8IJK
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![BU of 8ijk by Molmil](/molmil-images/mine/8ijk) | human KCNQ2-CaM-Ebio1 complex in the presence of PIP2 | Descriptor: | Calmodulin-1, N-(1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide, Potassium voltage-gated channel subfamily KQT member 2 | Authors: | Ma, D, Guo, J. | Deposit date: | 2023-02-27 | Release date: | 2024-01-17 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | A small-molecule activation mechanism that directly opens the KCNQ2 channel. Nat.Chem.Biol., 2024
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5XVF
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![BU of 5xvf by Molmil](/molmil-images/mine/5xvf) | Crystal Structure of PAK4 in complex with inhibitor CZH062 | Descriptor: | 2-(4-azanylpiperidin-1-yl)-6-chloranyl-N-(1-methylimidazol-4-yl)quinazolin-4-amine, Serine/threonine-protein kinase PAK 4 | Authors: | Zhao, F, Li, H. | Deposit date: | 2017-06-27 | Release date: | 2018-02-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.655 Å) | Cite: | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors. J. Med. Chem., 61, 2018
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5XXI
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![BU of 5xxi by Molmil](/molmil-images/mine/5xxi) | Crystal structure of CYP2C9 in complex with multiple losartan molecules | Descriptor: | Cytochrome P450 2C9, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Maekawa, K, Adachi, M, Shah, M.B. | Deposit date: | 2017-07-04 | Release date: | 2017-10-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9 Biochemistry, 56, 2017
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7FAF
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![BU of 7faf by Molmil](/molmil-images/mine/7faf) | S protein of SARS-CoV-2 in complex bound with P36-5D2 (state1) | Descriptor: | P36-5D2 heavy chain, P36-5D2 light chain, Spike glycoprotein | Authors: | Zhang, L, Wang, X, Zhang, S, Shan, S. | Deposit date: | 2021-07-06 | Release date: | 2021-12-22 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.69 Å) | Cite: | A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants. Front Immunol, 12, 2021
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7FAE
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![BU of 7fae by Molmil](/molmil-images/mine/7fae) | S protein of SARS-CoV-2 in complex bound with P36-5D2(state2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, P36-5D2 heavy chain, ... | Authors: | Zhang, L, Wang, X, Shan, S, Zhang, S. | Deposit date: | 2021-07-06 | Release date: | 2021-12-22 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.65 Å) | Cite: | A Potent and Protective Human Neutralizing Antibody Against SARS-CoV-2 Variants. Front Immunol, 12, 2021
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7EMN
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![BU of 7emn by Molmil](/molmil-images/mine/7emn) | The atomic structure of SHP2 E76A mutant | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Luo, F, Xie, J.J, Zhu, J.D, Liu, C. | Deposit date: | 2021-04-14 | Release date: | 2021-05-05 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism. J.Biol.Chem., 296, 2021
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7FC3
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![BU of 7fc3 by Molmil](/molmil-images/mine/7fc3) | structure of NL63 receptor-binding domain complexed with horse ACE2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Wang, X.Q, Ge, J.W, Lan, J. | Deposit date: | 2021-07-13 | Release date: | 2021-09-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structural insights into the binding of SARS-CoV-2, SARS-CoV, and hCoV-NL63 spike receptor-binding domain to horse ACE2. Structure, 30, 2022
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7VK9
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![BU of 7vk9 by Molmil](/molmil-images/mine/7vk9) | Crystal structure of xCas9 P411T | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1 | Authors: | Bao, R, Liu, H.Y, Luo, Y.Z, Song, Y.J. | Deposit date: | 2021-09-29 | Release date: | 2022-04-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and Dynamics Studies of the Spcas9 Variant Provide Insights into the Regulatory Role of the REC1 Domain Acs Catalysis, 12, 2022
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7VAH
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![BU of 7vah by Molmil](/molmil-images/mine/7vah) | |
6O76
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![BU of 6o76 by Molmil](/molmil-images/mine/6o76) | Human cytosolic Histidyl-tRNA synthetase (HisRS) with WHEP domain | Descriptor: | CHLORIDE ION, Histidine--tRNA ligase, cytoplasmic | Authors: | Kuhle, B, Yang, X.L. | Deposit date: | 2019-03-07 | Release date: | 2019-09-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.787 Å) | Cite: | CMT disease severity correlates with mutation-induced open conformation of histidyl-tRNA synthetase, not aminoacylation loss, in patient cells. Proc.Natl.Acad.Sci.USA, 116, 2019
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8I0C
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![BU of 8i0c by Molmil](/molmil-images/mine/8i0c) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | Descriptor: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | Deposit date: | 2023-01-10 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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7WH8
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7WHB
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![BU of 7whb by Molmil](/molmil-images/mine/7whb) | SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (3U) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Zeng, J.W, Ge, J.W, Wang, X.Q. | Deposit date: | 2021-12-30 | Release date: | 2023-01-18 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 . Emerg Microbes Infect, 12, 2023
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7WHD
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![BU of 7whd by Molmil](/molmil-images/mine/7whd) | SARS-CoV-2 spike in complex with the ZB8 neutralizing antibody Fab (2u1d) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Zeng, J.W, Wang, X.W, Ge, J.W, Wang, Z.Y. | Deposit date: | 2021-12-30 | Release date: | 2023-01-18 | Last modified: | 2023-09-06 | Method: | ELECTRON MICROSCOPY (2.65 Å) | Cite: | SARS-CoV-2 hijacks neutralizing dimeric IgA for nasal infection and injury in Syrian hamsters 1 . Emerg Microbes Infect, 12, 2023
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7CRH
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![BU of 7crh by Molmil](/molmil-images/mine/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
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![BU of 7ckw by Molmil](/molmil-images/mine/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
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![BU of 7ckz by Molmil](/molmil-images/mine/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
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![BU of 7cky by Molmil](/molmil-images/mine/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
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![BU of 7ckx by Molmil](/molmil-images/mine/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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7BWJ
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![BU of 7bwj by Molmil](/molmil-images/mine/7bwj) | crystal structure of SARS-CoV-2 antibody with RBD | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody heavy chain, ... | Authors: | Wang, X, Ge, J. | Deposit date: | 2020-04-14 | Release date: | 2020-06-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Human neutralizing antibodies elicited by SARS-CoV-2 infection. Nature, 584, 2020
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7CL0
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![BU of 7cl0 by Molmil](/molmil-images/mine/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
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![BU of 7cl1 by Molmil](/molmil-images/mine/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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7CMK
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![BU of 7cmk by Molmil](/molmil-images/mine/7cmk) | E30 E-particle in complex with 6C5 | Descriptor: | Heavy chain, Light chain, VP1, ... | Authors: | Wang, K, Zhu, F, Rao, Z, Wang, X. | Deposit date: | 2020-07-27 | Release date: | 2020-08-12 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Serotype specific epitopes identified by neutralizing antibodies underpin immunogenic differences in Enterovirus B. Nat Commun, 11, 2020
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5YKR
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5YKT
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![BU of 5ykt by Molmil](/molmil-images/mine/5ykt) | |