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7MO0
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BU of 7mo0 by Molmil
Crystal Structure of Nucleoporin NUP50 Ran-Binding Domain in Complex with Ran-GPPNHP
Descriptor: GTP-binding nuclear protein Ran, MAGNESIUM ION, Nuclear pore complex protein Nup50, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MO1
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BU of 7mo1 by Molmil
Crystal Structure of the ZnF1 of Nucleoporin NUP153 in complex with Ran-GDP
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MR7
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BU of 7mr7 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-075
Descriptor: 1,2-ETHANEDIOL, 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide, Bromodomain-containing protein 4
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MR8
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BU of 7mr8 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-076
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]benzoyl}-L-glutamic acid
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-076
To Be Published
7MNR
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BU of 7mnr by Molmil
Crystal Structure of the ZnF3 of Nucleoporin NUP358/RanBP2 in complex with Ran-GDP
Descriptor: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNX
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BU of 7mnx by Molmil
Crystal Structure of Nup358/RanBP2 Ran-binding domain 2 in complex with Ran-GPPNHP
Descriptor: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MO5
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BU of 7mo5 by Molmil
Crystal Structure of the ZnF4 of Nucleoporin NUP153 in complex with Ran-GDP
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNS
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BU of 7mns by Molmil
Crystal Structure of the ZnF4 of Nucleoporin NUP358/RanBP2 in complex with Ran-GDP
Descriptor: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNV
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BU of 7mnv by Molmil
Crystal Structure of the ZnF8 of Nucleoporin NUP358/RanBP2 in complex with Ran-GDP
Descriptor: E3 SUMO-protein ligase RanBP2, GLYCEROL, GTP-binding nuclear protein Ran, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MO4
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BU of 7mo4 by Molmil
Crystal Structure of the ZnF3 of Nucleoporin NUP153 in complex with Ran-GDP, resolution 2.4 Angstrom
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MO3
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BU of 7mo3 by Molmil
Crystal Structure of the ZnF3 of Nucleoporin NUP153 in complex with Ran-GDP, resolution 2.05 Angstrom
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MNY
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BU of 7mny by Molmil
Crystal Structure of Nup358/RanBP2 Ran-binding domain 3 in complex with Ran-GPPNHP
Descriptor: E3 SUMO-protein ligase RanBP2, GTP-binding nuclear protein Ran, MAGNESIUM ION, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7MO2
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BU of 7mo2 by Molmil
Crystal Structure of the ZnF2 of Nucleoporin NUP153 in complex with Ran-GDP
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bley, C.J, Nie, S, Mobbs, G.W, Petrovic, S, Gres, A.T, Liu, X, Mukherjee, S, Harvey, S, Huber, F.M, Lin, D.H, Brown, B, Tang, A.W, Rundlet, E.J, Correia, A.R, Chen, S, Regmi, S.G, Stevens, T.A, Jette, C.A, Dasso, M, Patke, A, Palazzo, A.F, Kossiakoff, A.A, Hoelz, A.
Deposit date:2021-05-01
Release date:2022-06-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Architecture of the cytoplasmic face of the nuclear pore.
Science, 376, 2022
7LTG
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BU of 7ltg by Molmil
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH APICIDIN
Descriptor: (3S,6S,9S,15aR)-9-[(2S)-butan-2-yl]-3-(6,6-dihydroxyoctyl)-6-[(1-methoxy-1H-indol-3-yl)methyl]octahydro-2H-pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Beshore, D.C.
Deposit date:2021-02-19
Release date:2021-05-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Redefining the Histone Deacetylase Inhibitor Pharmacophore: High Potency with No Zinc Cofactor Interaction.
Acs Med.Chem.Lett., 12, 2021
7LTK
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BU of 7ltk by Molmil
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN INHIBITOR THAT LACKS A ZINC BINDING GROUP (COMPOUND 12)
Descriptor: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Klein, D.J, Beshore, D.C.
Deposit date:2021-02-19
Release date:2021-05-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Redefining the Histone Deacetylase Inhibitor Pharmacophore: High Potency with No Zinc Cofactor Interaction.
Acs Med.Chem.Lett., 12, 2021
7LTL
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BU of 7ltl by Molmil
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH AN INHIBITOR LACKING A ZINC BINDING GROUP (COMPOUND 19)
Descriptor: (2R)-2-(5-hydroxy-2-methyl-1H-indol-3-yl)-N-{(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]pentyl}propanamide, ACETATE ION, CALCIUM ION, ...
Authors:Klein, D.J, Beshore, D.C.
Deposit date:2021-02-19
Release date:2021-05-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Redefining the Histone Deacetylase Inhibitor Pharmacophore: High Potency with No Zinc Cofactor Interaction.
Acs Med.Chem.Lett., 12, 2021
7LPS
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BU of 7lps by Molmil
Crystal structure of DDB1-CRBN-ALV1 complex bound to Helios (IKZF2 ZF2)
Descriptor: 3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Nowak, R.P, Fischer, E.S.
Deposit date:2021-02-12
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.78 Å)
Cite:Acute pharmacological degradation of Helios destabilizes regulatory T cells.
Nat.Chem.Biol., 17, 2021
7LRD
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BU of 7lrd by Molmil
Cryo-EM of the SLFN12-PDE3A complex: Consensus subset model
Descriptor: (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Fuller, J.R, Garvie, C.W, Lemke, C.T.
Deposit date:2021-02-16
Release date:2021-06-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
8P03
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BU of 8p03 by Molmil
48S late-stage initiation complex with m6A mRNA
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S11, 40S ribosomal protein S12, ...
Authors:Guca, E, Lima, L.H.F, Boissier, F, Hashem, Y.
Deposit date:2023-05-09
Release date:2024-03-20
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:N 6 -methyladenosine in 5' UTR does not promote translation initiation.
Mol.Cell, 84, 2024
7LRC
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BU of 7lrc by Molmil
Cryo-EM of the SLFN12-PDE3A complex: PDE3A body refinement
Descriptor: (4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Fuller, J.R, Garvie, C.W, Lemke, C.T.
Deposit date:2021-02-16
Release date:2021-06-09
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Nat Commun, 12, 2021
8QXO
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BU of 8qxo by Molmil
Cryo-EM structure of tetrameric human SAMHD1 State V - Depleted relaxed
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A.
Deposit date:2023-10-24
Release date:2024-05-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.43 Å)
Cite:Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
8QXN
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BU of 8qxn by Molmil
Cryo-EM structure of tetrameric human SAMHD1 State IV - Depleted relaxed
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A.
Deposit date:2023-10-24
Release date:2024-05-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
8QXL
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BU of 8qxl by Molmil
Cryo-EM structure of tetrameric human SAMHD1 State II - Hemi-relaxed
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A.
Deposit date:2023-10-24
Release date:2024-05-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
7MR9
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BU of 7mr9 by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to NC-II-153
Descriptor: 1,2-ETHANEDIOL, 2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one, Bromodomain-containing protein 4
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022
7MRA
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BU of 7mra by Molmil
Crystal structure of the first bromodomain (BD1) of human BRD4 bound to NC-II-259
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
Authors:Chan, A, Schonbrunn, E.
Deposit date:2021-05-07
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Bivalent BET Bromodomain Inhibitors Confer Increased Potency and Selectivity for BRDT via Protein Conformational Plasticity.
J.Med.Chem., 65, 2022

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