7M80
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![BU of 7m80 by Molmil](/molmil-images/mine/7m80) | Human DNA Pol eta with dA-ended primer and dATP: in crystallo reaction for 100 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M86
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![BU of 7m86 by Molmil](/molmil-images/mine/7m86) | Human DNA Pol eta S113A with dA-ended primer and dATP: in crystallo reaction for 140 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7M8C
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![BU of 7m8c by Molmil](/molmil-images/mine/7m8c) | Human DNA Pol eta S113A with rA-ended primer and dATP: in crystallo reaction for 230 s | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DIPHOSPHATE, ... | Authors: | Gregory, M.T, Gao, Y, Yang, W. | Deposit date: | 2021-03-29 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Multiple deprotonation paths of the nucleophile 3'-OH in the DNA synthesis reaction. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MBR
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![BU of 7mbr by Molmil](/molmil-images/mine/7mbr) | Cryo-EM structure of zebrafish TRPM5 in the presence of 6 uM calcium (apo state) | Descriptor: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruan, Z, Lu, W, Du, J, Haley, E. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY | Cite: | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition. Nat.Struct.Mol.Biol., 28, 2021
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7MBS
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![BU of 7mbs by Molmil](/molmil-images/mine/7mbs) | Cryo-EM structure of zebrafish TRPM5 in the presence of 6 uM calcium (open state) | Descriptor: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruan, Z, Lu, W, Du, J, Haley, E. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY | Cite: | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition. Nat.Struct.Mol.Biol., 28, 2021
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7MBT
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![BU of 7mbt by Molmil](/molmil-images/mine/7mbt) | Cryo-EM structure of zebrafish TRPM5 E337A mutant in the presence of 5 mM calcium (low calcium occupancy in the transmembrane domain) | Descriptor: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruan, Z, Lu, W, Du, J, Haley, E. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY | Cite: | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition. Nat.Struct.Mol.Biol., 28, 2021
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7MBQ
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![BU of 7mbq by Molmil](/molmil-images/mine/7mbq) | Cryo-EM structure of zebrafish TRPM5 in the presence of 5 mM calcium | Descriptor: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruan, Z, Lu, W, Du, J, Haley, E. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition. Nat.Struct.Mol.Biol., 28, 2021
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7MBU
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![BU of 7mbu by Molmil](/molmil-images/mine/7mbu) | Cryo-EM structure of zebrafish TRPM5 E337A mutant in the presence of 5 mM calcium (high calcium occupancy in the transmembrane domain) | Descriptor: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruan, Z, Lu, W, Du, J, Haley, E. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY | Cite: | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition. Nat.Struct.Mol.Biol., 28, 2021
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7MBV
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![BU of 7mbv by Molmil](/molmil-images/mine/7mbv) | Cryo-EM structure of zebrafish TRPM5 in the presence of 5 mM calcium and 0.5 mM NDNA | Descriptor: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruan, Z, Lu, W, Du, J, Haley, E. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition. Nat.Struct.Mol.Biol., 28, 2021
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7MOY
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![BU of 7moy by Molmil](/molmil-images/mine/7moy) | Structure of HDAC2 in complex with an inhibitor (compound 19) | Descriptor: | (1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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7MOT
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![BU of 7mot by Molmil](/molmil-images/mine/7mot) | Structure of HDAC2 in complex with an inhibitor (compound 9) | Descriptor: | 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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7MOS
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![BU of 7mos by Molmil](/molmil-images/mine/7mos) | Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 4) | Descriptor: | (3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.704 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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7MOX
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![BU of 7mox by Molmil](/molmil-images/mine/7mox) | Structure of HDAC2 in complex with an inhibitor (compound 14) | Descriptor: | (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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7MOZ
