7WL7
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7WK7
| Mouse Pendrin bound bicarbonate in inward state | Descriptor: | BICARBONATE ION, Pendrin | Authors: | Liu, Q.Y, Zhang, X, Sun, L, Chen, Z.G. | Deposit date: | 2022-01-08 | Release date: | 2023-05-17 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (3.49 Å) | Cite: | Asymmetric pendrin homodimer reveals its molecular mechanism as anion exchanger. Nat Commun, 14, 2023
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7WLB
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7WL8
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5HZV
| Crystal structure of the zona pellucida module of human endoglin/CD105 | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein,Endoglin, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Bokhove, M, Saito, T, Jovine, L. | Deposit date: | 2016-02-03 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis of the Human Endoglin-BMP9 Interaction: Insights into BMP Signaling and HHT1. Cell Rep, 19, 2017
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5YUD
| Flagellin derivative in complex with the NLR protein NAIP5 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Baculoviral IAP repeat-containing protein 1e, Phase 2 flagellin,Flagellin | Authors: | Yang, X.R, Yang, F, Wang, W.G, Lin, G.Z. | Deposit date: | 2017-11-21 | Release date: | 2018-01-03 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.28 Å) | Cite: | Structural basis for specific flagellin recognition by the NLR protein NAIP5. Cell Res., 28, 2018
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6DBM
| Tyk2 with compound 23 | Descriptor: | Non-receptor tyrosine-protein kinase TYK2, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | Authors: | Vajdos, F.F. | Deposit date: | 2018-05-03 | Release date: | 2018-08-29 | Last modified: | 2018-11-07 | Method: | X-RAY DIFFRACTION (2.368 Å) | Cite: | Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841). J. Med. Chem., 61, 2018
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6DBN
| Jak1 with compound 23 | Descriptor: | Tyrosine-protein kinase JAK1, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | Authors: | Vajdos, F.F. | Deposit date: | 2018-05-03 | Release date: | 2018-08-29 | Last modified: | 2018-11-07 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841). J. Med. Chem., 61, 2018
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7CL0
| Crystal structure of human SIRT6 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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7CL1
| Human SIRT6 in complex with allosteric activator MDL-801 (3.2A) | Descriptor: | 5-[[3,5-bis(chloranyl)phenyl]sulfonylamino]-2-[(5-bromanyl-4-fluoranyl-2-methyl-phenyl)sulfamoyl]benzoic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Song, K, Zhang, J. | Deposit date: | 2020-07-20 | Release date: | 2021-02-24 | Last modified: | 2021-05-12 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Reply to: Binding site for MDL-801 on SIRT6. Nat.Chem.Biol., 17, 2021
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6F29
| Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2-Amino-2-carboxyethyl]-5,7-dihydrothieno[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.6A | Descriptor: | (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2017-11-23 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | ( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation. J. Med. Chem., 61, 2018
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6F28
| Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2'-Amino-2'-carboxyethyl]-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.4A | Descriptor: | (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2017-11-23 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | ( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation. J. Med. Chem., 61, 2018
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4PT1
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7CRH
| Cryo-EM structure of SKF83959 bound dopamine receptor DRD1-Gs signaling complex | Descriptor: | (1S)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol, D(1A) dopamine receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Yan, W, Shao, Z.H. | Deposit date: | 2020-08-13 | Release date: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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7CKW
| Cryo-EM structure of Fenoldopam bound dopamine receptor DRD1-Gs signaling complex | Descriptor: | (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Yan, W, Shao, W. | Deposit date: | 2020-07-20 | Release date: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.22 Å) | Cite: | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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7CKZ
