9EO0
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![BU of 9eo0 by Molmil](/molmil-images/mine/9eo0) | Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 | Descriptor: | Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide | Authors: | Plewka, J, Hec, A, Sitar, T, Holak, T. | Deposit date: | 2024-03-14 | Release date: | 2024-06-19 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction. Acs Med.Chem.Lett., 15, 2024
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8ZC2
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![BU of 8zc2 by Molmil](/molmil-images/mine/8zc2) | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate | 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 D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-29 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (7.82 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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8WKX
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![BU of 8wkx by Molmil](/molmil-images/mine/8wkx) | Cryo-EM structure of DSR2 | Descriptor: | SIR2-like domain-containing protein | Authors: | Gao, A, Huang, J, Zhu, K. | Deposit date: | 2023-09-28 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (4.15 Å) | Cite: | Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion. Nat Commun, 15, 2024
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9B9R
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![BU of 9b9r by Molmil](/molmil-images/mine/9b9r) | |
8ZC6
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![BU of 8zc6 by Molmil](/molmil-images/mine/8zc6) | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-29 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (6.85 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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8WKS
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![BU of 8wks by Molmil](/molmil-images/mine/8wks) | Cryo-EM structure of DSR2-TUBE complex | Descriptor: | SIR2-like domain-containing protein, TUBE | Authors: | Gao, A, Huang, J, Zhu, K. | Deposit date: | 2023-09-28 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.58 Å) | Cite: | Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion. Nat Commun, 15, 2024
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9AYL
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![BU of 9ayl by Molmil](/molmil-images/mine/9ayl) | Cryo-EM structure of human Cav3.2 with ACT-709478 | Descriptor: | 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Fan, X, Huang, J, Yan, N. | Deposit date: | 2024-03-08 | Release date: | 2024-04-24 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for human Ca v 3.2 inhibition by selective antagonists. Cell Res., 34, 2024
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9AYG
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![BU of 9ayg by Molmil](/molmil-images/mine/9ayg) | Cryo-EM structure of apo state human Cav3.2 | Descriptor: | 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Fan, X, Huang, J, Yan, N. | Deposit date: | 2024-03-07 | Release date: | 2024-04-24 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis for human Ca v 3.2 inhibition by selective antagonists. Cell Res., 34, 2024
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9AYH
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![BU of 9ayh by Molmil](/molmil-images/mine/9ayh) | Cryo-EM structure of human Cav3.2 with TTA-A2 | Descriptor: | 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-(4-cyclopropylphenyl)-N-{(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl}acetamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fan, X, Huang, J, Yan, N. | Deposit date: | 2024-03-07 | Release date: | 2024-04-24 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for human Ca v 3.2 inhibition by selective antagonists. Cell Res., 34, 2024
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8Z9Q
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![BU of 8z9q by Molmil](/molmil-images/mine/8z9q) | Cryo-EM structure of Thogoto virus polymerase in a replication reception conformation | Descriptor: | Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-D(*(ATP))-R(P*GP*CP*AP*AP*AP*AP*AP*CP*A)-3'), ... | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | Deposit date: | 2024-04-23 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.33 Å) | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses. Nat Commun, 15, 2024
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8Z8X
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![BU of 8z8x by Molmil](/molmil-images/mine/8z8x) | Cryo-EM structure of Thogoto virus polymerase in a transcription initiation conformation | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Polymerase acidic protein, Polymerase basic protein 2, ... | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | Deposit date: | 2024-04-22 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.06 Å) | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses. Nat Commun, 15, 2024
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8Z98
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![BU of 8z98 by Molmil](/molmil-images/mine/8z98) | Cryo-EM structure of Thogoto virus polymerase in a transcription reception conformation | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE, Polymerase acidic protein, Polymerase basic protein 2, ... | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | Deposit date: | 2024-04-22 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.52 Å) | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses. Nat Commun, 15, 2024
