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1PS8
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BU of 1ps8 by Molmil
Crystal Structure of the R270K Mutant of Aspartate Semialdehyde dehydrogenase from Haemophilus influenzae
Descriptor: Aspartate semialdehyde dehydrogenase
Authors:Blanco, J, Moore, R.A, Faehnle, C.R, Coe, D.M, Viola, R.E.
Deposit date:2003-06-20
Release date:2004-07-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The role of substrate-binding groups in the mechanism of aspartate-beta-semialdehyde dehydrogenase.
Acta Crystallogr.,Sect.D, 60, 2004
1PU2
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BU of 1pu2 by Molmil
Crystal Structure of the K246R Mutant of Aspartate Semialdehyde Dehydrogenase from Haemophilus influenzae
Descriptor: Aspartate-semialdehyde dehydrogenase
Authors:Blanco, J, Moore, R.A, Faehnle, C.R, Coe, D.M, Viola, R.E.
Deposit date:2003-06-23
Release date:2004-07-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The role of substrate-binding groups in the mechanism of aspartate-beta-semialdehyde dehydrogenase.
Acta Crystallogr.,Sect.D, 60, 2004
1Q2X
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BU of 1q2x by Molmil
Crystal Structure of the E243D Mutant of Aspartate Semialdehyde Dehydrogenase from Haemophilus influenzae bound with substrate aspartate semialdehyde
Descriptor: Aspartate-semialdehyde dehydrogenase
Authors:Blanco, J, Moore, R.A, Faehnle, C.R, Coe, D.M, Viola, R.E.
Deposit date:2003-07-26
Release date:2004-07-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The role of substrate-binding groups in the mechanism of aspartate-beta-semialdehyde dehydrogenase.
Acta Crystallogr.,Sect.D, 60, 2004
1PR3
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BU of 1pr3 by Molmil
Crystal Structure of the R103K Mutant of Aspartate Semialdehyde dehydrogenase from Haemophilus influenzae
Descriptor: Aspartate semialdehyde dehydrogenase, PHOSPHATE ION
Authors:Blanco, J, Moore, R.A, Faehnle, C.R, Coe, D.M, Viola, R.E.
Deposit date:2003-06-19
Release date:2004-07-27
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The role of substrate-binding groups in the mechanism of aspartate-beta-semialdehyde dehydrogenase.
Acta Crystallogr.,Sect.D, 60, 2004
5IWD
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BU of 5iwd by Molmil
HCMV DNA polymerase subunit UL44 complex with a small molecule
Descriptor: 5-methylidene-3-(methylsulfanyl)-2-benzothiophen-4(5H)-one, DNA polymerase processivity factor
Authors:Chen, H, Coen, D.M, Hogle, J.M, Filman, D.J.
Deposit date:2016-03-22
Release date:2016-11-30
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:A Small Covalent Allosteric Inhibitor of Human Cytomegalovirus DNA Polymerase Subunit Interactions.
ACS Infect Dis, 3, 2017
5IXA
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BU of 5ixa by Molmil
HCMV DNA polymerase processivity subunit UL44 at neutral pH and low salt
Descriptor: DNA polymerase processivity factor
Authors:Chen, H, Coen, D.M, Hogle, J.M, Filman, D.J.
Deposit date:2016-03-23
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.684 Å)
Cite:A Small Covalent Allosteric Inhibitor of Human Cytomegalovirus DNA Polymerase Subunit Interactions.
ACS Infect Dis, 3, 2017
1YYP
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BU of 1yyp by Molmil
Crystal structure of cytomegalovirus UL44 bound to C-terminal peptide from CMV UL54
Descriptor: 1,2-ETHANEDIOL, DNA polymerase, DNA polymerase processivity factor, ...
Authors:Appleton, B.A, Brooks, J, Loregian, A, Filman, D.J, Coen, D.M, Hogle, J.M.
Deposit date:2005-02-25
Release date:2005-12-27
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the cytomegalovirus DNA polymerase subunit UL44 in complex with the C terminus from the catalytic subunit. Differences in structure and function relative to unliganded UL44.
