6RVV
| Structure of left-handed protein cage consisting of 24 eleven-membered ring proteins held together by gold (I) bridges. | Descriptor: | GOLD ION, Transcription attenuation protein MtrB | Authors: | Malay, A.D, Miyazaki, N, Biela, A.P, Iwasaki, K, Heddle, J.G. | Deposit date: | 2019-06-03 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | An ultra-stable gold-coordinated protein cage displaying reversible assembly. Nature, 569, 2019
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6Z45
| CDK9-Cyclin-T1 complex bound by compound 24 | Descriptor: | (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ... | Authors: | Ferguson, A, Collie, G.W. | Deposit date: | 2020-05-22 | Release date: | 2020-12-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies. J.Med.Chem., 63, 2020
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8YJY
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3KDI
| Structure of (+)-ABA bound PYL2 | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Putative uncharacterized protein At2g26040 | Authors: | Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N. | Deposit date: | 2009-10-22 | Release date: | 2009-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.379 Å) | Cite: | Structural insights into the mechanism of abscisic acid signaling by PYL proteins Nat.Struct.Mol.Biol., 16, 2009
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7QVL
| OESTROGEN RECEPTOR LIGAND BINDING DOMAIN IN COMPLEX WITH COMPOUND 38 | Descriptor: | (2~{R})-3-[(1~{R},3~{R})-1-[5-fluoranyl-2-[2-(3-fluoranylpropylamino)ethoxy]-3-methyl-pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methyl-propanoic acid, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2022-01-21 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists. J.Med.Chem., 66, 2023
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7QVJ
| ESTROGEN RECEPTOR ALPHA IN COMPLEX WITH COMPOUND 29 | Descriptor: | 2,2-bis(fluoranyl)-3-[(1~{R},3~{R})-1-[6-fluoranyl-3-[2-(3-fluoranylpropylamino)ethoxy]-2-methyl-phenyl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-ol, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2022-01-21 | Release date: | 2023-02-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Discovery of a Potent and Orally Bioavailable Zwitterionic Series of Selective Estrogen Receptor Degrader-Antagonists. J.Med.Chem., 66, 2023
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8HM1
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8HM2
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8HM4
| Crystal structure of PPIase | Descriptor: | Peptidylprolyl isomerase | Authors: | Xu, J.H, Chen, Z, Gao, X. | Deposit date: | 2022-12-02 | Release date: | 2023-11-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.79 Å) | Cite: | Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome. Nat Microbiol, 9, 2024
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8HM3
| Complex of PPIase-BfUbb | Descriptor: | GLYCEROL, MAGNESIUM ION, Peptidylprolyl isomerase, ... | Authors: | Xu, J.H, Chen, Z, Gao, X. | Deposit date: | 2022-12-02 | Release date: | 2023-11-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Bacteroides fragilis ubiquitin homologue drives intraspecies bacterial competition in the gut microbiome. Nat Microbiol, 9, 2024
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7YW0
| Bacteroides fragilis Hcp5 | Descriptor: | Bacterodales T6SS protein TssD (Hcp) | Authors: | Wen, Y, He, W, Bai, Y. | Deposit date: | 2022-08-20 | Release date: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure and assembly of type VI secretion system cargo delivery vehicle. Cell Rep, 42, 2023
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6KZE
| The crystal structue of PDE10A complexed with 4d | Descriptor: | 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B. | Deposit date: | 2019-09-24 | Release date: | 2020-09-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.50003481 Å) | Cite: | Novel Potent and Highly Selective Benzoimidazole-based Phosphodiesterase 10 Inhibitors with Improved Solubility and Pharmacokinetic Properties for the Treatment of Pulmonary Arterial Hypertension To Be Published
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8VXE
| Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6 | Descriptor: | (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 14 | Authors: | Blaesse, M, Steinbacher, S, Shaffer, P.L, Sharma, S, Thompson, A.A. | Deposit date: | 2024-02-04 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
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8VXF
