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PDB: 12920 results

7M80
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BU of 7m80 by Molmil
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
7M86
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BU of 7m86 by Molmil
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
7M8C
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BU of 7m8c by Molmil
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
7MBR
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BU of 7mbr by Molmil
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
7MBS
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BU of 7mbs by Molmil
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
7MBT
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BU of 7mbt by Molmil
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
7MBQ
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BU of 7mbq by Molmil
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
7MBU
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BU of 7mbu by Molmil
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
7MBV
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BU of 7mbv by Molmil
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
7MOY
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BU of 7moy by Molmil
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
7MOT
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BU of 7mot by Molmil
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
7MOS
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BU of 7mos by Molmil
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
7MOX
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BU of 7mox by Molmil
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
7MOZ
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BU of 7moz by Molmil
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
7MSY
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BU of 7msy by Molmil
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
7ML6
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BU of 7ml6 by Molmil
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
7MDW
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BU of 7mdw by Molmil
CryoEM structure of SARS-CoV-2 RBD in complex with nanobodies Nb21 and Nb105
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, nanobody Nb105, ...
Authors:Huang, W, Taylor, D.J.
Deposit date:2021-04-06
Release date:2021-08-11
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Potent neutralizing nanobodies resist convergent circulating variants of SARS-CoV-2 by targeting diverse and conserved epitopes
Nat Commun, 12, 2021
7MEJ
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BU of 7mej by Molmil
CryoEM structure of SARS-CoV-2 RBD in complex with nanobodies Nb21 and Nb36
Descriptor: Nanobody Nb21, Nanobody Nb36, Spike protein S1
Authors:Huang, W, Taylor, D.J.
Deposit date:2021-04-06
Release date:2021-08-11
Method:ELECTRON MICROSCOPY (3.55 Å)
Cite:Potent neutralizing nanobodies resist convergent circulating variants of SARS-CoV-2 by targeting diverse and conserved epitopes
Nat Commun, 12, 2021
7ME7
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BU of 7me7 by Molmil
CryoEM structure of SARS-CoV-2 RBD in complex with nanobodies Nb17 and Nb105
Descriptor: Nanobody Nb105, Nanobody Nb17, Spike protein S1
Authors:Huang, W, Taylor, D.J.
Deposit date:2021-04-06
Release date:2021-08-11
Method:ELECTRON MICROSCOPY (3.73 Å)
Cite:Potent neutralizing nanobodies resist convergent circulating variants of SARS-CoV-2 by targeting diverse and conserved epitopes
Nat Commun, 12, 2021
7MMN
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BU of 7mmn by Molmil
Crystal Structure of the Prefusion RSV F Glycoprotein bound by human antibody AM14
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM14 Fab Heavy Chain, AM14 Fab Light Chain, ...
Authors:Harshbarger, W, Malito, E.
Deposit date:2021-04-29
Release date:2021-09-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.57 Å)
Cite:Improved epitope resolution of the prefusion trimer-specific antibody AM14 bound to the RSV F glycoprotein.
Mabs, 13, 2021
7MWX
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BU of 7mwx by Molmil
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
7MWS
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BU of 7mws by Molmil
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
7MWW
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BU of 7mww by Molmil
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
7MBP
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BU of 7mbp by Molmil
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
7AGA
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BU of 7aga by Molmil
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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