J.Biol.Chem., 281, 2006
5A3G
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BU of 5a3g by Molmil
Structure of herpesvirus nuclear egress complex subunit M50
Descriptor: M50
Authors:Leigh, K.E, Boeszoermenyi, A, Mansueto, M.S, Sharma, M, Filman, D.J, Coen, D.M, Wagner, G, Hogle, J.M, Arthanari, H.
Deposit date:2015-06-01
Release date:2015-07-15
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structure of a Herpesvirus Nuclear Egress Complex Subunit Reveals an Interaction Groove that is Essential for Viral Replication
Proc.Natl.Acad.Sci.USA, 112, 2015
1DML
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BU of 1dml by Molmil
CRYSTAL STRUCTURE OF HERPES SIMPLEX UL42 BOUND TO THE C-TERMINUS OF HSV POL
Descriptor: DNA POLYMERASE, DNA POLYMERASE PROCESSIVITY FACTOR
Authors:Zuccola, H.J, Filman, D.J, Coen, D.M, Hogle, J.M.
Deposit date:1999-12-14
Release date:2000-03-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of an unusual processivity factor, herpes simplex virus UL42, bound to the C terminus of its cognate polymerase.
Mol.Cell, 5, 2000
3I2M
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BU of 3i2m by Molmil
The Crystal Structure of PF-8, the DNA Polymerase Accessory Subunit from Kaposi s Sarcoma-Associated Herpesvirus
Descriptor: ORF59
Authors:Baltz, J.L, Filman, D.J, Ciustea, M, Silverman, J.E.Y, Lautenschlager, C.L, Coen, D.M, Ricciardi, R.P, Hogle, J.M.
Deposit date:2009-06-29
Release date:2010-05-12
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:The crystal structure of PF-8, the DNA polymerase accessory subunit from Kaposi's sarcoma-associated herpesvirus.
J.Virol., 83, 2009
3HSL
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BU of 3hsl by Molmil
The Crystal Structure of PF-8, the DNA Polymerase Accessory Subunit from Kaposi's Sarcoma-Associated Herpesvirus
Descriptor: ORF59
Authors:Baltz, J.L, Filman, D.J, Ciustea, M, Silverman, J.E.Y, Lautenschlager, C.L, Coen, D.M, Ricciardi, R.P, Hogle, J.M.
Deposit date:2009-06-10
Release date:2009-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The crystal structure of PF-8, the DNA polymerase accessory subunit from Kaposi's sarcoma-associated herpesvirus.
J.Virol., 83, 2009
1T6L
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BU of 1t6l by Molmil
Crystal Structure of the Human Cytomegalovirus DNA Polymerase Subunit, UL44
Descriptor: DNA polymerase processivity factor
Authors:Appleton, B.A, Loregian, A, Filman, D.J, Coen, D.M, Hogle, J.M.
Deposit date:2004-05-06
Release date:2004-08-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Cytomegalovirus DNA Polymerase Subunit UL44 Forms a C Clamp-Shaped Dimer.
Mol.Cell, 15, 2004
7Q6H
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BU of 7q6h by Molmil
HUMAN JAK3 KINASE DOMAIN WITH 1-(4-((2-((1-methyl-1H-pyrazol-4-yl)amino)quinazolin-8-yl)amino)piperidin-1-yl)ethan-1-one
Descriptor: 1-[4-[[2-[(1-methylpyrazol-4-yl)amino]quinazolin-8-yl]amino]piperidin-1-yl]ethanone, 1-phenylurea, SULFATE ION, ...
Authors:Chung, C.
Deposit date:2021-11-07
Release date:2022-02-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.749 Å)
Cite:Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism.
J.Med.Chem., 65, 2022
7Q7K
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BU of 7q7k by Molmil
JAK2 in complex with 4-(2-amino-8-methoxyquinazolin-6-yl)phenol
Descriptor: 4-(2-azanyl-8-methoxy-quinazolin-6-yl)phenol, Tyrosine-protein kinase JAK2
Authors:Rowland, P.
Deposit date:2021-11-09
Release date:2022-02-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism.
