7PBT
 
 | | RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s1 [t1 dataset] | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvA, Holliday junction ATP-dependent DNA helicase RuvB, ... | | 著者 | Wald, J, Fahrenkamp, D, Goessweiner-Mohr, N, Marlovits, T.C. | | 登録日 | 2021-08-02 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration.
Nature, 609, 2022
|
|
7PBM
 | | RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s2 [t2 dataset] | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvA, Holliday junction ATP-dependent DNA helicase RuvB, ... | | 著者 | Fahrenkamp, D, Goessweiner-Mohr, N, Wald, J, Marlovits, T.C. | | 登録日 | 2021-08-02 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration.
Nature, 609, 2022
|
|
7PBP
 | | RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s5 [t2 dataset] | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvA, Holliday junction ATP-dependent DNA helicase RuvB, ... | | 著者 | Fahrenkamp, D, Goessweiner-Mohr, N, Wald, J, Marlovits, T.C. | | 登録日 | 2021-08-02 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration.
Nature, 609, 2022
|
|
7UVO
 | | Pfs230 domain 1 bound by RUPA-38 Fab | | 分子名称: | CHLORIDE ION, Gametocyte surface protein P230, ISOPROPYL ALCOHOL, ... | | 著者 | Ivanochko, D, Newton, J, Julien, J.P. | | 登録日 | 2022-05-02 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
|
|
7UVH
 | | Pfs230 domain 1 bound by RUPA-32 Fab | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, AMMONIUM ION, ... | | 著者 | Ivanochko, D, Newton, J, Julien, J.P. | | 登録日 | 2022-05-02 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
|
|
7UXL
 | | Crystal structure of malaria transmission-blocking antigen Pfs48/45-6C variant in complex with human antibodies RUPA-44 and RUPA-29 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Gametocyte surface protein P45/48, RUPA-29 Fab Heavy chain, ... | | 著者 | Hailemariam, S, Ivanochko, D, Julien, J.P. | | 登録日 | 2022-05-05 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Highly potent, naturally acquired human monoclonal antibodies against Pfs48/45 block Plasmodium falciparum transmission to mosquitoes.
Immunity, 56, 2023
|
|
7PBQ
 | | RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s0+A [t2 dataset] | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvA, Holliday junction ATP-dependent DNA helicase RuvB, ... | | 著者 | Goessweiner-Mohr, N, Fahrenkamp, D, Wald, J, Marlovits, T.C. | | 登録日 | 2021-08-02 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration.
Nature, 609, 2022
|
|
7UVI
 | | Pfs230 domain 1 bound by RUPA-55 Fab | | 分子名称: | Gametocyte surface protein P230, RUPA-55 Fab heavy chain, RUPA-55 Fab light chain | | 著者 | Ivanochko, D, Newton, J, Julien, J.P. | | 登録日 | 2022-05-02 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | | 主引用文献 | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
|
|
7PBS
 | | RuvAB branch migration motor complexed to the Holliday junction - RuvB AAA+ state s0+A [t1 dataset] | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvA, Holliday junction ATP-dependent DNA helicase RuvB, ... | | 著者 | Goessweiner-Mohr, N, Fahrenkamp, D, Wald, J, Marlovits, T.C. | | 登録日 | 2021-08-02 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Mechanism of AAA+ ATPase-mediated RuvAB-Holliday junction branch migration.
Nature, 609, 2022
|
|
5ZYL
 | | Crystal structure of CERT START domain in complex with compound E25A | | 分子名称: | 2-[4-[4-cyclopentyl-3-[(1~{S},2~{R})-2-pyridin-2-ylcyclopropyl]phenyl]phenyl]sulfonylethanol, GLYCEROL, LIPID-TRANSFER PROTEIN CERT | | 著者 | Suzuki, M, Nakao, N, Ueno, M, Sakai, S, Egawa, D, Hanzawa, H, Kawasaki, S, Kumagai, K, Kobayashi, S, Hanada, K. | | 登録日 | 2018-05-25 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Natural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Commun Chem, 2019
|
|
7OK3
 | |
7UVS
 | | Pfs230 domain 1 bound by LMIV230-02 Fab | | 分子名称: | Gametocyte surface protein P230, LMIV230-02 Fab heavy chain, LMIV230-02 Fab light chain, ... | | 著者 | Ivanochko, D, Julien, J.P. | | 登録日 | 2022-05-02 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
|
|
7OK4
 | |
7UW2
 | | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB116 and coactivator peptide GRIP-1 | | 分子名称: | (2E,4E,6Z,8E)-8-{3-[(2S)-butan-2-yl]-2-(3-methylbutyl)cyclohex-2-en-1-ylidene}-3,7-dimethylocta-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | 著者 | Chattopadhyay, D, Yang, Z, Atigadda, V. | | 登録日 | 2022-05-02 | | 公開日 | 2023-03-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers.
