8GT5
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![BU of 8gt5 by Molmil](/molmil-images/mine/8gt5) | Crystal structure of human cardiac alpha actin Q137A mutant (ADP-Pi state) in complex with fragmin F1 domain | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | Authors: | Iwasa, M, Oda, T, Takeda, S. | Deposit date: | 2022-09-07 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Mutagenic analysis of actin reveals the mechanism of His161 flipping that triggers ATP hydrolysis. Front Cell Dev Biol, 11, 2023
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8GT3
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![BU of 8gt3 by Molmil](/molmil-images/mine/8gt3) | Crystal structure of human cardiac alpha actin P109A mutant (ADP-Pi state) in complex with fragmin F1 domain | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | Authors: | Iwasa, M, Oda, T, Takeda, S. | Deposit date: | 2022-09-07 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Mutagenic analysis of actin reveals the mechanism of His161 flipping that triggers ATP hydrolysis. Front Cell Dev Biol, 11, 2023
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8GT0
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![BU of 8gt0 by Molmil](/molmil-images/mine/8gt0) | Structure of falcipain and human Stefin A complex | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ... | Authors: | Chakraborty, S, Biswas, S. | Deposit date: | 2022-09-07 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | Structure of falcipain and human Stefin A complex To Be Published
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8GT7
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![BU of 8gt7 by Molmil](/molmil-images/mine/8gt7) | Structure of falcipain and human Stefin A mutant complex | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Cystatin-A, ... | Authors: | Chakraborty, S, Biswas, S. | Deposit date: | 2022-09-07 | Release date: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.28 Å) | Cite: | Structure of falcipain and human Stefin A complex To Be Published
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8EER
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![BU of 8eer by Molmil](/molmil-images/mine/8eer) | |
8AZR
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![BU of 8azr by Molmil](/molmil-images/mine/8azr) | KRAS in complex with precursor 1 | Descriptor: | (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8AZV
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![BU of 8azv by Molmil](/molmil-images/mine/8azv) | KRAS in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8AZX
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![BU of 8azx by Molmil](/molmil-images/mine/8azx) | KRAS-G12C in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8AZY
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![BU of 8azy by Molmil](/molmil-images/mine/8azy) | KRAS-G12D in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8B00
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![BU of 8b00 by Molmil](/molmil-images/mine/8b00) | KRAS-G13D in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8AZZ
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![BU of 8azz by Molmil](/molmil-images/mine/8azz) | KRAS-G12V in complex with BI-2865 | Descriptor: | (4S)-2-azanyl-4-methyl-4-[3-[4-[(1S)-1-[(2S)-1-methylpyrrolidin-1-ium-2-yl]ethoxy]pyrimidin-2-yl]-1,2,4-oxadiazol-5-yl]-6,7-dihydro-5H-1-benzothiophene-3-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Boettcher, J, Herdeis, L. | Deposit date: | 2022-09-06 | Release date: | 2023-06-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth. Nature, 619, 2023
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8GSF
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![BU of 8gsf by Molmil](/molmil-images/mine/8gsf) | Echovirus3 empty particle in complex with 6D10 Fab (sideling) | Descriptor: | Heavy chain of 6D10, Light chain of 6D10, VP0, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-09-06 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody. Viruses, 14, 2022
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8GSD
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![BU of 8gsd by Molmil](/molmil-images/mine/8gsd) | Echovirus3 full particle in complex with 6D10 Fab | Descriptor: | Genome polyprotein, Genome polyprotein (Fragment), Heavy chain of 6D10, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-09-06 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody. Viruses, 14, 2022
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8GSE
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![BU of 8gse by Molmil](/molmil-images/mine/8gse) | Echovirus3 capsid protein in complex with 6D10 Fab (upright) | Descriptor: | Heavy chain of 6D10, Light chain of 6D10, VP0, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-09-06 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody. Viruses, 14, 2022
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8GSC
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![BU of 8gsc by Molmil](/molmil-images/mine/8gsc) | Echovirus3 A-particle in complex with 6D10 Fab | Descriptor: | Heavy chain of 6D10, Light chain of 6D10, VP1, ... | Authors: | Wang, X, Fu, W. | Deposit date: | 2022-09-06 | Release date: | 2022-12-14 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural Basis for the Immunogenicity of the C-Terminus of VP1 of Echovirus 3 Revealed by the Binding of a Neutralizing Antibody. Viruses, 14, 2022
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8GSG
