4UNR
 
 | | Mtb TMK in complex with compound 23 | | 分子名称: | 4-[3-cyano-2-oxo-7-(1H-pyrazol-4-yl)-5,6-dihydro-1H-benzo[h]quinolin-4-yl]benzoic acid, MAGNESIUM ION, Thymidylate kinase | | 著者 | Read, J.A, Hussein, S, Gingell, H, Tucker, J. | | 登録日 | 2014-05-30 | | 公開日 | 2015-06-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structure Guided Lead Generation for M. Tuberculosis Thymidylate Kinase (Mtb Tmk): Discovery of 3-Cyanopyridone and 1,6-Naphthyridin-2-One as Potent Inhibitors.
J.Med.Chem., 58, 2015
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5YUM
 | | Crystallographic structures of IlvN.Val/Ile complexes:Conformational selectivity for feedback inhibition of AHASs | | 分子名称: | Acetolactate synthase isozyme 1 small subunit, COBALT (II) ION, ISOLEUCINE | | 著者 | Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B. | | 登録日 | 2017-11-22 | | 公開日 | 2018-09-19 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.432 Å) | | 主引用文献 | Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases.
Biochemistry, 58, 2019
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5Y28
 | | Crystal structure of H. pylori HtrA with PDZ2 deletion | | 分子名称: | 1,2-ETHANEDIOL, Periplasmic serine endoprotease DegP-like, UNK-UNK-UNK-UNK | | 著者 | Zhang, Z, Huang, Q, Tao, X. | | 登録日 | 2017-07-24 | | 公開日 | 2018-08-15 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (3.08606815 Å) | | 主引用文献 | The unique trimeric assembly of the virulence factor HtrA fromHelicobacter pylorioccurs via N-terminal domain swapping.
J.Biol.Chem., 294, 2019
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6C94
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5Y9B
 | | Crystal structure of Bacillus licheniformis Gamma glutamyl transpeptidase with DON | | 分子名称: | 1,2-ETHANEDIOL, 6-DIAZENYL-5-OXO-L-NORLEUCINE, CALCIUM ION, ... | | 著者 | Goel, M, Kumari, S, Pal, R, Gupta, R. | | 登録日 | 2017-08-24 | | 公開日 | 2018-08-29 | | 最終更新日 | 2025-09-17 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Crystal structure of Bacillus licheniformis Gamma glutamyl transpeptidase with Azaserine
To Be Published
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4UEE
 | | Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Leu-Ala-Y(PO2CH2)-homoPhe-OH | | 分子名称: | (2S)-2-{[(R)-{(1R)-1-[(N-acetyl-L-leucyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid, CARBOXYPEPTIDASE A1, ZINC ION | | 著者 | Gallego, P, Covaleda, G, Costenaro, L, Devel, L, Dive, V, Aviles, F.X, Reverter, D. | | 登録日 | 2014-12-17 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Crystal Structure of the Human Carboxypeptidase A1 in Complex with Phosphinic Inhibitors
To be Published
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5KGZ
 | | Phenol-soluble modulin Beta2 | | 分子名称: | Modulin Beta2 | | 著者 | Towle, K.M, Lohans, C.T, Acedo, J.Z, Van Belkum, M.J, Miskolzie, M, Vederas, J.C. | | 登録日 | 2016-06-13 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Solution Structures of Phenol-Soluble Modulins alpha 1, alpha 3, and beta 2, Virulence Factors from Staphylococcus aureus.
Biochemistry, 55, 2016
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5K5M
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6S1I
 | | Crystal Structure of DYRK1A with small molecule inhibitor | | 分子名称: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, TETRAETHYLENE GLYCOL, ... | | 著者 | Sorrell, F.J, Henderson, S.H, Redondo, C, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Elkins, J.M. | | 登録日 | 2019-06-18 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | | 主引用文献 | Mining Public Domain Data to Develop Selective DYRK1A Inhibitors.
Acs Med.Chem.Lett., 11, 2020
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5K6I
 | | Crystal structure of prefusion-stabilized RSV F single-chain 9-10 DS-Cav1 A149C-Y458C, S46G-E92D-S215P-K465Q variant. | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0, ... | | 著者 | Joyce, M.G, Zhang, B, Mascola, J.R, Kwong, P.D. | | 登録日 | 2016-05-24 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | | 主引用文献 | Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV.
Nat.Struct.Mol.Biol., 23, 2016
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6IRY
 | | Crystal structure of the zebrafish cap-specific adenosine methyltransferase bound to SAH | | 分子名称: | 1,2-ETHANEDIOL, PDX1 C-terminal-inhibiting factor 1, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Hirano, S, Nishimasu, H, Ishitani, R, Nureki, O. | | 登録日 | 2018-11-14 | | 公開日 | 2018-12-05 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Cap-specific terminal N 6 -methylation of RNA by an RNA polymerase II-associated methyltransferase.
