9FAY
 
 | | Gcase in complex with small molecule inhibitor 1 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Tisi, D, Cleasby, A. | | 登録日 | 2024-05-10 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
|
|
9FAZ
 | | Gcase in complex with small molecule inhibitor 1 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Tisi, D, Cleasby, A. | | 登録日 | 2024-05-10 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-07-24 | | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
|
|
6HAX
 | | Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | 分子名称: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | | 登録日 | 2018-08-09 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
|
|
6HAY
 | | Crystal structure of PROTAC 1 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | 分子名称: | (2~{S},4~{R})-~{N}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | | 登録日 | 2018-08-09 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
|
|
8AFC
 | | CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12 | | 分子名称: | 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Boettcher, J, Kessler, D. | | 登録日 | 2022-07-16 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
|
|
8AFB
 | | CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474) | | 分子名称: | (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Boettcher, J, Kessler, D. | | 登録日 | 2022-07-16 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.12 Å) | | 主引用文献 | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
|
|
8AFD
 | | CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a | | 分子名称: | (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1H-benzimidazol-2-ylmethanethiol, GTPase KRas, ... | | 著者 | Boettcher, J, Kessler, D. | | 登録日 | 2022-07-16 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.633 Å) | | 主引用文献 | Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
|
|
6OY3
 | |
6HR2
 | | Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB | | 分子名称: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | 著者 | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | | 登録日 | 2018-09-26 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
|
|
6UWL
 | |
6UWF
 | |
7AA4
 | | Structure of ClpC1-NTD bound to a CymA analogue | | 分子名称: | Negative regulator of genetic competence ClpC/mecB, polymer Cyclomarin A analogue | | 著者 | Meinhart, A, Morreale, F.E, Kaiser, M, Clausen, T. | | 登録日 | 2020-09-03 | | 公開日 | 2021-08-11 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | | 主引用文献 | BacPROTACs mediate targeted protein degradation in bacteria.
Cell, 185, 2022
|
|
7ABR
 | | Cryo-EM structure of B. subtilis ClpC (DWB mutant) hexamer bound to a substrate polypeptide | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Negative regulator of genetic competence ClpC/MecB, ... | | 著者 | Morreale, F.E, Meinhart, A, Haselbach, D, Clausen, T. | | 登録日 | 2020-09-08 | | 公開日 | 2021-10-06 | | 最終更新日 | 2022-07-06 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | BacPROTACs mediate targeted protein degradation in bacteria.
Cell, 185, 2022
|
|
7N65
 | | Complex structure of HIV superinfection Fab QA013.2 and BG505.SOSIP.664 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp41, ... | | 著者 | Mangala Prasad, V, Shipley, M.M, Overbaugh, J.M, Lee, K.K. | | 登録日 | 2021-06-07 | | 公開日 | 2021-07-28 | | 実験手法 | ELECTRON MICROSCOPY (4.15 Å) | | 主引用文献 | Functional development of a V3/glycan-specific broadly neutralizing antibody isolated from a case of HIV superinfection.
Elife, 10, 2021
|
|
7B27
 | |
7NKT
 | | RBD domain of SARS-CoV2 in complex with neutralizing nanobody NM1226 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ... | | 著者 | Ostertag, E, Zocher, G, Stehle, T. | | 登録日 | 2021-02-18 | | 公開日 | 2021-05-12 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | NeutrobodyPlex-monitoring SARS-CoV-2 neutralizing immune responses using nanobodies.
Embo Rep., 22, 2021
|
|
6XWM
 | | Mechanism of substrate release in neurotransmitter:sodium symporters: the structure of LeuT in an inward-facing occluded conformation | | 分子名称: | Na(+):neurotransmitter symporter (Snf family), PHENYLALANINE, SODIUM ION | | 著者 | Boesen, T, Nissen, P, Gotfryd, K, Loland, C.J, Gether, U. | | 登録日 | 2020-01-24 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | X-ray structure of LeuT in an inward-facing occluded conformation reveals mechanism of substrate release.
Nat Commun, 11, 2020
|
|
8B9O
 | |
8B9U
 | |
8PWC
 | | Crystal structure of MDM2 with Brigimadlin | | 分子名称: | Brigimadlin, E3 ubiquitin-protein ligase Mdm2 | | 著者 | Bader, G, Wolkerstorfer, B. | | 登録日 | 2023-07-20 | | 公開日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (1.461 Å) | | 主引用文献 | Discovery and Characterization of Brigimadlin, a Novel and Highly Potent MDM2-p53 Antagonist Suitable for Intermittent Dose Schedules.
Mol.Cancer Ther., 2024
|
|
1AG8
 | |
1A4Z
 | |
5FP2
 | |
5FR8
 | |
5FP1
 | |
