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PDB: 91 results

4X0K
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BU of 4x0k by Molmil
Engineered Fab fragment specific for EYMPME (EE) peptide
Descriptor: Fab fragment heavy chain, Fab fragment light chain
Authors:Johnson, J.L, Lieberman, R.L.
Deposit date:2014-11-21
Release date:2015-04-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural and biophysical characterization of an epitope-specific engineered Fab fragment and complexation with membrane proteins: implications for co-crystallization.
Acta Crystallogr.,Sect.D, 71, 2015
1A6C
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BU of 1a6c by Molmil
STRUCTURE OF TOBACCO RINGSPOT VIRUS
Descriptor: TOBACCO RINGSPOT VIRUS CAPSID PROTEIN
Authors:Johnson, J.E, Chandrasekar, V.
Deposit date:1998-02-23
Release date:1998-07-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The structure of tobacco ringspot virus: a link in the evolution of icosahedral capsids in the picornavirus superfamily.
Structure, 6, 1998
6WGX
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BU of 6wgx by Molmil
Cocrystal of BRD4(D1) with a selective inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4
Authors:Johnson, J.A, Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2020-04-06
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Selective N-Terminal BET Bromodomain Inhibitors by Targeting Non-Conserved Residues and Structured Water Displacement*.
Angew.Chem.Int.Ed.Engl., 60, 2021
7M16
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BU of 7m16 by Molmil
Triazole-based BET family bromodomain inhibitor bound to BRD4(D1)
Descriptor: 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidine-1-carboximidamide, Bromodomain-containing protein 4
Authors:Johnson, J.A, Pomerantz, W.
Deposit date:2021-03-12
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Systematically Mitigating the p38alpha Activity of Triazole-based BET Inhibitors
ACS Med. Chem. Lett., 10, 2019
7JT4
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BU of 7jt4 by Molmil
Crystal Structure of BPTF bromodomain labelled with 5-fluoro-tryptophan
Descriptor: Nucleosome-remodeling factor subunit BPTF
Authors:Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2020-08-17
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor
Org.Biomol.Chem., 17, 2019
4NXS
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BU of 4nxs by Molmil
Crystal structure of human alpha-galactosidase A in complex with 1-deoxygalactonojirimycin-pFPhT
Descriptor: (2R,3S,4R,5S)-N-(4-fluorophenyl)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Johnson, J.L, Drury, J.E, Lieberman, R.L.
Deposit date:2013-12-09
Release date:2014-06-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5493 Å)
Cite:Molecular Basis of 1-Deoxygalactonojirimycin Arylthiourea Binding to Human alpha-Galactosidase A: Pharmacological Chaperoning Efficacy on Fabry Disease Mutants.
Acs Chem.Biol., 9, 2014
3LOB
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BU of 3lob by Molmil
Crystal Structure of Flock House Virus calcium mutant
Descriptor: Coat protein beta, Coat protein gamma, RNA (5'-R(*UP*UP*U*AP*UP*CP*UP*(P))-3'), ...
Authors:Johnson, J.E, Banerjee, M, Speir, J.A, Huang, R.
Deposit date:2010-02-03
Release date:2010-04-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure and function of a genetically engineered mimic of a nonenveloped virus entry intermediate.
J.Virol., 84, 2010
8WZU
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BU of 8wzu by Molmil
4-hydroxybutyryl-CoA Synthetase (ADP-forming) from Nitrosopumilus maritimus.
Descriptor: 4-hydroxybutyrate--CoA ligase [ADP-forming], SULFATE ION
Authors:Johnson, J, Demirci, H.
Deposit date:2023-11-02
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of 4-hydroxybutyryl CoA synthetase (ADP-forming): A Key Enzyme in the Thaumarchaeal Hydroxypropionate/Hydroxybutyrate cycle.
To Be Published
6UVJ
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BU of 6uvj by Molmil
Cocrystal of BRD4(D1) with a methyl carbamate thiazepane inhibitor
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ...
Authors:Johnson, J.A, Pomerantz, W.C.K.
Deposit date:2019-11-02
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains.
Acs Med.Chem.Lett., 10, 2019
6UWX
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BU of 6uwx by Molmil
Cocrystal of BRD4(D1) with a ethyl carbamate thiazepane inhibitor
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ethyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate
Authors:Johnson, J.A, Pomerantz, W.C.K.
Deposit date:2019-11-05
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.307 Å)
Cite:Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains.
Acs Med.Chem.Lett., 10, 2019
6UVM
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BU of 6uvm by Molmil
Cocrystal of BRD4(D1) with a methyl carbamate thiazepane inhibitor
Descriptor: 1,2-ETHANEDIOL, 1-[(7S)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5H)-yl]ethan-1-one, Bromodomain-containing protein 4
Authors:Johnson, J.A, Pomerantz, W.C.K.
Deposit date:2019-11-03
Release date:2020-01-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains.
Acs Med.Chem.Lett., 10, 2019
3BMY
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BU of 3bmy by Molmil
Discovery of Benzisoxazoles as Potent Inhibitors of Chaperone Hsp90
Descriptor: 4-chloro-6-{5-[(2-morpholin-4-ylethyl)amino]-1,2-benzisoxazol-3-yl}benzene-1,3-diol, Heat shock protein HSP 90-alpha
Authors:Gopalsamy, A, Shi, M, Vogan, E.M, Golas, J, Jacob, J, Johnson, J, Lee, F, Nilakantan, R, Peterson, R, Svenson, K, Tam, M.S, Wen, Y, Chopra, R, Ellingboe, J, Arndt, K, Boschelli, F.
Deposit date:2007-12-13
Release date:2008-07-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of benzisoxazoles as potent inhibitors of chaperone heat shock protein 90.
J.Med.Chem., 51, 2008
7ANM
