7CMZ
| Crystal Structure of BRCT7/8 in Complex with the APS Motif of PHF8 | Descriptor: | DNA topoisomerase 2-binding protein 1, Histone lysine demethylase PHF8, POTASSIUM ION, ... | Authors: | Che, S.Y, Ma, S, Cao, C, Yao, Z, Shi, L, Yang, N. | Deposit date: | 2020-07-29 | Release date: | 2021-03-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.695 Å) | Cite: | PHF8-promoted TOPBP1 demethylation drives ATR activation and preserves genome stability. Sci Adv, 7, 2021
|
|
7X98
| |
8HDO
| Structure of A2BR bound to synthetic agonists BAY 60-6583 | Descriptor: | 2-[6-azanyl-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl]sulfanylethanamide, Adenosine A2b receptor, CHOLESTEROL, ... | Authors: | Cai, H, Xu, Y, Xu, H.E, Jiang, Y. | Deposit date: | 2022-11-05 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists. Cell Discov, 8, 2022
|
|
8HDP
| Structure of A2BR bound to endogenous agonists adenosine | Descriptor: | ADENOSINE, Adenosine A2b receptor, CHOLESTEROL, ... | Authors: | Cai, H, Xu, Y, Xu, H.E, Jiang, Y. | Deposit date: | 2022-11-05 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of adenosine receptor A 2B R bound to endogenous and synthetic agonists. Cell Discov, 8, 2022
|
|
8H7B
| The crystal structure of human mcl1 kinase domain in complex with MCL1-M-EBA | Descriptor: | 7-[3-(isoquinolin-7-yloxymethyl)-1,5-dimethyl-pyrazol-4-yl]-3-(3-naphthalen-1-yloxypropyl)-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Zhu, C.J, Zhang, Z.M. | Deposit date: | 2022-10-19 | Release date: | 2023-02-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.46408451 Å) | Cite: | 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J.Am.Chem.Soc., 2023
|
|
8H7F
| The crystal structure of human abl1 kinase domain in complex with abl1-B-EBA | Descriptor: | 1-[6-(6-methoxyisoquinolin-7-yl)-1,3-benzothiazol-2-yl]-3-(2-oxidanylideneethyl)urea, Tyrosine-protein kinase ABL1 | Authors: | Zhu, C.J, Zhang, Z.M. | Deposit date: | 2022-10-20 | Release date: | 2023-03-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.45013428 Å) | Cite: | 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J.Am.Chem.Soc., 2023
|
|
8H7H
| The crystal structure of human abl1 kinase domain in complex with abl1-A-EBA | Descriptor: | 5-[3-(6-methoxyisoquinolin-7-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methyl-N-prop-2-ynyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1 | Authors: | Zhu, C.J, Zhang, Z.M. | Deposit date: | 2022-10-20 | Release date: | 2023-03-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.27789712 Å) | Cite: | 2-Ethynylbenzaldehyde-Based, Lysine-Targeting Irreversible Covalent Inhibitors for Protein Kinases and Nonkinases. J.Am.Chem.Soc., 2023
|
|
8INB
| Cryo-EM structure of Cas12j-SF05-crRNA-dsDNA complex | Descriptor: | Cas12j-SF05, NTS-DNA, TS-DNA, ... | Authors: | Zhang, X, Duan, Z.Q, Zhu, J.K. | Deposit date: | 2023-03-09 | Release date: | 2024-03-13 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Molecular basis for DNA cleavage by the hypercompact Cas12j-SF05. Cell Discov, 9, 2023
|
|
8JF4
| The crystal structure of human AURKA kinase domain in complex with AURKA-compound 9 | Descriptor: | 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Aurora kinase A | Authors: | Zhu, C.J. | Deposit date: | 2023-05-17 | Release date: | 2024-02-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.89288354 Å) | Cite: | Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development. Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
8JF3
| C-Src in complex with compound 9 | Descriptor: | 2-[4-[4-[bis(oxidanylidene)-$l^5-sulfanyl]oxyphenyl]carbonylpiperazin-1-yl]-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-N-prop-2-ynyl-pyrimidine-4-carboxamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Zhang, Z.M, Huang, H.S. | Deposit date: | 2023-05-17 | Release date: | 2024-02-14 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.84647632 Å) | Cite: | Global Reactivity Profiling of the Catalytic Lysine in Human Kinome for Covalent Inhibitor Development. Angew.Chem.Int.Ed.Engl., 63, 2024
|
|
8JG8
| |
7FH5
| Structure of AdaV | Descriptor: | AdaV, CHLORIDE ION, FE (III) ION | Authors: | Zhang, Z.Y, Chen, W.Q, Zhai, G.Q, Zhang, M. | Deposit date: | 2021-07-29 | Release date: | 2022-08-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Insight into the Catalytic Mechanism of Non-Heme Iron Halogenase AdaV in 2'-Chloropentostatin Biosynthesis Acs Catalysis, 12, 2022
|
|
7W7F
| Cryo-EM structure of human NaV1.3/beta1/beta2-ICA121431 | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2,2-diphenyl-~{N}-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]ethanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jiang, D, Li, X. | Deposit date: | 2021-12-04 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist. Nat Commun, 13, 2022
|
|
7W77
