB-gallate complex by co-crystallization | | 分子名称: | 3,4,5-trihydroxybenzoic acid, FE (III) ION, Gallate dioxygenase | | 著者 | Sugimoto, K, Senda, M, Kasai, D, Fukuda, M, Masai, E, Senda, T. | | 登録日 | 2014-01-14 | | 公開日 | 2014-04-30 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Molecular Mechanism of Strict Substrate Specificity of an Extradiol Dioxygenase, DesB, Derived from Sphingobium sp. SYK-6
Plos One, 9, 2014
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5BZZ
 | | Crystal structure of human phosphatase PTEN in its reduced state | | 分子名称: | L(+)-TARTARIC ACID, Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN | | 著者 | Lee, C.-U, Bier, D, Hennig, S, Grossmann, T.N. | | 登録日 | 2015-06-11 | | 公開日 | 2015-10-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Redox Modulation of PTEN Phosphatase Activity by Hydrogen Peroxide and Bisperoxidovanadium Complexes.
Angew.Chem.Int.Ed.Engl., 54, 2015
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4YRP
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5C1S
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4YUZ
 | | Crystal structure of Trypanosoma cruzi spermidine synthase in complex with 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine | | 分子名称: | 5'-[(S)-(3-AMINOPROPYL)(METHYL)-LAMBDA~4~-SULFANYL]-5'-DEOXYADENOSINE, 5-[(4-methylbenzyl)oxy]quinazoline-2,4-diamine, Spermidine synthase, ... | | 著者 | Amano, Y, Tateishi, Y. | | 登録日 | 2015-03-19 | | 公開日 | 2015-09-09 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Structural insights into the novel inhibition mechanism of Trypanosoma cruzi spermidine synthase.
Acta Crystallogr.,Sect.D, 71, 2015
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5CEN
 | | Crystal structure of DLK (kinase domain) | | 分子名称: | Mitogen-activated protein kinase kinase kinase 12 | | 著者 | HARRIS, S.F, YIN, J. | | 登録日 | 2015-07-07 | | 公開日 | 2015-10-14 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
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4YUV
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5CG1
 | | Crystal structure of E. coli FabI bound to the carbamoylated benzodiazaborine inhibitor 14b. | | 分子名称: | 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carboxamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Jordan, C.A, Vey, J.L. | | 登録日 | 2015-07-09 | | 公開日 | 2015-12-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Crystallographic insights into the structure-activity relationships of diazaborine enoyl-ACP reductase inhibitors.
Acta Crystallogr.,Sect.F, 71, 2015
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2MTT
 | | Non-reducible analogues of alpha-conotoxin RgIA: [3,12]-cis dicarba RgIA | | 分子名称: | Dicarba Analogues of alpha-Conotoxin RgIA | | 著者 | Chhabra, S, Robinson, S.D, Norton, R.S. | | 登録日 | 2014-08-31 | | 公開日 | 2014-11-26 | | 最終更新日 | 2023-12-27 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Dicarba Analogues of alpha-Conotoxin RgIA. Structure, Stability, and Activity at Potential Pain Targets.
J.Med.Chem., 57, 2014
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2N2Q
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5CMZ
 | | Artificial HIV fusion inhibitor AP3 fused to the C-terminus of gp41 NHR | | 分子名称: | 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, Artificial HIV entry inhibitor AP3, ... | | 著者 | Zhu, Y, Ye, S, Zhang, R. | | 登録日 | 2015-07-17 | | 公開日 | 2015-09-16 | | 実験手法 | X-RAY DIFFRACTION (2.574 Å) | | 主引用文献 | Improved Pharmacological and Structural Properties of HIV Fusion Inhibitor AP3 over Enfuvirtide: Highlighting Advantages of Artificial Peptide Strategy.
Sci Rep, 5, 2015
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5C3T
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5C4S
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4YRO
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