J.Med.Chem., 65, 2022
|
|
7UW4
 | | Crystal structure of human Retinoid X receptor alpha ligand binding domain complex with UAB113 and coactivator peptide GRIP-1 | | 分子名称: | (2E,4E,6Z,8E)-3,7-dimethyl-8-[2-(3-methylbutyl)-3-propylcyclohex-2-en-1-ylidene]octa-2,4,6-trienoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | 著者 | Chattopadhyay, D, Yang, Z, Atigadda, V. | | 登録日 | 2022-05-02 | | 公開日 | 2023-03-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Conformationally Defined Rexinoids for the Prevention of Inflammation and Nonmelanoma Skin Cancers.
J.Med.Chem., 65, 2022
|
|
5OVI
 | | Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor BAY-293 (compound 23) | | 分子名称: | 1,2-ETHANEDIOL, 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine, Son of sevenless homolog 1 | | 著者 | Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B. | | 登録日 | 2017-08-28 | | 公開日 | 2019-02-06 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
5RL4
 | | PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors -- Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-3 (Mpro-x3124) | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, N-(4-tert-butylphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide | | 著者 | Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Zaidman, D, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Gorrie-Stone, T.J, Skyner, R, London, N, Walsh, M.A, von Delft, F. | | 登録日 | 2020-08-05 | | 公開日 | 2020-12-02 | | 最終更新日 | 2021-07-07 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | PanDDA analysis group deposition of computational designs of SARS-CoV-2 main protease covalent inhibitors
To Be Published
|
|
3Q6O
 | |
6A1G
 | | Crystal structure of human DYRK1A in complex with compound 32 | | 分子名称: | 5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | 著者 | Baba, D, Hanzawa, H. | | 登録日 | 2018-06-07 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28, 2018
|
|
6A94
 | | Crystal structure of 5-HT2AR in complex with zotepine | | 分子名称: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562, ... | | 著者 | Kimura, T.K, Asada, H, Inoue, A, Kadji, F.M.N, Im, D, Mori, C, Arakawa, T, Hirata, K, Nomura, Y, Nomura, N, Aoki, J, Iwata, S, Shimamura, T. | | 登録日 | 2018-07-11 | | 公開日 | 2019-02-13 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Structures of the 5-HT2Areceptor in complex with the antipsychotics risperidone and zotepine.
Nat.Struct.Mol.Biol., 26, 2019
|
|
7UMO
 | | Structure of Unc119-inhibitor complex. | | 分子名称: | (3s,5s,7s)-N-(4,5-dichloropyridin-2-yl)adamantane-1-carboxamide, GLYCEROL, Protein unc-119 homolog A | | 著者 | Srivastava, D, Sebag, J.A, Artemyev, N.O. | | 登録日 | 2022-04-07 | | 公開日 | 2023-07-26 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Insulin sensitization by small molecules enhancing GLUT4 translocation.
Cell Chem Biol, 30, 2023
|
|
7ULU
 | | Human DDAH1 soaked with its inhibitor ClPyrAA | | 分子名称: | (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid, N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | | 著者 | Butrin, A, Zheng, Y, Tuley, A, Liu, D, Fast, W. | | 登録日 | 2022-04-05 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1
To Be Published
|
|
7ULX
 | | Human DDAH1 soaked with its inhibitor N4-(4-chloropyridin-2-yl)-L-asparagine | | 分子名称: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, N-(pyridin-2-yl)-L-asparagine | | 著者 | Zheng, Y, Butrin, A, Tuley, A, Liu, D, Fast, W. | | 登録日 | 2022-04-05 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.707 Å) | | 主引用文献 | Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1
To Be Published
|
|
7ULV
 | | Human DDAH1 soaked with its inactivator S-((4-chloropyridin-2-yl)methyl)-L-cysteine | | 分子名称: | N(G),N(G)-dimethylarginine dimethylaminohydrolase 1, S-[(pyridin-2-yl)methyl]-L-cysteine | | 著者 | Zheng, Y, Butrin, A, Tuley, A, Liu, D, Fast, W. | | 登録日 | 2022-04-05 | | 公開日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Optimization of a switchable electrophile fragment into a potent and selective covalent inhibitor of human DDAH1
To Be Published
|
|
3QD9
 | |