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![BU of 7moz by Molmil](/molmil-images/mine/7moz) | Structure of HDAC2 in complex with a macrocyclic inhibitor (compound 25) | Descriptor: | (1R,3S,6S,18R,27R)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name), CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Klein, D.J, Yu, W. | Deposit date: | 2021-05-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.543 Å) | Cite: | Discovery of macrocyclic HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation. Bioorg.Med.Chem.Lett., 47, 2021
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7MSY
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![BU of 7msy by Molmil](/molmil-images/mine/7msy) | Structure of CalU17 from the Calicheamicin Biosynthesis Pathway of Micromonospora echinospora | Descriptor: | CALCIUM ION, CHLORIDE ION, CalU17, ... | Authors: | Kosgei, A.J, Miller, M.D, Xu, W, Van Lanen, S.G, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2021-05-12 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | The crystal structure of DynF from the dynemicin-biosynthesis pathway of Micromonospora chersina. Acta Crystallogr.,Sect.F, 78, 2022
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7ML6
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![BU of 7ml6 by Molmil](/molmil-images/mine/7ml6) | Structure of CalU17 from the Calicheamicin Biosynthesis Pathway of Micromonospora echinospora | Descriptor: | CalU17, GLYCEROL | Authors: | Kosgei, A.J, Miller, M.D, Xu, W, Van Lanen, S.G, Thorson, J.S, Phillips Jr, G.N. | Deposit date: | 2021-04-27 | Release date: | 2021-07-28 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of DynF from the dynemicin-biosynthesis pathway of Micromonospora chersina. Acta Crystallogr.,Sect.F, 78, 2022
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7MDW
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![BU of 7mdw by Molmil](/molmil-images/mine/7mdw) | |
7MEJ
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![BU of 7mej by Molmil](/molmil-images/mine/7mej) | |
7ME7
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![BU of 7me7 by Molmil](/molmil-images/mine/7me7) | |
7MMN
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![BU of 7mmn by Molmil](/molmil-images/mine/7mmn) | |
7MWX
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![BU of 7mwx by Molmil](/molmil-images/mine/7mwx) | Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2 with tamarin CD81 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy Chain, ... | Authors: | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | Deposit date: | 2021-05-17 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Structural insights into hepatitis C virus receptor binding and entry. Nature, 598, 2021
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7MWS
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![BU of 7mws by Molmil](/molmil-images/mine/7mws) | Crystal structure of tamarin CD81 large extracellular loop | Descriptor: | CD81 protein, GLYCEROL, TETRAETHYLENE GLYCOL | Authors: | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | Deposit date: | 2021-05-17 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into hepatitis C virus receptor binding and entry. Nature, 598, 2021
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7MWW
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![BU of 7mww by Molmil](/molmil-images/mine/7mww) | Structure of hepatitis C virus envelope full-length glycoprotein 2 (eE2) from J6 genotype | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy chain, ... | Authors: | Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J. | Deposit date: | 2021-05-17 | Release date: | 2021-09-15 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Structural insights into hepatitis C virus receptor binding and entry. Nature, 598, 2021
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7MBP
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![BU of 7mbp by Molmil](/molmil-images/mine/7mbp) | Cryo-EM structure of zebrafish TRPM5 in the presence of 1 mM EDTA | Descriptor: | (25R)-14beta,17beta-spirost-5-en-3beta-ol, (2R)-2-(hydroxymethyl)-4-{[(25R)-10alpha,14beta,17beta-spirost-5-en-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ruan, Z, Lu, W, Du, J, Haley, E. | Deposit date: | 2021-04-01 | Release date: | 2021-09-22 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structures of the TRPM5 channel elucidate mechanisms of activation and inhibition. Nat.Struct.Mol.Biol., 28, 2021
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7AGA
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![BU of 7aga by Molmil](/molmil-images/mine/7aga) | Structure of SARS-CoV-2 Main Protease bound to AT7519 | Descriptor: | 3C-like proteinase, 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CHLORIDE ION, ... | Authors: | Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Andaleeb, H, Werner, N, Falke, S, Hinrichs, W, Alves Franca, B, Schwinzer, M, Brognaro, H, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Boger, J, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | Deposit date: | 2020-09-22 | Release date: | 2020-12-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science, 372, 2021
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