| Cryo-EM structure of Dopamine and LY3154207 bound dopamine receptor DRD1-Gs signaling complex | Descriptor: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Yan, W, Shao, Z. | Deposit date: | 2020-07-20 | Release date: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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7CKY
| Cryo-EM structure of PW0464 bound dopamine receptor DRD1-Gs signaling complex | Descriptor: | 6-[4-[3-[bis(fluoranyl)methoxy]pyridin-2-yl]oxy-2-methyl-phenyl]-1,5-dimethyl-pyrimidine-2,4-dione, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Yan, W, Shao, Z. | Deposit date: | 2020-07-20 | Release date: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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7CKX
| Cryo-EM structure of A77636 bound dopamine receptor DRD1-Gs signaling complex | Descriptor: | (1R,3S)-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Yan, W, Shao, Z. | Deposit date: | 2020-07-20 | Release date: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes. Cell, 184, 2021
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5XMZ
| Verticillium effector PevD1 | Descriptor: | CALCIUM ION, CHLORIDE ION, Effector protein PevD1 | Authors: | Liu, X, Zhou, R. | Deposit date: | 2017-05-17 | Release date: | 2017-07-05 | Last modified: | 2017-09-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The asparagine-rich protein NRP interacts with the Verticillium effector PevD1 and regulates the subcellular localization of cryptochrome 2 J. Exp. Bot., 68, 2017
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7CY0
| Crystal structure of S185H mutant PET hydrolase from Ideonella sakaiensis | Descriptor: | ACETIC ACID, Poly(ethylene terephthalate) hydrolase | Authors: | Han, X, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T. | Deposit date: | 2020-09-03 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | General features to enhance enzymatic activity of poly(ethylene terephthalate) hydrolysis. Nat Catal, 4, 2021
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4PSX
| Crystal structure of histone acetyltransferase complex | Descriptor: | COENZYME A, Histone H3, Histone H4, ... | Authors: | Yang, M, Li, Y. | Deposit date: | 2014-03-08 | Release date: | 2014-07-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.509 Å) | Cite: | Hat2p recognizes the histone H3 tail to specify the acetylation of the newly synthesized H3/H4 heterodimer by the Hat1p/Hat2p complex Genes Dev., 28, 2014
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4PSW
| Crystal structure of histone acetyltransferase complex | Descriptor: | COENZYME A, Histone H4 type VIII, Histone acetyltransferase type B catalytic subunit, ... | Authors: | Yang, M, Li, Y. | Deposit date: | 2014-03-08 | Release date: | 2014-07-09 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Hat2p recognizes the histone H3 tail to specify the acetylation of the newly synthesized H3/H4 heterodimer by the Hat1p/Hat2p complex Genes Dev., 28, 2014
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4TW2
| Crystal Structure of SCARB2 in Neural Condition (pH7.5) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Scavenger receptor class B member 2, ... | Authors: | Dang, M.H, Wang, X.X, Rao, Z.H. | Deposit date: | 2014-06-29 | Release date: | 2015-07-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.889 Å) | Cite: | Molecular mechanism of SCARB2-mediated attachment and uncoating of EV71 Protein Cell, 5, 2014
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7CWS
| SARS-CoV-2 Spike Proteins Trimer in Complex with FC05 and H014 Fabs Cocktail | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of FC05 Fab, ... | Authors: | Wang, L, Wang, X. | Deposit date: | 2020-08-31 | Release date: | 2020-12-16 | Last modified: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure-based development of human antibody cocktails against SARS-CoV-2. Cell Res., 31, 2021
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7C8U
| The crystal structure of COVID-19 main protease in complex with GC376 | Descriptor: | (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | Authors: | Luan, X, Shang, W, Wang, Y, Yin, W, Jiang, Y, Feng, S, Wang, Y, Liu, M, Zhou, R, Zhang, Z, Wang, F, Cheng, W, Gao, M, Wang, H, Wu, W, Tian, R, Tian, Z, Jin, Y, Jiang, H.W, Zhang, L, Xu, H.E, Zhang, S. | Deposit date: | 2020-06-03 | Release date: | 2020-06-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The crystal structure of COVID-19 main protease in complex with GC376 To Be Published
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