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![BU of 8gsg by Molmil](/molmil-images/mine/8gsg) | T3R3 form of Human insulin with single Zn | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | Authors: | Zhu, Z.L. | Deposit date: | 2022-09-06 | Release date: | 2023-03-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | T3R3 insulin with single Zn To Be Published
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8EEB
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![BU of 8eeb by Molmil](/molmil-images/mine/8eeb) | Cryo-EM structure of human ABCA7 in Digitonin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phospholipid-transporting ATPase ABCA7, ... | Authors: | Alam, A, Le, L.T.M, Thompson, J.R. | Deposit date: | 2022-09-06 | Release date: | 2022-12-21 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structures of human ABCA7 provide insights into its phospholipid translocation mechanisms. Embo J., 42, 2023
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8GSQ
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![BU of 8gsq by Molmil](/molmil-images/mine/8gsq) | Structure based studies reveal an atypical antipsychotic drug candidate - Paliperidone as a potent hSOD1 modulator with implications in ALS treatment. | Descriptor: | (9~{R})-3-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-oxidanyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one, GLYCEROL, Superoxide dismutase [Cu-Zn], ... | Authors: | Aouti, S, Padmanabhan, B. | Deposit date: | 2022-09-06 | Release date: | 2023-06-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based discovery of an antipsychotic drug, paliperidone, as a modulator of human superoxide dismutase 1: a potential therapeutic target in amyotrophic lateral sclerosis. Acta Crystallogr D Struct Biol, 79, 2023
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8EE6
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![BU of 8ee6 by Molmil](/molmil-images/mine/8ee6) | Cryo-EM Structure of human ABCA7 in PE/Ch nanodiscs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phospholipid-transporting ATPase ABCA7, ... | Authors: | Alam, A, Le, L.T.M, Thompson, J.R. | Deposit date: | 2022-09-06 | Release date: | 2022-12-21 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (4 Å) | Cite: | Cryo-EM structures of human ABCA7 provide insights into its phospholipid translocation mechanisms. Embo J., 42, 2023
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8EDW
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![BU of 8edw by Molmil](/molmil-images/mine/8edw) | Cryo-EM Structure of human ABCA7 in BPL/Ch Nanodiscs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Alam, A, Le, L.T.M, Thompson, J.R. | Deposit date: | 2022-09-06 | Release date: | 2022-12-21 | Last modified: | 2023-02-15 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structures of human ABCA7 provide insights into its phospholipid translocation mechanisms. Embo J., 42, 2023
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8GSP
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![BU of 8gsp by Molmil](/molmil-images/mine/8gsp) | Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody W2 | Descriptor: | A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ... | Authors: | He, Y, Li, K. | Deposit date: | 2022-09-06 | Release date: | 2023-10-11 | Last modified: | 2023-12-06 | Method: | ELECTRON MICROSCOPY (3.75 Å) | Cite: | Conserved antigen structures and antibody-driven variations on foot-and-mouth disease virus serotype A revealed by bovine neutralizing monoclonal antibodies. Plos Pathog., 19, 2023
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8EDY
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![BU of 8edy by Molmil](/molmil-images/mine/8edy) | |
8AYY
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![BU of 8ayy by Molmil](/molmil-images/mine/8ayy) | Poliovirus type 3 (strain Saukett) stabilised virus-like particle (PV3 SC8) in complex with GSH and Pleconaril | Descriptor: | 3-{3,5-DIMETHYL-4-[3-(3-METHYL-ISOXAZOL-5-YL)-PROPOXY]-PHENYL}-5-TRIFLUOROMETHYL-[1,2,4]OXADIAZOLE, Capsid protein, VP0, ... | Authors: | Bahar, M.W, Fry, E.E, Stuart, D.I. | Deposit date: | 2022-09-04 | Release date: | 2022-12-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | A conserved glutathione binding site in poliovirus is a target for antivirals and vaccine stabilisation. Commun Biol, 5, 2022
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8AYX
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![BU of 8ayx by Molmil](/molmil-images/mine/8ayx) | Poliovirus type 3 (strain Saukett) stabilised virus-like particle (PV3 SC8) in complex with GSH and GPP3 | Descriptor: | 1-[(3S)-5-[4-[(E)-ETHOXYIMINOMETHYL]PHENOXY]-3-METHYL-PENTYL]-3-PYRIDIN-4-YL-IMIDAZOLIDIN-2-ONE, Capsid protein, VP0, ... | Authors: | Bahar, M.W, Fry, E.E, Stuart, D.I. | Deposit date: | 2022-09-04 | Release date: | 2022-12-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | A conserved glutathione binding site in poliovirus is a target for antivirals and vaccine stabilisation. Commun Biol, 5, 2022
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8AYZ
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![BU of 8ayz by Molmil](/molmil-images/mine/8ayz) | Poliovirus type 2 (strain MEF-1) virus-like particle in complex with capsid binder compound 17 | Descriptor: | 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid, Capsid protein, VP0, ... | Authors: | Bahar, M.W, Fry, E.E, Stuart, D.I. | Deposit date: | 2022-09-04 | Release date: | 2022-12-07 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (1.88 Å) | Cite: | A conserved glutathione binding site in poliovirus is a target for antivirals and vaccine stabilisation. Commun Biol, 5, 2022
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