4ZO1
 
 | | Crystal Structure of the T3-bound TR-beta Ligand-binding Domain in complex with RXR-alpha | | 分子名称: | 3,5,3'TRIIODOTHYRONINE, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha, ... | | 著者 | Bruning, J.B, Kojetin, D.J, Matta-Camacho, E, Hughes, T.S, Srinivasan, S, Nwachukwu, J.C, Cavett, V, Nowak, J, Chalmers, M.J, Marciano, D.P, Kamenecka, T.M, Rance, M, Shulman, A.I, Mangelsdorf, D.J, Griffin, P.R, Nettles, K.W. | | 登録日 | 2015-05-05 | | 公開日 | 2015-09-02 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (3.221 Å) | | 主引用文献 | Structural mechanism for signal transduction in RXR nuclear receptor heterodimers.
Nat Commun, 6, 2015
|
|
4ZPF
 | |
4ZL9
 | |
4ZPG
 | |
5A4E
 | | DYRK1A in complex with methoxy benzothiazole fragment | | 分子名称: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A, N-(5-methoxy-1,3-benzothiazol-2-yl)ethanamide | | 著者 | Rothweiler, U. | | 登録日 | 2015-06-08 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | | 主引用文献 | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules
J.Med.Chem., 59, 2016
|
|
4ZU5
 | | Crystal structure of the QdtA 3,4-Ketoisomerase from Thermoanaerobacterium thermosaccharolyticum, apo form | | 分子名称: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, QdtA, THYMIDINE | | 著者 | Thoden, J.B, Vinogradov, E, Gilbert, M, Salinger, A.J, Holden, H.M. | | 登録日 | 2015-05-15 | | 公開日 | 2016-03-30 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Bacterial Sugar 3,4-Ketoisomerases: Structural Insight into Product Stereochemistry.
Biochemistry, 54, 2015
|
|
5AAY
 | | TBK1 recruitment to cytosol-invading Salmonella induces anti- bacterial autophagy | | 分子名称: | NF-KAPPA-B ESSENTIAL MODULATOR, ZINC ION | | 著者 | Thurston, T.l, Allen, M.D, Ravenhill, B, Karpiyevitch, M, Bloor, S, Kaul, A, Matthews, S, Komander, D, Holden, D, Bycroft, M, Randow, F. | | 登録日 | 2015-07-31 | | 公開日 | 2016-07-13 | | 最終更新日 | 2024-05-15 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Recruitment of Tbk1 to Cytosol-Invading Salmonella Induces Wipi2-Dependent Antibacterial Autophagy.
Embo J., 35, 2016
|
|
5A20
 | | Structure of bacteriophage SPP1 head-to-tail interface filled with DNA and tape measure protein | | 分子名称: | 15 PROTEIN, HEAD COMPLETION PROTEIN GP16, MAJOR TAIL PROTEIN GP17.1, ... | | 著者 | Chaban, Y, Lurz, R, Brasiles, S, Cornilleau, C, Karreman, M, Zinn-Justin, S, Tavares, P, Orlova, E.V. | | 登録日 | 2015-05-06 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (7.6 Å) | | 主引用文献 | Structural Rearrangements in the Phage Head-to-Tail Interface During Assembly and Infection.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
5AC8
 | | S. enterica HisA with mutations D10G, dup13-15, G102A | | 分子名称: | 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, SULFATE ION | | 著者 | Newton, M, Guo, X, Soderholm, A, Nasvall, J, Andersson, D, Patrick, W, Selmer, M. | | 登録日 | 2015-08-12 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.699 Å) | | 主引用文献 | Structural and functional innovations in the real-time evolution of new ( beta alpha )8 barrel enzymes.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
5ADY
 | | Cryo-EM structures of the 50S ribosome subunit bound with HflX | | 分子名称: | 23S RRNA, 50S RIBOSOMAL PROTEIN L1, 50S RIBOSOMAL PROTEIN L10, ... | | 著者 | Zhang, Y, Mandava, C.S, Cao, W, Li, X, Zhang, D, Li, N, Zhang, Y, Zhang, X, Qin, Y, Mi, K, Lei, J, Sanyal, S, Gao, N. | | 登録日 | 2015-08-25 | | 公開日 | 2015-10-14 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (4.5 Å) | | 主引用文献 | Hflx is a Ribosome Splitting Factor Rescuing Stalled Ribosomes Under Stress Conditions
Nat.Struct.Mol.Biol., 22, 2015
|
|
4ZXP
 | | Crystal structure of Peptidyl- tRNA Hydrolase from Vibrio cholerae | | 分子名称: | CITRATE ANION, Peptidyl-tRNA hydrolase | | 著者 | Shahid, S, Pal, R.K, Kabra, A, Yadav, R, Kumar, A, Arora, A. | | 登録日 | 2015-05-20 | | 公開日 | 2016-06-22 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Unraveling the stereochemical and dynamic aspects of the catalytic site of bacterial peptidyl-tRNA hydrolase.
