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PDB: 91 results

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
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
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
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
2FTE
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BU of 2fte by Molmil
Bacteriophage HK97 Expansion Intermediate IV
Descriptor: major capsid protein
Authors:Gan, L, Speir, J.A, Conway, J.F, Lander, G, Cheng, N, Firek, B.A, Hendrix, R.W, Duda, R.L, Liljas, L, Johnson, J.E.
Deposit date:2006-01-24
Release date:2006-02-07
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY
Cite:Capsid Conformational Sampling in HK97 Maturation Visualized by X-Ray Crystallography and Cryo-EM.
Structure, 14, 2006
7RSK
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BU of 7rsk by Molmil
The crystal structure from microfluidic crystals of glycosyl hydrolase family 2 (GH2) member from Bacteroides cellulosilyticus
Descriptor: Glycosyl hydrolase family 2, sugar binding domain protein
Authors:Kim, Y, Nocek, B, Endres, M, Joachimiak, G, Johnson, J, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2021-08-11
Release date:2021-08-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure from microfluidic crystals of glycosyl hydrolase family 2 (GH2) member from Bacteroides cellulosilyticus
To Be Published
2FSY
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BU of 2fsy by Molmil
Bacteriophage HK97 Pepsin-treated Expansion Intermediate IV
Descriptor: major capsid protein
Authors:Gan, L, Speir, J.A, Conway, J.F, Lander, G, Cheng, N, Firek, B.A, Hendrix, R.W, Duda, R.L, Liljas, L, Johnson, J.E.
Deposit date:2006-01-23
Release date:2006-02-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Capsid Conformational Sampling in HK97 Maturation Visualized by X-Ray Crystallography and Cryo-EM.
Structure, 14, 2006
2FRP
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BU of 2frp by Molmil
Bacteriophage HK97 Expansion Intermediate IV
Descriptor: Major capsid protein
Authors:Gan, L, Speir, J.A, Conway, J.F, Lander, G, Cheng, N, Firek, B.A, Hendrix, R.W, Duda, R.L, Liljas, L, Johnson, J.E.
Deposit date:2006-01-19
Release date:2006-02-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (7.5 Å)
Cite:Capsid Conformational Sampling in HK97 Maturation Visualized by X-Ray Crystallography and Cryo-EM.
Structure, 14, 2006
2FT1
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BU of 2ft1 by Molmil
Bacteriophage HK97 Head II
Descriptor: major capsid protein
Authors:Gan, L, Speir, J.A, Conway, J.F, Lander, G, Cheng, N, Firek, B.A, Hendrix, R.W, Duda, R.L, Liljas, L, Johnson, J.E.
Deposit date:2006-01-23
Release date:2006-02-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Capsid Conformational Sampling in HK97 Maturation Visualized by X-Ray Crystallography and Cryo-EM.
Structure, 14, 2006
2FS3
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BU of 2fs3 by Molmil
Bacteriophage HK97 K169Y Head I
Descriptor: Major capsid protein
Authors:Gan, L, Speir, J.A, Conway, J.F, Lander, G, Cheng, N, Firek, B.A, Hendrix, R.W, Duda, R.L, Liljas, L, Johnson, J.E.
Deposit date:2006-01-20
Release date:2006-02-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Capsid Conformational Sampling in HK97 Maturation Visualized by X-Ray Crystallography and Cryo-EM.
Structure, 14, 2006
2XNX
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BU of 2xnx by Molmil
BC1 fragment of streptococcal M1 protein in complex with human fibrinogen
Descriptor: FIBRINOGEN ALPHA CHAIN, FIBRINOGEN BETA CHAIN, FIBRINOGEN GAMMA CHAIN, ...
Authors:Macheboeuf, P, Y Fu, C, Zinkernagel, A.S, Johnson, J.E, Nizet, V, Ghosh, P.
Deposit date:2010-08-06
Release date:2011-04-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Streptococcal M1 Protein Constructs a Pathological Host Fibrinogen Network
Nature, 472, 2011
7MLQ
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BU of 7mlq by Molmil
X-ray crystal structure of human BRD4(D1) in complex with 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine (compound 26)
Descriptor: 1,2-ETHANEDIOL, 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine, Bromodomain-containing protein 4, ...
Authors:Cui, H, Johnson, J.A, Vail, N.R, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-04-28
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
7MLS
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BU of 7mls by Molmil
X-ray crystal structure of human BRD4(D1) in complex with 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine (compound 23)
Descriptor: 1,2-ETHANEDIOL, 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine, Bromodomain-containing protein 4, ...
Authors:Cui, H, Johnson, J.A, Zahid, H, Buchholz, C.R, Shi, K, Aihara, H, Pomerantz, W.C.K.
Deposit date:2021-04-28
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:4-Methyl-1,2,3-Triazoles as N -Acetyl-Lysine Mimics Afford Potent BET Bromodomain Inhibitors with Improved Selectivity.
J.Med.Chem., 64, 2021
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
5G2N
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BU of 5g2n by Molmil
X-ray structure of PI3Kinase Gamma in complex with Copanlisib
Descriptor: 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION
Authors:Schaefer, M, Scott, W.J, Hentemann, M.F, Rowley, R.B, Bull, C.O, Jenkins, S, Bullion, A.M, Johnson, J, Redman, A, Robbins, A.H, Esler, W, Fracasso, R.P, Garrison, T, Hamilton, M, Michels, M, Wood, J.E, Wilkie, D.P, Xiao, H, Levy, J, Liu, N, Stasik, E, Brands, M, Lefranc, J.
Deposit date:2016-04-11
Release date:2016-04-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Discovery and Sar of Novel 2,3-Dihydroimidazo(1,2-C)Quinazoline Pi3K Inhibitors: Identification of Copanlisib (Bay 80-6946)
Chemmedchem, 11, 2016
1CWP
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BU of 1cwp by Molmil
STRUCTURES OF THE NATIVE AND SWOLLEN FORMS OF COWPEA CHLOROTIC MOTTLE VIRUS DETERMINED BY X-RAY CRYSTALLOGRAPHY AND CRYO-ELECTRON MICROSCOPY
Descriptor: Coat protein, RNA (5'-R(*AP*U)-3'), RNA (5'-R(*AP*UP*AP*U)-3')
Authors:Speir, J.A, Johnson, J.E, Munshi, S, Wang, G, Timothy, S, Baker, T.S.
Deposit date:1995-05-22
Release date:1995-05-22
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of the native and swollen forms of cowpea chlorotic mottle virus determined by X-ray crystallography and cryo-electron microscopy.
Structure, 3, 1995
4NKM
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BU of 4nkm by Molmil
Crystal structure of engineered anti-EE scFv antibody fragment
Descriptor: Engineered scFv
Authors:Kalyoncu, S, Hyun, J, Pai, J.C, Johnson, J.L, Etzminger, K, Jain, A, Heaner Jr, D, Molares, I.A, Truskett, T.M, Maynard, J.A, Lieberman, R.L.
Deposit date:2013-11-12
Release date:2014-03-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.71 Å)
Cite:Effects of protein engineering and rational mutagenesis on crystal lattice of single chain antibody fragments.
Proteins, 82, 2014

 

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