| Structure of Casein kinase I isoform delta (CK1d) complexed with inhibitor 15 | Descriptor: | (2P,3P,8S)-2-(5-fluoropyridin-2-yl)-6,6-dimethyl-3-(1H-pyrazolo[3,4-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine, Casein kinase I isoform delta | Authors: | Thompson, A.A, Milligan, C.M, Sharma, S. | Deposit date: | 2024-02-04 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions. Acs Med.Chem.Lett., 15, 2024
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8VXD
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6ZOQ
| Oestrogen receptor ligand binding domain in complex with compound 16 | Descriptor: | Estrogen receptor, ~{N}-[4-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-3-methoxy-phenyl]-1-(3-fluoranylpropyl)azetidin-3-amine | Authors: | Breed, J. | Deposit date: | 2020-07-07 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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6ZOR
| Oestrogen receptor ligand binding domain in complex with compound 28 | Descriptor: | 6-[(6~{S},8~{R})-8-methyl-7-[2,2,2-tris(fluoranyl)ethyl]-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-(1-propylazetidin-3-yl)pyridin-3-amine, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2020-07-07 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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6ZOS
| Oestrogen receptor ligand binding domain in complex with compound 18 | Descriptor: | 6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine, Estrogen receptor | Authors: | Breed, J. | Deposit date: | 2020-07-07 | Release date: | 2021-01-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of AZD9833, a Potent and Orally Bioavailable Selective Estrogen Receptor Degrader and Antagonist. J.Med.Chem., 63, 2020
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7BPI
| The crystal structue of PDE10A complexed with 14 | Descriptor: | 8-[(E)-2-[5-methyl-1-[3-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]benzimidazol-2-yl]ethenyl]quinoline, MAGNESIUM ION, ZINC ION, ... | Authors: | Yang, Y, Zhang, S, Zhou, Q, Huang, Y.-Y, Guo, L, Luo, H.-B. | Deposit date: | 2020-03-22 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4000864 Å) | Cite: | Discovery of highly selective and orally available benzimidazole-based phosphodiesterase 10 inhibitors with improved solubility and pharmacokinetic properties for treatment of pulmonary arterial hypertension. Acta Pharm Sin B, 10, 2020
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7U8O
| Structure of porcine V-ATPase with mEAK7 and SidK, Rotary state 2 | Descriptor: | ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, Bacterial effector protein SidK, ... | Authors: | Tan, Y.Z, Keon, K.A. | Deposit date: | 2022-03-09 | Release date: | 2022-07-06 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7. Life Sci Alliance, 5, 2022
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7U8Q
| Structure of porcine kidney V-ATPase with SidK, Rotary State 2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, ... | Authors: | Tan, Y.Z, Keon, K.A. | Deposit date: | 2022-03-09 | Release date: | 2022-07-06 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7. Life Sci Alliance, 5, 2022
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7U8P
| Structure of porcine kidney V-ATPase with SidK, Rotary State 1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, ... | Authors: | Tan, Y.Z, Keon, K.A. | Deposit date: | 2022-03-09 | Release date: | 2022-07-06 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7. Life Sci Alliance, 5, 2022
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7U8R
| Structure of porcine kidney V-ATPase with SidK, Rotary State 3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATPase H(+)-transporting lysosomal accessory protein 2, ATPase H+ transporting accessory protein 1, ... | Authors: | Tan, Y.Z, Keon, K.A. | Deposit date: | 2022-03-09 | Release date: | 2022-07-06 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | CryoEM of endogenous mammalian V-ATPase interacting with the TLDc protein mEAK-7. Life Sci Alliance, 5, 2022
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1FSH
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6L8L
| C-Src in complex with ibrutinib | Descriptor: | 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, Proto-oncogene tyrosine-protein kinase Src | Authors: | Guo, M, Dai, S, Chen, L, Chen, Y. | Deposit date: | 2019-11-06 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.888 Å) | Cite: | Characterization of ibrutinib as a non-covalent inhibitor of SRC-family kinases. Bioorg.Med.Chem.Lett., 34, 2020
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