7TVB
 
 | | Stat5A Core in Complex with AK305 | | 分子名称: | GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, Signal transducer and activator of transcription 5A | | 著者 | Meagher, J.L, Stuckey, J.A. | | 登録日 | 2022-02-04 | | 公開日 | 2023-02-15 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.653 Å) | | 主引用文献 | A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023
|
|
6H7X
 | | First X-ray structure of full-length human RuvB-Like 2. | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ... | | 著者 | Silva, S, Brito, J.A, Matias, P, Bandeiras, T. | | 登録日 | 2018-07-31 | | 公開日 | 2018-08-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.892 Å) | | 主引用文献 | X-ray structure of full-length human RuvB-Like 2 - mechanistic insights into coupling between ATP binding and mechanical action.
Sci Rep, 8, 2018
|
|
6GZV
 | | Identification of a druggable VP1-VP3 interprotomer pocket in the capsid of enteroviruses | | 分子名称: | 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid, Capsid protein VP1, Capsid protein VP2, ... | | 著者 | Geraets, J.A, Flatt, J.W, Domanska, A, Butcher, S.J. | | 登録日 | 2018-07-05 | | 公開日 | 2019-06-05 | | 最終更新日 | 2024-05-15 | | 実験手法 | ELECTRON MICROSCOPY (4 Å) | | 主引用文献 | A novel druggable interprotomer pocket in the capsid of rhino- and enteroviruses.
Plos Biol., 17, 2019
|
|
6H75
 | | SiaP A11N in complex with Neu5Ac (RT) | | 分子名称: | N-acetyl-beta-neuraminic acid, Sialic acid-binding periplasmic protein SiaP | | 著者 | Fischer, M, Darby, J.F, Brannigan, J.A, Turkenburg, J, Hubbard, R.E. | | 登録日 | 2018-07-30 | | 公開日 | 2019-08-14 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Water Networks Can Determine the Affinity of Ligand Binding to Proteins.
J.Am.Chem.Soc., 141, 2019
|
|
6H5O
 | |
6WE6
 | | Camphor bound P450cam D251E structure | | 分子名称: | CAMPHOR, Camphor 5-monooxygenase, POTASSIUM ION, ... | | 著者 | Amaya, J.A, Poulos, T.L, Batabyal, D. | | 登録日 | 2020-04-01 | | 公開日 | 2020-07-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | | 主引用文献 | Proton Relay Network in the Bacterial P450s: CYP101A1 and CYP101D1.
Biochemistry, 59, 2020
|
|
6GUF
 | | CDK2/CyclinA in complex with CGP74514A | | 分子名称: | Cyclin-A2, Cyclin-dependent kinase 2, N2-[(1R,2S)-2-AMINOCYCLOHEXYL]-N6-(3-CHLOROPHENYL)-9-ETHYL-9H-PURINE-2,6-DIAMINE | | 著者 | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | 登録日 | 2018-06-19 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
|
|
6GVK
 | | Second pair of Fibronectin type III domains of integrin beta4 (T1663R mutant) bound to the bullous pemphigoid antigen BP230 (BPAG1e) | | 分子名称: | Dystonin, GLYCEROL, Integrin beta-4 | | 著者 | Manso, J.A, Gomez-Hernandez, M, Alonso-Garcia, N, de Pereda, J.M. | | 登録日 | 2018-06-21 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Integrin alpha 6 beta 4 Recognition of a Linear Motif of Bullous Pemphigoid Antigen BP230 Controls Its Recruitment to Hemidesmosomes.
Structure, 27, 2019
|
|
6WIV
 | | Structure of human GABA(B) receptor in an inactive state | | 分子名称: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Park, J, Fu, Z, Frangaj, A, Liu, J, Mosyak, L, Shen, T, Slavkovich, V.N, Ray, K.M, Taura, J, Cao, B, Geng, Y, Zuo, H, Kou, Y, Grassucci, R, Chen, S, Liu, Z, Lin, X, Williams, J.P, Rice, W.J, Eng, E.T, Huang, R.K, Soni, R.K, Kloss, B, Yu, Z, Javitch, J.A, Hendrickson, W.A, Slesinger, P.A, Quick, M, Graziano, J, Yu, H, Fiehn, O, Clarke, O.B, Frank, J, Fan, Q.R. | | 登録日 | 2020-04-10 | | 公開日 | 2020-07-01 | | 最終更新日 | 2020-08-26 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structure of human GABABreceptor in an inactive state.
Nature, 584, 2020
|
|
6WH1
 | | Structure of the complex of human DNA ligase III-alpha and XRCC1 BRCT domains | | 分子名称: | DNA ligase 3 alpha, X-ray repair cross complementing protein 1 variant | | 著者 | Pourfarjam, Y, Ellenberger, T, Tainer, J.A, Tomkinson, A.E, Kim, I.K. | | 登録日 | 2020-04-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | An atypical BRCT-BRCT interaction with the XRCC1 scaffold protein compacts human DNA Ligase III alpha within a flexible DNA repair complex.
Nucleic Acids Res., 49, 2021
|
|
6H3R
 | |
6GUE
 | | CDK2/CyclinA in complex with AZD5438 | | 分子名称: | 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2 | | 著者 | Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P. | | 登録日 | 2018-06-19 | | 公開日 | 2018-12-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
|
|
6GV4
 | | High-resolution Cryo-EM of Fab-labeled human parechovirus 3 | | 分子名称: | AT12-015 antibody variable heavy, AT12-015 antibody variable light, RNA (5'-R(*UP*GP*GP*UP*AP*UP*UP*U)-3'), ... | | 著者 | Domanska, A, Flatt, J.W, Jukonen, J.J.J, Geraets, J.A, Butcher, S.J. | | 登録日 | 2018-06-20 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | A 2.8-Angstrom-Resolution Cryo-Electron Microscopy Structure of Human Parechovirus 3 in Complex with Fab from a Neutralizing Antibody.
