5TXY
 
 | | Identification of a New Zinc Binding Chemotype of by Fragment Screening on human carbonic anhydrase | | 分子名称: | (5R)-5-phenyl-1,3-oxazolidine-2,4-dione, Carbonic anhydrase 2, FORMIC ACID, ... | | 著者 | Ren, B, Peat, T.S, Poulsen, S.-A. | | 登録日 | 2016-11-17 | | 公開日 | 2017-08-30 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.206 Å) | | 主引用文献 | Identification of a New Zinc Binding Chemotype by Fragment Screening.
J. Med. Chem., 60, 2017
|
|
6GDR
 | | DNA binding with a minimal scaffold: Structure-function analysis of Lig E DNA ligases | | 分子名称: | ADENOSINE MONOPHOSPHATE, DNA, DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ... | | 著者 | Williamson, A, Grigic, M, Leiros, H.K.S. | | 登録日 | 2018-04-24 | | 公開日 | 2018-07-25 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | DNA binding with a minimal scaffold: structure-function analysis of Lig E DNA ligases.
Nucleic Acids Res., 46, 2018
|
|
5INZ
 | | Racemic structure of baboon theta defensin-2 | | 分子名称: | 1,2-ETHANEDIOL, SULFATE ION, Theta defensin-2, ... | | 著者 | Wang, C.K, King, G.J, Conibear, A.C, Ramos, M.C, Craik, D.J. | | 登録日 | 2016-03-08 | | 公開日 | 2016-04-27 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.447 Å) | | 主引用文献 | Mirror Images of Antimicrobial Peptides Provide Reflections on Their Functions and Amyloidogenic Properties.
J.Am.Chem.Soc., 138, 2016
|
|
5TYV
 | | DNA Polymerase Mu Reactant Complex, Mn2+ (7.5 min) | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ... | | 著者 | Jamsen, J.A, Wilson, S.H. | | 登録日 | 2016-11-21 | | 公開日 | 2017-08-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.
Nat Commun, 8, 2017
|
|
7YXO
 | | Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment | | 分子名称: | 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, ... | | 著者 | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | 登録日 | 2022-02-16 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.99 Å) | | 主引用文献 | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
|
|
5I11
 | |
7YXN
 | | Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment | | 分子名称: | Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, FORMIC ACID, ... | | 著者 | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | 登録日 | 2022-02-16 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.46 Å) | | 主引用文献 | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities.
Nucleic Acids Res., 50, 2022
|
|
6MX9
 | | Lysozyme bound to 3-Aminophenol | | 分子名称: | 1,2-ETHANEDIOL, 3-aminophenol, BENZAMIDINE, ... | | 著者 | Blackburn, A, Partowmah, S.H, Brennan, H.M, Mestizo, K.E, Stivala, C.D, Petreczky, J, Perez, A, Horn, A, McSweeney, S. | | 登録日 | 2018-10-30 | | 公開日 | 2018-12-26 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | A simple technique to improve microcrystals using gel exclusion of nucleation inducing elements
To Be Published
|
|
7KP9
 | | asymmetric hTNF-alpha | | 分子名称: | 1-{[2-(difluoromethoxy)phenyl]methyl}-2-methyl-6-[6-(piperazin-1-yl)pyridin-3-yl]-1H-benzimidazole, Tumor necrosis factor | | 著者 | Arakaki, T.L, Abendroth, J, Fairman, J.W, Foley, A, Ceska, T. | | 登録日 | 2020-11-10 | | 公開日 | 2021-01-13 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Structural insights into the disruption of TNF-TNFR1 signalling by small molecules stabilising a distorted TNF.
Nat Commun, 12, 2021
|
|
6G8O
 | |
5IQZ
 | |
7KZN
 | | Outer dynein arm core subcomplex from C. reinhardtii | | 分子名称: | DC1, DC2, Dynein 11 kDa light chain, ... | | 著者 | Walton, T, Wu, H, Brown, A.B. | | 登録日 | 2020-12-10 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | Structure of a microtubule-bound axonemal dynein.
Nat Commun, 12, 2021
|
|
6TNB
 | | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41 | | 分子名称: | (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK | | 著者 | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | | 登録日 | 2019-12-06 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase.