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8WEX
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![BU of 8wex by Molmil](/molmil-images/mine/8wex) | |
8Z90
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![BU of 8z90 by Molmil](/molmil-images/mine/8z90) | Cryo-EM structure of Thogoto virus polymerase in transcription initiation conformation 2 | Descriptor: | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Polymerase acidic protein, Polymerase basic protein 2, ... | Authors: | Xue, L, Chang, T, Li, Z, Zhao, H, Li, M, He, J, Chen, X, Xiong, X. | Deposit date: | 2024-04-22 | Release date: | 2024-05-29 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | Cryo-EM structures of Thogoto virus polymerase reveal unique RNA transcription and replication mechanisms among orthomyxoviruses. Nat Commun, 15, 2024
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8WKT
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![BU of 8wkt by Molmil](/molmil-images/mine/8wkt) | Cryo-EM structure of DSR2-DSAD1 complex | Descriptor: | SIR2-like domain-containing protein, SPbeta prophage-derived uncharacterized protein YotI | Authors: | Gao, A, Huang, J, Zhu, K. | Deposit date: | 2023-09-28 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.86 Å) | Cite: | Molecular basis of bacterial DSR2 anti-phage defense and viral immune evasion. Nat Commun, 15, 2024
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8ZC3
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![BU of 8zc3 by Molmil](/molmil-images/mine/8zc3) | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (1 RBD up) | 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 D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.69 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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8XIF
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![BU of 8xif by Molmil](/molmil-images/mine/8xif) | The crystal structure of the AEP domain of VACV D5 | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117 | Authors: | Gan, J, Zhang, W. | Deposit date: | 2023-12-19 | Release date: | 2024-05-01 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural and functional insights into the helicase protein E5 of Mpox virus. Cell Discov, 10, 2024
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8XJ8
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![BU of 8xj8 by Molmil](/molmil-images/mine/8xj8) | The Cryo-EM structure of MPXV E5 C-terminal in complex with DNA | Descriptor: | DNA (70-MER), MAGNESIUM ION, Monkeypox virus E5, ... | Authors: | Zhang, W, Liu, Y, Gao, H, Gan, J. | Deposit date: | 2023-12-20 | Release date: | 2024-05-01 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.67 Å) | Cite: | Structural and functional insights into the helicase protein E5 of Mpox virus. Cell Discov, 10, 2024
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8ZC5
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![BU of 8zc5 by Molmil](/molmil-images/mine/8zc5) | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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9B9V
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![BU of 9b9v by Molmil](/molmil-images/mine/9b9v) | |
8X5N
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![BU of 8x5n by Molmil](/molmil-images/mine/8x5n) | Tetramer Gabija with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Endonuclease GajA, Gabija protein GajB, ... | Authors: | Li, J, Wang, Z, Wang, L. | Deposit date: | 2023-11-17 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structures and activation mechanism of the Gabija anti-phage system. Nature, 629, 2024
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8WY4
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![BU of 8wy4 by Molmil](/molmil-images/mine/8wy4) | GajA tetramer with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Endonuclease GajA | Authors: | Li, J, Wang, Z, Wang, L. | Deposit date: | 2023-10-30 | Release date: | 2024-02-28 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Structures and activation mechanism of the Gabija anti-phage system. Nature, 629, 2024
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8ZBZ
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![BU of 8zbz by Molmil](/molmil-images/mine/8zbz) | SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with 3 D1F6 Fabs (1 RBD up) | 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 D1F6 Fab, ... | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | Deposit date: | 2024-04-28 | Release date: | 2024-05-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (4.71 Å) | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike. Cell Rep, 43, 2024
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4UWK
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![BU of 4uwk by Molmil](/molmil-images/mine/4uwk) | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | Descriptor: | (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one, GLYCEROL, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, ... | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | Deposit date: | 2014-08-12 | Release date: | 2014-11-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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4UWL
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![BU of 4uwl by Molmil](/molmil-images/mine/4uwl) | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | Descriptor: | (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | Deposit date: | 2014-08-12 | Release date: | 2014-11-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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