5M39
 
 | | Crystal structure of BRD4 BROMODOMAIN 1 IN COMPLEX WITH LIGAND 1 | | 分子名称: | 6-(3,4-dimethoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4 | | 著者 | Kessler, D, Mayer, M, Engelhardt, H, Wolkerstorfer, B, Geist, L. | | 登録日 | 2016-10-14 | | 公開日 | 2017-09-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Direct NMR Probing of Hydration Shells of Protein Ligand Interfaces and Its Application to Drug Design.
J. Med. Chem., 60, 2017
|
|
8GF5
 | | McrD binds asymmetrically to methyl-coenzyme M reductase improving active site accessibility during assembly | | 分子名称: | 1-THIOETHANESULFONIC ACID, Coenzyme B, FACTOR 430, ... | | 著者 | Joiner, A.M.N, Chadwick, G.L, Nayak, D.D. | | 登録日 | 2023-03-07 | | 公開日 | 2023-06-28 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | McrD binds asymmetrically to methyl-coenzyme M reductase improving active-site accessibility during assembly.
Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
5LSX
 | | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | | 分子名称: | Histone-lysine N-methyltransferase SETD2, ZINC ION, [(2~{R},5~{S})-1-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-azaniumyl-6-oxidanyl-6-oxidanylidene-hexan-2-yl]-(phenylmethyl)azanium | | 著者 | Tisi, D, Pathuri, P, Heightman, T. | | 登録日 | 2016-09-05 | | 公開日 | 2016-10-05 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
|
|
5LTZ
 | | GmhA_mutant Q175E | | 分子名称: | 1,2-ETHANEDIOL, D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Vivoli, M, Harmer, N.J. | | 登録日 | 2016-09-07 | | 公開日 | 2017-12-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | A half-site multimeric enzyme achieves its cooperativity without conformational changes.
Sci Rep, 7, 2017
|
|
5LRD
 | | Crystal structure of Glycogen Phosphorylase b in complex with KS242 | | 分子名称: | (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | 著者 | Kantsadi, A.L, Leonidas, D.D. | | 登録日 | 2016-08-18 | | 公開日 | 2017-06-14 | | 最終更新日 | 2025-04-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | van der Waals interactions govern C-beta-d-glucopyranosyl triazoles' nM inhibitory potency in human liver glycogen phosphorylase.
J. Struct. Biol., 199, 2017
|
|
1W3L
 | | ENDOGLUCANASE CEL5A FROM BACILLUS AGARADHAERENS IN COMPLEX WITH CELLOTRI DERIVED-TETRAHYDROOXAZINE | | 分子名称: | ENDOGLUCANASE 5A, GLYCEROL, SULFATE ION, ... | | 著者 | Gloster, T.M, Macdonald, J.M, Tarling, C.A, Stick, R.V, Withers, S.W, Davies, G.J. | | 登録日 | 2004-07-16 | | 公開日 | 2004-09-08 | | 最終更新日 | 2025-10-01 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | Structural, Thermodynamic, and Kinetic Analyses of Tetrahydrooxazine-Derived Inhibitors Bound to {Beta}-Glucosidases
J.Biol.Chem., 279, 2004
|
|
5LYW
 | | CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX; WITH AN INHIBITOR 6-((R)-2-o-Tolyloxymethyl-pyrrolidin-1-yl)-9H-purine | | 分子名称: | 6-[(2~{R})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{H}-purine, MANGANESE (II) ION, Methionine aminopeptidase 2 | | 著者 | Musil, D, Heinrich, T, Knoechel, T, Lehmann, M. | | 登録日 | 2016-09-28 | | 公開日 | 2017-08-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Novel reversible methionine aminopeptidase-2 (MetAP-2) inhibitors based on purine and related bicyclic templates.
Bioorg. Med. Chem. Lett., 27, 2017
|
|
7O77
 | | Structure of the PL6 family alginate lyase Patl3640 from Pseudoalteromonas atlantica T6c | | 分子名称: | GLYCEROL, Poly(Beta-D-mannuronate) lyase | | 著者 | Ballut, L, Violot, S, Carrique, L, Aghajari, N. | | 登録日 | 2021-04-13 | | 公開日 | 2021-07-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.321 Å) | | 主引用文献 | Exploring molecular determinants of polysaccharide lyase family 6-1 enzyme activity.
Glycobiology, 31, 2021
|
|
5LSY
 | | Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives | | 分子名称: | Histone-lysine N-methyltransferase SETD2, THIOCYANATE ION, ZINC ION, ... | | 著者 | Tisi, D, Pathuri, P, Heightman, T. | | 登録日 | 2016-09-05 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.62 Å) | | 主引用文献 | Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016
|
|
7ODA
 | | OXA-48-like Beta-lactamase OXA-436 | | 分子名称: | 1,2-ETHANEDIOL, Beta-lactamase, CHLORIDE ION | | 著者 | Lund, B.A, Thomassen, A.M, Carlsen, T.J.W, Leiros, H.K.S. | | 登録日 | 2021-04-29 | | 公開日 | 2021-09-08 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.796 Å) | | 主引用文献 | Biochemical and biophysical characterization of the OXA-48-like carbapenemase OXA-436.