J.Med.Chem., 63, 2020
|
|
3MNR
 | | Crystal Structure of Benzamide SNX-1321 bound to Hsp90 | | 分子名称: | 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide, Heat shock protein HSP 90-alpha | | 著者 | Veal, J.M, Fadden, P, Huang, K.H, Rice, J, Hall, S.E, Haytstead, T.A. | | 登録日 | 2010-04-22 | | 公開日 | 2010-08-11 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Application of Chemoproteomics to Drug Discovery: Identification of a Clinical Candidate Targeting Hsp90.
Chem.Biol., 17, 2010
|
|
1BA8
 | | THROMBIN INHIBITOR WITH A RIGID TRIPEPTIDYL ALDEHYDES | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUGEN, THROMBIN, ... | | 著者 | Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K. | | 登録日 | 1998-04-23 | | 公開日 | 1999-04-27 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
|
|
6MYP
 | | Avian mitochondrial complex II with TTFA (thenoyltrifluoroacetone) bound | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE, BICARBONATE ION, ... | | 著者 | Berry, E.A, Huang, L.-S. | | 登録日 | 2018-11-02 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
|
|
6MYT
 | | Avian mitochondrial complex II with Atpenin A5 bound, sidechain in pocket | | 分子名称: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5,6-DIMETHOXY-2(1H)-PYRIDINONE, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Berry, E.A, Huang, L.-S. | | 登録日 | 2018-11-02 | | 公開日 | 2019-11-06 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Crystallographic investigation of the ubiquinone binding site of respiratory Complex II and its inhibitors.
Biochim Biophys Acta Proteins Proteom, 1869, 2021
|
|
7KGQ
 | | Crystal Structure of HLA-A*0201in complex with SARS-CoV-2 N222-230 | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CADMIUM ION, ... | | 著者 | Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S. | | 登録日 | 2020-10-18 | | 公開日 | 2021-01-20 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | | 主引用文献 | The presentation of SARS-CoV-2 peptides by the common HLA-A * 02:01 molecule.
Iscience, 24, 2021
|
|
3MQ1
 | | Crystal Structure of Dust Mite Allergen Der p 5 | | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Mite allergen Der p 5, ... | | 著者 | Mueller, G.A, Gosavi, R.A, Krahn, J.M, Edwards, L.L, Cuneo, M.J, Glesner, J, Pomes, A, Chapman, M.D, London, R.E, Pedersen, L.C. | | 登録日 | 2010-04-27 | | 公開日 | 2010-06-02 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Der p 5 crystal structure provides insight into the group 5 dust mite allergens.
J.Biol.Chem., 285, 2010
|
|
5LIL
 | |
6GCH
 | | STRUCTURE OF CHYMOTRYPSIN-*TRIFLUOROMETHYL KETONE INHIBITOR COMPLEXES. COMPARISON OF SLOWLY AND RAPIDLY EQUILIBRATING INHIBITORS | | 分子名称: | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE), GAMMA-CHYMOTRYPSIN A | | 著者 | Brady, K, Wei, A, Ringe, D, Abeles, R.H. | | 登録日 | 1990-04-06 | | 公開日 | 1990-10-15 | | 最終更新日 | 2024-06-05 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure of chymotrypsin-trifluoromethyl ketone inhibitor complexes: comparison of slowly and rapidly equilibrating inhibitors.
Biochemistry, 29, 1990
|
|
1AP5
 | |
5LJJ
 | | Crystal structure of human Mps1 (TTK) in complex with Reversine | | 分子名称: | 1,2-ETHANEDIOL, Dual specificity protein kinase TTK, N~6~-cyclohexyl-N~2~-(4-morpholin-4-ylphenyl)-9H-purine-2,6-diamine | | 著者 | Hiruma, Y, Joosten, R.P, Perrakis, A. | | 登録日 | 2016-07-18 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Structural basis of reversine selectivity in inhibiting Mps1 more potently than aurora B kinase.
Proteins, 84, 2016
|
|
5U2V
 | |
6GFN
 | | METTL16 MTase domain | | 分子名称: | S-ADENOSYL-L-HOMOCYSTEINE, U6 small nuclear RNA (adenine-(43)-N(6))-methyltransferase | | 著者 | Chen, K.M, Mendel, M, Homolka, D, McCarthy, A.A, Pillai, R.S. | | 登録日 | 2018-05-01 | | 公開日 | 2018-09-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Methylation of Structured RNA by the m6A Writer METTL16 Is Essential for Mouse Embryonic Development.
Mol. Cell, 71, 2018
|
|
