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2L3R
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BU of 2l3r by Molmil
NMR structure of UHRF1 Tandem Tudor Domains in a complex with Histone H3 peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, Histone H3
Authors:Nady, N, Lemak, A, Fares, C, Gutmanas, A, Avvakumov, G, Xue, S, Arrowsmith, C, Structural Genomics Consortium (SGC)
Deposit date:2010-09-21
Release date:2011-04-13
Last modified:2020-02-05
Method:SOLUTION NMR
Cite:Recognition of Multivalent Histone States Associated with Heterochromatin by UHRF1 Protein.
J.Biol.Chem., 286, 2011
4F09
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BU of 4f09 by Molmil
Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
Descriptor: 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
Authors:Murray, J.M.
Deposit date:2012-05-03
Release date:2012-07-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
3T9B
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BU of 3t9b by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with AMPPNP at pH 5.2
Descriptor: Inositol Pyrophosphate Kinase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Wang, H, Falck, J, Hall, T.M.T, Shears, S.B.
Deposit date:2011-08-02
Release date:2011-12-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
3TCL
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BU of 3tcl by Molmil
Crystal Structure of HIV-1 Neutralizing Antibody CH04
Descriptor: CH04 Heavy Chain Fab, CH04 Light Chain Fab, IMIDAZOLE
Authors:Louder, R.K, McLellan, J.S, Pancera, M, Yang, Y, Zhang, B, Bonsignori, M, Kwong, P.D.
Deposit date:2011-08-09
Release date:2011-11-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.906 Å)
Cite:Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
3TGT
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BU of 3tgt by Molmil
Crystal structure of unliganded HIV-1 clade A/E strain 93TH057 gp120 core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 clade A/E 93TH057 gp120
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2011-08-17
Release date:2012-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
7M0G
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BU of 7m0g by Molmil
Magic Angle Spinning NMR Structure of Human Cofilin-2 Assembled on Actin Filaments
Descriptor: Cofilin-2
Authors:Kraus, J, Polenova, T, Perilla, J.P, Xu, C.
Deposit date:2021-03-10
Release date:2022-04-20
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:Magic angle spinning NMR structure of human cofilin-2 assembled on actin filaments reveals isoform-specific conformation and binding mode.
Nat Commun, 13, 2022
2LWE
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BU of 2lwe by Molmil
Solution structure of mutant (T170E) second CARD of human RIG-I
Descriptor: Probable ATP-dependent RNA helicase DDX58
Authors:Dutta, K, Ferrage, F, Aggarwal, A.
Deposit date:2012-07-27
Release date:2012-10-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure and Dynamics of the Second CARD of Human RIG-I Provide Mechanistic Insights into Regulation of RIG-I Activation.
Structure, 20, 2012
4G1Q
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BU of 4g1q by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with Rilpivirine (TMC278, Edurant), a non-nucleoside rt-inhibiting drug
Descriptor: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, MAGNESIUM ION, ...
Authors:Bauman, J.D, Patel, D, Das, K, Arnold, E.
Deposit date:2012-07-11
Release date:2013-02-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Snapshot of the equilibrium dynamics of a drug bound to HIV-1 reverse transcriptase.
Nat Chem, 5, 2013
4G2S
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BU of 4g2s by Molmil
Crystal structure of a Salmonella type III secretion system protein
Descriptor: CALCIUM ION, Protein prgH
Authors:Worrall, L.J, Vuckovic, M, Strynadka, N.C.J.
Deposit date:2012-07-12
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.858 Å)
Cite:A Refined Model of the Prototypical Salmonella SPI-1 T3SS Basal Body Reveals the Molecular Basis for Its Assembly.
Plos Pathog., 9, 2013
4G31
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BU of 4g31 by Molmil
Crystal Structure of GSK6414 Bound to PERK (R587-R1092, delete A660-T867) at 2.28 A Resolution
Descriptor: 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL
Authors:Gampe, R.T, Axten, J.M.
Deposit date:2012-07-13
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
3T7A
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BU of 3t7a by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP at pH 5.2
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Wang, H, Falck, J, Hall, T.M.T, Shears, S.B.
Deposit date:2011-07-29
Release date:2011-12-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
3T54
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BU of 3t54 by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ATP and Cadmium
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, Inositol Pyrophosphate Kinase
Authors:Wang, H, Falck, J, Hall, T.M.T, Shears, S.B.
Deposit date:2011-07-26
Release date:2011-12-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
3T9F
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BU of 3t9f by Molmil
Crystal structure of the catalytic domain of human diphosphoinositol pentakisphosphate kinase 2 (PPIP5K2) in complex with ADP and 1,5-(PP)2-IP4 (1,5-IP8)
Descriptor: (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)], ADENOSINE-5'-DIPHOSPHATE, CADMIUM ION, ...
Authors:Wang, H, Falck, J, Hall, T.M.T, Shears, S.B.