Acta Crystallogr.,Sect.F, 77, 2021
|
|
5LSS
 | |
8GLB
 | | Selenomethionine Derivatized Citrate Synthase (CitA) in Mycobacterium tuberculosis with Pyruvate | | 分子名称: | 1,2-ETHANEDIOL, PYRUVIC ACID, citrate synthase | | 著者 | Pathirage, R, Ronning, D, Favrot, L. | | 登録日 | 2023-03-21 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
|
|
8GMK
 | | Pyruvate bound structure of Citrate Synthase (CitA) in Mycobacterium Tuberculosis | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PYRUVIC ACID, ... | | 著者 | Pathirage, R, Ronning, D, Yamsek, M. | | 登録日 | 2023-03-26 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Mycobacterium tuberculosis CitA activity is modulated by cysteine oxidation and pyruvate binding.
Rsc Med Chem, 14, 2023
|
|
7N8W
 | |
7NU3
 | | Crystal Structure of Neisseria gonorrhoeae LeuRS E169G mutant in Complex with ATP and L-leucinol | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-4-METHYL-PENTAN-1-OL, ADENOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Pang, L, Strelkov, S.V, Weeks, S.D. | | 登録日 | 2021-03-11 | | 公開日 | 2022-08-31 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Partitioning of the initial catalytic steps of leucyl-tRNA synthetase is driven by an active site peptide-plane flip.
Commun Biol, 5, 2022
|
|
5LL4
 | |
5LXS
 | | Tubulin-KS-1-199-32 complex | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Prota, A.E, Steinmetz, M.O. | | 登録日 | 2016-09-22 | | 公開日 | 2017-09-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural Basis of Microtubule Stabilization by Discodermolide.
Chembiochem, 18, 2017
|
|
5VTU
 | |
1J6O
 | |
8FUT
 | |
8FUU
 | |
7ODC
 | | CRYSTAL STRUCTURE ORNITHINE DECARBOXYLASE FROM MOUSE, TRUNCATED 37 RESIDUES FROM THE C-TERMINUS, TO 1.6 ANGSTROM RESOLUTION | | 分子名称: | PROTEIN (ORNITHINE DECARBOXYLASE), PYRIDOXAL-5'-PHOSPHATE | | 著者 | Kern, A.D, Oliveira, M.A, Coffino, P, Hackert, M.L. | | 登録日 | 1999-03-03 | | 公開日 | 1999-10-22 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure of mammalian ornithine decarboxylase at 1.6 A resolution: stereochemical implications of PLP-dependent amino acid decarboxylases.
Structure Fold.Des., 7, 1999
|
|
5M1E
 | | Crystal structure of N-terminally tagged UbiD from E. coli reconstituted with prFMN cofactor | | 分子名称: | (16~{R})-11,12,14,14-tetramethyl-3,5-bis(oxidanylidene)-8-[(2~{S},3~{S},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1,4,6,8-tetrazatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-2(7),9(17),10,12-tetraene-16-sulfonic acid, 3-octaprenyl-4-hydroxybenzoate carboxy-lyase, MANGANESE (II) ION, ... | | 著者 | Marshall, S.A, Leys, D. | | 登録日 | 2016-10-07 | | 公開日 | 2017-01-11 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.62 Å) | | 主引用文献 | Oxidative Maturation and Structural Characterization of Prenylated FMN Binding by UbiD, a Decarboxylase Involved in Bacterial Ubiquinone Biosynthesis.
J. Biol. Chem., 292, 2017
|
|
4USK
 | | Unravelling the B. pseudomallei heptokinase WcbL: from Structure to Drug Discovery. | | 分子名称: | CHLORIDE ION, DIMETHYL SULFOXIDE, PUTATIVE SUGAR KINASE, ... | | 著者 | Vivoli, M, Isupov, M.N, Nicholas, R, Hill, A, Scott, A, Kosma, P, Prior, J, Harmer, N.J. | | 登録日 | 2014-07-09 | | 公開日 | 2016-01-13 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Unraveling the B.Pseudomallei Heptokinase Wcbl: From Structure to Drug Discovery.
Chem.Biol., 22, 2015
|
|
7OAJ
 | | Crystal structure of pseudokinase CASK in complex with compound 7 | | 分子名称: | 1,2-ETHANEDIOL, 4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide, Peripheral plasma membrane protein CASK | | 著者 | Chaikuad, A, Russ, N, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2021-04-19 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase.
J.Med.Chem., 64, 2021
|
|