Science, 363, 2019
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5COZ
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2VRI
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7C3U
 | | Crystal structure of NE0047 (N66A) mutant in complex with 8-azaguanine | | 分子名称: | 1,2-ETHANEDIOL, 5-AMINO-1H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-7-OL, Cytidine and deoxycytidylate deaminase zinc-binding region, ... | | 著者 | Gaded, V, Bitra, A, Singh, J, Anand, R. | | 登録日 | 2020-05-14 | | 公開日 | 2021-05-26 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Structure guided mutagenesis reveals the substrate determinants of guanine deaminase.
J.Struct.Biol., 213, 2021
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6RGR
 | | Photorhabdus asymbiotica lectin PHL in complex with L-rhamnose | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lectin PHL, ... | | 著者 | Houser, J, Fujdiarova, E, Jancarikova, G, Wimmerova, M. | | 登録日 | 2019-04-17 | | 公開日 | 2020-07-01 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Heptabladed beta-propeller lectins PLL2 and PHL from Photorhabdus spp. recognize O-methylated sugars and influence the host immune system.
Febs J., 288, 2021
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5GNU
 | | the structure of mini-MFN1 apo | | 分子名称: | Mitofusin-1 | | 著者 | Yan, L, Yu, C, Ming, Z, Lou, Z, Rao, Z, Lou, J. | | 登録日 | 2016-07-25 | | 公開日 | 2016-11-23 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (4.113 Å) | | 主引用文献 | BDLP-like folding of Mitofusin 1
To Be Published
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4UDD
 | | GR in complex with desisobutyrylciclesonide | | 分子名称: | 1,2-ETHANEDIOL, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, DESISOBUYTYRYL CICLESONIDE, ... | | 著者 | Edman, K, Hogner, A, Hussein, A, Bjursell, M, Aagaard, A, Backstrom, S, Bodin, C, Wissler, L, Jellesmark-Jensen, T, Cavallin, A, Karlsson, U, Nilsson, E, Lecina, D, Takahashi, R, Grebner, C, Lepisto, M, Guallar, V. | | 登録日 | 2014-12-09 | | 公開日 | 2015-11-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints.
Structure, 23, 2015
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5ZI9
 | | Crystal structure of type-II LOG from Streptomyces coelicolor A3 | | 分子名称: | 1,2-ETHANEDIOL, CITRATE ANION, Cytokinin riboside 5'-monophosphate phosphoribohydrolase, ... | | 著者 | Seo, H, Kim, K.-J. | | 登録日 | 2018-03-14 | | 公開日 | 2018-04-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural and biochemical characterization of the type-II LOG protein from Streptomyces coelicolor A3.
Biochem. Biophys. Res. Commun., 499, 2018
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7FBV
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5C3O
 | | Crystal structure of the C-terminal truncated Neurospora crassa T7H (NcT7HdeltaC) in apo form | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Thymine dioxygenase | | 著者 | Li, W, Zhang, T, Ding, J. | | 登録日 | 2015-06-17 | | 公開日 | 2015-10-21 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi
Nucleic Acids Res., 43, 2015
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6J5I
 | | Cryo-EM structure of the mammalian DP-state ATP synthase | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase F1 subunit epsilon, ... | | 著者 | Gu, J, Zhang, L, Yi, J, Yang, M. | | 登録日 | 2019-01-11 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.34 Å) | | 主引用文献 | Cryo-EM structure of the mammalian ATP synthase tetramer bound with inhibitory protein IF1.
Science, 364, 2019
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168L
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5ZQK
 | | Dengue Virus Non Structural Protein 5 | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, MAGNESIUM ION, ... | | 著者 | El Sahili, A, Soh, T.S, Schiltz, J, Gharbi-Ayachi, A, Goh, B.C, Seh, C.C, Dedon, P.C, Shi, P.Y, Lim, S.P, Lescar, J. | | 登録日 | 2018-04-19 | | 公開日 | 2019-06-12 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | NS5 from Dengue Virus Serotype 2 Can Adopt a Conformation Analogous to That of Its Zika Virus and Japanese Encephalitis Virus Homologues.
J.Virol., 94, 2019
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5LHP
 | | The p-aminobenzamidine active site inhibited catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7 | | 分子名称: | 1,2-ETHANEDIOL, Camelid-Derived Antibody Fragment, P-AMINO BENZAMIDINE, ... | | 著者 | Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A. | | 登録日 | 2016-07-12 | | 公開日 | 2017-06-28 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.63 Å) | | 主引用文献 | Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
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5ZH3
 | | CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-6 | | 分子名称: | (3S)-6,8-dihydroxy-3-{[(2R,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, LYSINE, Lysine-tRNA ligase | | 著者 | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | | 登録日 | 2018-03-11 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite
J. Med. Chem., 61, 2018
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