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BU of 7anm by Molmil
Nudaurelia capensis omega virus capsid: virus-like particles expressed in Nicotiana benthamiana
Descriptor: p70
Authors:Castells-Graells, R, Ribeiro, J.R.S, Domitrovic, T, Hesketh, E.L, Scarff, C.A, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P.
Deposit date:2020-10-12
Release date:2021-08-25
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Plant-expressed virus-like particles reveal the intricate maturation process of a eukaryotic virus.
Commun Biol, 4, 2021
7ATA
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BU of 7ata by Molmil
Nudaurelia capensis omega virus procapsid: virus-like particles expressed in Nicotiana benthamiana
Descriptor: p70
Authors:Castells-Graells, R, Ribeiro, J.R.S, Domitrovic, T, Hesketh, E.L, Scarff, C.A, Johnson, J.E, Ranson, N.A, Lawson, D.M, Lomonossoff, G.P.
Deposit date:2020-10-29
Release date:2021-08-25
Method:ELECTRON MICROSCOPY (6.63 Å)
Cite:Plant-expressed virus-like particles reveal the intricate maturation process of a eukaryotic virus.
Commun Biol, 4, 2021
7RWN
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BU of 7rwn by Molmil
Crystal Structure of BPTF bromodomain in complex with 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one
Descriptor: 1,2-ETHANEDIOL, 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF
Authors:Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-08-20
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7RWP
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BU of 7rwp by Molmil
Crystal Structure of BPTF bromodomain in complex with 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one
Descriptor: 5-[4-(aminomethyl)anilino]-4-chloro-2-methylpyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF
Authors:Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-08-20
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7RWQ
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BU of 7rwq by Molmil
Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one
Descriptor: 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-6-yl)amino]pyridazin-3(2H)-one, CALCIUM ION, Nucleosome-remodeling factor subunit BPTF
Authors:Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-08-20
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
7RWO
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BU of 7rwo by Molmil
Crystal Structure of BPTF bromodomain in complex with 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one
Descriptor: 1,2-ETHANEDIOL, 4-chloro-2-methyl-5-[(1,2,3,4-tetrahydroisoquinolin-7-yl)amino]pyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF
Authors:Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-08-20
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
1B35
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BU of 1b35 by Molmil
CRICKET PARALYSIS VIRUS (CRPV)
Descriptor: PROTEIN (CRICKET PARALYSIS VIRUS, VP1), VP2), ...
Authors:Tate, J.G, Liljas, L, Scotti, P.D, Christian, P.D, Lin, T.W, Johnson, J.E.
Deposit date:1998-12-17
Release date:1999-08-09
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of cricket paralysis virus: the first view of a new virus family.
Nat.Struct.Biol., 6, 1999
3DDX
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BU of 3ddx by Molmil
HK97 bacteriophage capsid Expansion Intermediate-II model
Descriptor: Major capsid protein
Authors:Lee, K.K, Gan, L, Conway, J.F, Hendrix, R.W, Steven, A.C, Johnson, J.E.
Deposit date:2008-06-06
Release date:2008-11-04
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY
Cite:Virus capsid expansion driven by the capture of mobile surface loops.
Structure, 16, 2008
3E8K
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BU of 3e8k by Molmil
Crystal structure of HK97 Prohead II
Descriptor: Major capsid protein
Authors:Gertsman, I, Speir, J, Johnson, J.E.
Deposit date:2008-08-20
Release date:2009-02-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:An unexpected twist in viral capsid maturation.
Nature, 458, 2009
4FRG
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BU of 4frg by Molmil
Crystal structure of the cobalamin riboswitch aptamer domain
Descriptor: Hydroxocobalamin, IRIDIUM (III) ION, MAGNESIUM ION, ...
Authors:Reyes, F.E, Johnson, J.E, Polaski, J.T, Batey, R.T.
Deposit date:2012-06-26
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:B12 cofactors directly stabilize an mRNA regulatory switch.
Nature, 492, 2012
4FSJ
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BU of 4fsj by Molmil
Crystal structure of the virus like particle of Flock House virus
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Speir, J.A, Chen, Z, Reddy, V.S, Johnson, J.E.
Deposit date:2012-06-27
Release date:2012-08-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural study of virus assembly intermediates reveals maturation event sequence and a staging position for externalized lytic peptides
to be published, 2012
4FTS
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BU of 4fts by Molmil
Crystal structure of the N363T mutant of the Flock House virus capsid
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Speir, J.A, Chen, Z, Reddy, V.S, Johnson, J.E.
Deposit date:2012-06-28
Release date:2012-08-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural study of virus assembly intermediates reveals maturation event sequence and a staging position for externalized lytic peptides
to be published, 2012
4FRN
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BU of 4frn by Molmil
Crystal structure of the cobalamin riboswitch regulatory element
Descriptor: BARIUM ION, Cobalamin riboswitch aptamer domain, Hydroxocobalamin
Authors:Reyes, F.E, Johnson, J.E, Polaski, J.T, Batey, R.T.
Deposit date:2012-06-26
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.43 Å)
Cite:B12 cofactors directly stabilize an mRNA regulatory switch.
Nature, 492, 2012

 

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