| cryo-EM structure of human NaV1.3/beta1/beta2-bulleyaconitineA | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Jiang, D, Li, X. | Deposit date: | 2021-12-03 | Release date: | 2022-04-06 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis for modulation of human Na V 1.3 by clinical drug and selective antagonist. Nat Commun, 13, 2022
|
|
7W7Y
| The crystal structure of human abl1 kinase domain in complex with ABL2-A5 | Descriptor: | 5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1 | Authors: | Zhu, C, Zhang, Z.M. | Deposit date: | 2021-12-06 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.20003033 Å) | Cite: | Cell-Active, Reversible, and Irreversible Covalent Inhibitors That Selectively Target the Catalytic Lysine of BCR-ABL Kinase. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7W7X
| The crystal structure of human abl1 kinase domain in complex with ABL1-A11 | Descriptor: | 5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase ABL1 | Authors: | Zhu, C, Zhang, Z.M. | Deposit date: | 2021-12-06 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.0000093 Å) | Cite: | Cell-Active, Reversible, and Irreversible Covalent Inhibitors That Selectively Target the Catalytic Lysine of BCR-ABL Kinase. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7XLQ
| Structure of human R-type voltage-gated CaV2.3-alpha2/delta1-beta1 channel complex in the ligand-free (apo) state | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Gao, Y, Qiu, Y, Wei, Y, Dong, Y, Zhang, X.C, Zhao, Y. | Deposit date: | 2022-04-22 | Release date: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Molecular insights into the gating mechanisms of voltage-gated calcium channel Ca V 2.3. Nat Commun, 14, 2023
|
|
7WH9
| holo structure of emodin 1-OH O-methyltransferase complex with emodin and S-Adenosyl-L-homocysteine | Descriptor: | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE, O-methyltransferase gedA, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Liang, Y.J, Lu, X.F, Qi, F.F, Xue, Y.Y. | Deposit date: | 2021-12-30 | Release date: | 2023-01-11 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.803 Å) | Cite: | Characterization and Structural Analysis of Emodin- O -Methyltransferase from Aspergillus terreus. J.Agric.Food Chem., 70, 2022
|
|
7WJL
| Crystal structure of S. cerevisiae Hos3 | Descriptor: | ACETATE ION, Histone deacetylase HOS3, ZINC ION | Authors: | Pang, N.N, Che, S.Y, Yang, N. | Deposit date: | 2022-01-07 | Release date: | 2023-01-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural characterization of fungus-specific histone deacetylase Hos3 provides insights into developing selective inhibitors with antifungal activity. J.Biol.Chem., 298, 2022
|
|
3M03
| Crystal structure of human Orc6 fragment | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Origin recognition complex subunit 6, SULFATE ION | Authors: | Liu, S.X, Wu, L.J, Sun, J, Wang, H.F, Liu, Y.F. | Deposit date: | 2010-03-02 | Release date: | 2011-03-09 | Last modified: | 2014-03-05 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural analysis of human Orc6 protein reveals a homology with transcription factor TFIIB Proc.Natl.Acad.Sci.USA, 108, 2011
|
|
7F59
| DNQX-bound GluK2-1xNeto2 complex | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | Authors: | He, L.L, Gao, Y.W, Li, B, Zhao, Y. | Deposit date: | 2021-06-21 | Release date: | 2021-09-29 | Last modified: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Kainate receptor modulation by NETO2. Nature, 599, 2021
|
|
7F56
| DNQX-bound GluK2-1xNeto2 complex, with asymmetric LBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, kainate 2, ... | Authors: | He, L.L, Gao, Y.W, Li, B, Zhao, Y. | Deposit date: | 2021-06-21 | Release date: | 2021-09-29 | Last modified: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Kainate receptor modulation by NETO2. Nature, 599, 2021
|
|
7F5B
| LBD-TMD focused reconstruction of DNQX-bound GluK2-1xNeto2 complex | Descriptor: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | He, L.L, Gao, Y.W, Li, B, Zhao, Y. | Deposit date: | 2021-06-21 | Release date: | 2021-09-29 | Last modified: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Kainate receptor modulation by NETO2. Nature, 599, 2021
|
|
7F57
| Kainate-bound GluK2-1xNeto2 complex, at the desensitized state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, kainate 2, ... | Authors: | He, L.L, Gao, Y.W, Li, B, Zhao, Y. | Deposit date: | 2021-06-21 | Release date: | 2021-09-29 | Last modified: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Kainate receptor modulation by NETO2. Nature, 599, 2021
|
|
7F5A
| DNQX-bound GluK2-2xNeto2 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, kainate 2, ... | Authors: | He, L.L, Gao, Y.W, Li, B, Zhao, Y. | Deposit date: | 2021-06-21 | Release date: | 2021-09-29 | Last modified: | 2021-12-01 | Method: | ELECTRON MICROSCOPY (6.4 Å) | Cite: | Kainate receptor modulation by NETO2. Nature, 599, 2021
|
|