RNA, 23, 2017
|
|
4ZU7
 | | X-ray structure if the QdtA 3,4-ketoisomerase from Thermoanaerobacterium thermosaccharolyticum, double mutant Y17R/R97H, in complex with TDP | | 分子名称: | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, QdtA, THYMIDINE-5'-DIPHOSPHATE | | 著者 | Thoden, J.B, Vinogradov, E, Gilbert, M, Salinger, A.J, Holden, H.M. | | 登録日 | 2015-05-15 | | 公開日 | 2015-07-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Bacterial Sugar 3,4-Ketoisomerases: Structural Insight into Product Stereochemistry.
Biochemistry, 54, 2015
|
|
5A4L
 | | DYRK1A IN COMPLEX WITH FLUORO BENZOTHIAZOLE FRAGMENT | | 分子名称: | DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION- REGULATED KINASE 1A, N-(5-FLUORANYL-1,3-BENZOTHIAZOL-2-YL)ETHANAMIDE | | 著者 | Rothweiler, U. | | 登録日 | 2015-06-10 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.73 Å) | | 主引用文献 | Probing the ATP-Binding Pocket of Protein Kinase Dyrk1A with Benzothiazole Fragment Molecules
J.Med.Chem., 59, 2016
|
|
5UTJ
 | | Crystal Structure of TGT in complex with 2,6-dioxy-8-azapurine, 2,6-dioxy-8-azapurine, 2,6-dioxy-8-azapurine | | 分子名称: | 8-AZAXANTHINE, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Hassaan, E, Heine, A, Klebe, G. | | 登録日 | 2017-02-15 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.549 Å) | | 主引用文献 | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
|
|
5N6F
 | | Crystal structure of TGT in complex with guanine fragment | | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, GUANINE, ... | | 著者 | Hassaan, E, Heine, A, Klebe, G. | | 登録日 | 2017-02-15 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.11909521 Å) | | 主引用文献 | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
|
|
3JVY
 | | HIV-1 Protease Mutant G86A with DARUNAVIR | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, Gag-Pol polyprotein, ... | | 著者 | Tie, Y, Weber, I.T. | | 登録日 | 2009-09-17 | | 公開日 | 2009-12-08 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Highly conserved glycine 86 and arginine 87 residues contribute differently to the structure and activity of the mature HIV-1 protease
Proteins, 78, 2009
|
|
3JVW
 | | HIV-1 Protease Mutant G86A with symmetric inhibitor DMP323 | | 分子名称: | Gag-Pol polyprotein, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE | | 著者 | Tie, Y, Weber, I.T. | | 登録日 | 2009-09-17 | | 公開日 | 2009-12-08 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Highly conserved glycine 86 and arginine 87 residues contribute differently to the structure and activity of the mature HIV-1 protease
Proteins, 78, 2009
|
|
3JW2
 | | HIV-1 Protease Mutant G86S with DARUNAVIR | | 分子名称: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, Gag-Pol polyprotein, ... | | 著者 | Tie, Y, Weber, I.T. | | 登録日 | 2009-09-17 | | 公開日 | 2009-12-08 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Highly conserved glycine 86 and arginine 87 residues contribute differently to the structure and activity of the mature HIV-1 protease
Proteins, 78, 2009
|
|
5SW3
 | | Crystal Structure of TGT in complex with 3-Pyridinecarboxylic acid, 6-(dimethylamino) | | 分子名称: | 6-(dimethylamino)pyridine-3-carboxylic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | 著者 | Hassaan, E, Heine, A, Klebe, G. | | 登録日 | 2016-08-08 | | 公開日 | 2017-07-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
|
|
5V3C
 | | Crystal structure of TGT in complex with 4-(aminomethane)cyclohexane-1-carboxylic acid | | 分子名称: | DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, Queuine tRNA-ribosyltransferase, ... | | 著者 | Hassaan, E, Heine, A, Klebe, G. | | 登録日 | 2017-03-07 | | 公開日 | 2018-05-16 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.419 Å) | | 主引用文献 | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
|
|
7ZOT
 | |
5UTI
 | | Crystal Structure of TGT in complex with fragment in preQ1 pocket | | 分子名称: | DIMETHYL SULFOXIDE, L-CANAVANINE, Queuine tRNA-ribosyltransferase, ... | | 著者 | Hassaan, E, Heine, A, Klebe, G. | | 登録日 | 2017-02-15 | | 公開日 | 2018-03-07 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.36 Å) | | 主引用文献 | Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
|
|
8BRO
 | | Structure of the N-terminal domain of BC2L-C lectin (1-131) in complex with a synthetic beta-fucosylamide | | 分子名称: | 5-[3-(aminomethyl)phenyl]-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide, Lectin | | 著者 | Varrot, A, Lunstrom, J. | | 登録日 | 2022-11-23 | | 公開日 | 2023-02-08 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Identification of New L-Fucosyl and L-Galactosyl Amides as Glycomimetic Ligands of TNF Lectin Domain of BC2L-C from Burkholderia cenocepacia.
Molecules, 28, 2023
|
|
8BOG
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 7 | | 分子名称: | Ephrin type-A receptor 2, ~{N}-[4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide | | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | 登録日 | 2022-11-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.47 Å) | | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
|
|
8BOM
 | | Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 14 | | 分子名称: | Ephrin type-A receptor 2, ~{N}-(3-methoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide | | 著者 | Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H. | | 登録日 | 2022-11-15 | | 公開日 | 2023-03-08 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
|
|