J.Virol., 93, 2019
|
|
6WH2
 | | Structure of the C-terminal BRCT domain of human XRCC1 | | 分子名称: | X-ray repair cross complementing protein 1 variant | | 著者 | Pourfarjam, Y, Ellenberger, T, Tainer, J.A, Tomkinson, A.E, Kim, I.K. | | 登録日 | 2020-04-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.414 Å) | | 主引用文献 | An atypical BRCT-BRCT interaction with the XRCC1 scaffold protein compacts human DNA Ligase III alpha within a flexible DNA repair complex.
Nucleic Acids Res., 49, 2021
|
|
6X4A
 | | Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) Variant in Complex with 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile (JLJ651), a Non-nucleoside Inhibitor | | 分子名称: | 5-chloro-7-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-8-methyl-2-naphthonitrile, Reverse transcriptase/ribonuclease H, SULFATE ION, ... | | 著者 | Chan, A.H, Duong, V.N, Ippolito, J.A, Jorgensen, W.L, Anderson, K.S. | | 登録日 | 2020-05-22 | | 公開日 | 2020-07-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.537 Å) | | 主引用文献 | Structural investigation of 2-naphthyl phenyl ether inhibitors bound to WT and Y181C reverse transcriptase highlights key features of the NNRTI binding site.
Protein Sci., 29, 2020
|
|
7UM3
 | | Crystal structure of a Fab in complex with a peptide derived from the LAG-3 D1 domain loop insertion | | 分子名称: | D1 domain loop peptide from Lymphocyte activation gene 3 protein, Fab heavy chain, Fab light chain | | 著者 | Zorn, J.A, Lee, P.S, Rajpal, A, Strop, P. | | 登録日 | 2022-04-06 | | 公開日 | 2022-09-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3983 Å) | | 主引用文献 | Preclinical Characterization of Relatlimab, a Human LAG-3-Blocking Antibody, Alone or in Combination with Nivolumab.
Cancer Immunol Res, 10, 2022
|
|
6GNF
 | | Granule Bound Starch Synthase from Cyanobacterium sp. CLg1 bound to acarbose and ADP | | 分子名称: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ADENOSINE-5'-DIPHOSPHATE, Glycogen synthase, ... | | 著者 | Cuesta-Seijo, J.A, Nielsen, M.M, Palcic, M.M. | | 登録日 | 2018-05-30 | | 公開日 | 2018-07-25 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal Structures of theCatalyticDomain ofArabidopsis thalianaStarch Synthase IV, of Granule Bound Starch Synthase From CLg1 and of Granule Bound Starch Synthase I ofCyanophora paradoxaIllustrate Substrate Recognition in Starch Synthases.
Front Plant Sci, 9, 2018
|
|
7UMV
 | | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((5,6-dihydropyrido[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | | 分子名称: | 1-{[(10aP)-5,6-dihydropyrido[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one, ACETATE ION, Dual specificity protein phosphatase 10 | | 著者 | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | | 登録日 | 2022-04-07 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
|
|
7UN0
 | | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-chloro-5,6-dihydrobenzo[h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | | 分子名称: | 1-[(9-chlorobenzo[h]quinazolin-2-yl)sulfanyl]-3,3-dimethylbutan-2-one, Dual specificity protein phosphatase 10 | | 著者 | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | | 登録日 | 2022-04-08 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
|
|
7UL6
 | |
7UN4
 | | Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor | | 分子名称: | 1-{[(9aM)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}-3,3-dimethylbutan-2-one, Dual specificity protein phosphatase 10 | | 著者 | Gannam, Z.T.K, Jamali, H, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M. | | 登録日 | 2022-04-08 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
|
|
6X6C
 | | Cryo-EM structure of NLRP1-DPP9-VbP complex | | 分子名称: | Dipeptidyl peptidase 9, NACHT, LRR and PYD domains-containing protein 1, ... | | 著者 | Hollingsworth, L.R, Sharif, H, Griswold, A.R, Fontana, P, Mintseris, J, Dagbay, K.B, Paulo, J.A, Gygi, S.P, Bachovchin, D.A, Wu, H. | | 登録日 | 2020-05-27 | | 公開日 | 2021-03-10 | | 最終更新日 | 2021-05-12 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | DPP9 sequesters the C terminus of NLRP1 to repress inflammasome activation.
Nature, 592, 2021
|
|
6HE6
 | |
6X6A
 | | Cryo-EM structure of NLRP1-DPP9 complex | | 分子名称: | Dipeptidyl peptidase 9, NACHT, LRR and PYD domains-containing protein 1 | | 著者 | Hollingsworth, L.R, Sharif, H, Griswold, A.R, Fontana, P, Mintseris, J, Dagbay, K.B, Paulo, J.A, Gygi, S.P, Bachovchin, D.A, Wu, H. | | 登録日 | 2020-05-27 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (3.6 Å) | | 主引用文献 | DPP9 sequesters the C terminus of NLRP1 to repress inflammasome activation.
Nature, 592, 2021
|
|
6HRL
 | | Crystal structure of the Kelch domain of human KLHL17 | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 17, ... | | 著者 | Chen, Z, Williams, E, Sorrell, F.J, Newman, J.A, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, F, Edwards, C.H, Bountra, C, Bullock, A.N. | | 登録日 | 2018-09-27 | | 公開日 | 2018-10-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of the Kelch domain of human KLHL17
To Be Published
|
|