Deposit date:2011-08-02
Release date:2011-12-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for an inositol pyrophosphate kinase surmounting phosphate crowding.
Nat.Chem.Biol., 8, 2011
4G9F
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BU of 4g9f by Molmil
Crystal Structure of C12C TCR-HLAB2705-KK10-L6M
Descriptor: Beta-2-microglobulin, Gag protein, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Wilmann, P.G, Rossjohn, J.
Deposit date:2012-07-23
Release date:2013-03-20
Last modified:2020-04-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Molecular Basis for the Control of Preimmune Escape Variants by HIV-Specific CD8(+) T Cells.
Immunity, 38, 2013
2LWD
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BU of 2lwd by Molmil
Solution structure of second CARD of human RIG-I
Descriptor: Probable ATP-dependent RNA helicase DDX58
Authors:Dutta, K, Ferrage, F, Aggarwal, A.
Deposit date:2012-07-27
Release date:2012-10-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure and Dynamics of the Second CARD of Human RIG-I Provide Mechanistic Insights into Regulation of RIG-I Activation.
Structure, 20, 2012
7NO8
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BU of 7no8 by Molmil
Structure of the mature RSV CA lattice: Group I, pentamer-hexamer interface, class 1"6
Descriptor: Capsid protein p27, alternate cleaved 1
Authors:Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A.
Deposit date:2021-02-25
Release date:2021-04-21
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (7.9 Å)
Cite:Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer.
Nat Commun, 12, 2021
7NOM
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BU of 7nom by Molmil
Structure of the mature RSV CA lattice: Group IV, hexamer-hexamer interface, class 4'Beta
Descriptor: Capsid protein p27, alternate cleaved 1
Authors:Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A.
Deposit date:2021-02-25
Release date:2021-04-21
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer.
Nat Commun, 12, 2021
4FXJ
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BU of 4fxj by Molmil
Structure of M2 pyruvate kinase in complex with phenylalanine
Descriptor: PHENYLALANINE, PHOSPHATE ION, Pyruvate kinase isozymes M1/M2
Authors:Walkinshaw, M.D, Morgan, H.P.
Deposit date:2012-07-03
Release date:2013-03-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:M2 pyruvate kinase provides a mechanism for nutrient sensing and regulation of cell proliferation.
Proc.Natl.Acad.Sci.USA, 110, 2013
7NO6
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BU of 7no6 by Molmil
Structure of the mature RSV CA lattice: Group I, pentamer-hexamer interface, class 1
Descriptor: Capsid protein p27, alternate cleaved 1
Authors:Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A.
Deposit date:2021-02-25
Release date:2021-04-21
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer.
Nat Commun, 12, 2021
7NOG
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BU of 7nog by Molmil
Structure of the mature RSV CA lattice: Group III, hexamer-hexamer interface, class 4'5
Descriptor: Capsid protein p27, alternate cleaved 1
Authors:Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A.
Deposit date:2021-02-25
Release date:2021-04-21
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite:Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer.
Nat Commun, 12, 2021
7NO0
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BU of 7no0 by Molmil
Structure of the mature RSV CA lattice: T=1 CA icosahedron
Descriptor: Capsid protein p27, alternate cleaved 1
Authors:Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A.
Deposit date:2021-02-25
Release date:2021-04-21
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer.
Nat Commun, 12, 2021
7NOB
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BU of 7nob by Molmil
Structure of the mature RSV CA lattice: Group II, hexamer-hexamer interface, class 2'6
Descriptor: Capsid protein p27, alternate cleaved 1
Authors:Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A.
Deposit date:2021-02-25
Release date:2021-04-21
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer.
Nat Commun, 12, 2021
7NON
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BU of 7non by Molmil
Structure of the mature RSV CA lattice: Group IV, hexamer-hexamer interface, class 4'Gamma
Descriptor: Capsid protein p27, alternate cleaved 1
Authors:Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A.
Deposit date:2021-02-25
Release date:2021-04-21
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer.
Nat Commun, 12, 2021
7NO1
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BU of 7no1 by Molmil
Structure of the mature RSV CA lattice: T=3 CA icosahedron
Descriptor: Capsid protein p27, alternate cleaved 1
Authors:Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A.
Deposit date:2021-02-25
Release date:2021-04-21
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer.
Nat Commun, 12, 2021
7NOE
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BU of 7noe by Molmil
Structure of the mature RSV CA lattice: Group III, hexamer-hexamer interface, class 3'5
Descriptor: Capsid protein p27, alternate cleaved 1
Authors:Obr, M, Ricana, C.L, Nikulin, N, Feathers, J.-P.R, Klanschnig, M, Thader, A, Johnson, M.C, Vogt, V.M, Schur, F.K.M, Dick, R.A.
Deposit date:2021-02-25
Release date:2021-04-21
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (7.5 Å)
Cite:Structure of the mature Rous sarcoma virus lattice reveals a role for IP6 in the formation of the capsid hexamer.
Nat Commun, 12, 2021

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