J.Med.Chem., 65, 2022
7Q7L
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BU of 7q7l by Molmil
JAK2 in complex with 4-(2-amino-8-{[(2S)-1-hydroxypropan-2-yl]amino}quinazolin-6-yl)-5-ethyl-2-fluorophenol
Descriptor: 4-[2-azanyl-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol, GLYCEROL, Tyrosine-protein kinase JAK2
Authors:Rowland, P.
Deposit date:2021-11-09
Release date:2022-02-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism.
J.Med.Chem., 65, 2022
7Q7I
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BU of 7q7i by Molmil
JAK2 in complex with 4-{8-methoxy-2-[(1-methyl-1H-pyrazol-4-yl)amino]quinazolin-6-yl}phenol
Descriptor: 4-[8-methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol, Tyrosine-protein kinase JAK2
Authors:Rowland, P.
Deposit date:2021-11-09
Release date:2022-02-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism.
J.Med.Chem., 65, 2022
7Q7W
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BU of 7q7w by Molmil
JAK2 in complex with 4-(2-{[5-(dimethylamino)pentyl]amino}-8-{[(2S)-1-hydroxypropan-2-yl]amino}quinazolin-6-yl)-5-ethyl-2-fluorophenol
Descriptor: 4-[2-[5-(dimethylamino)pentylamino]-8-[[(2~{S})-1-oxidanylpropan-2-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluoranyl-phenol, Tyrosine-protein kinase JAK2
Authors:Rowland, P.
Deposit date:2021-11-09
Release date:2022-02-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Investigation of Janus Kinase (JAK) Inhibitors for Lung Delivery and the Importance of Aldehyde Oxidase Metabolism.
J.Med.Chem., 65, 2022
3K22
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BU of 3k22 by Molmil
Glucocorticoid Receptor with Bound alaninamide 10 with TIF2 peptide
Descriptor: Glucocorticoid receptor, N-[(1R)-2-amino-1-methyl-2-oxoethyl]-3-(6-methyl-4-{[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino}-1H-indazol-1-yl)benzamide, Transcriptional Intermediary Factor 2, ...
Authors:Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K.
Deposit date:2009-09-29
Release date:2010-08-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor.
Proc.Natl.Acad.Sci.USA, 106, 2009
3K23
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BU of 3k23 by Molmil
Glucocorticoid Receptor with Bound D-prolinamide 11
Descriptor: 1-{[3-(4-{[(2R)-4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)phenyl]carbonyl}-D-prolinamide, Glucocorticoid receptor, Nuclear receptor coactivator 2
Authors:Biggadike, K.B, McLay, I.M, Madauss, K.P, Williams, S.P, Bledsoe, R.K.
Deposit date:2009-09-29
Release date:2009-10-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design and x-ray crystal structures of high-potency nonsteroidal glucocorticoid agonists exploiting a novel binding site on the receptor.
Proc.Natl.Acad.Sci.USA, 106, 2009
3O56
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BU of 3o56 by Molmil
Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor
Descriptor: 1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine, ARSENIC, GLYCEROL, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2010-07-28
Release date:2011-08-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR.
Bioorg.Med.Chem.Lett., 20, 2010
3O57
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BU of 3o57 by Molmil
Catalytic domain of human phosphodiesterase 4b2b in complex with a 5-heterocycle pyrazolopyridine inhibitor
Descriptor: 5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine, ARSENIC, GLYCEROL, ...
Authors:Somers, D.O, Neu, M.
Deposit date:2010-07-28
Release date:2011-08-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Pyrazolopyridines as potent PDE4B inhibitors: 5-heterocycle SAR.
Bioorg.Med.Chem.Lett., 20, 2010
1OZA
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BU of 1oza by Molmil
Crystal Structure of the R103L Mutant of Aspartate Semialdehyde Dehydrogenase from Haemophilus influenzae
Descriptor: Aspartate-semialdehyde dehydrogenase
Authors:Blanco, J, Moore, R.A, Viola, R.E.
Deposit date:2003-04-08
Release date:2004-06-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The role of substrate-binding groups in the mechanism of aspartate-beta-semialdehyde dehydrogenase.
Acta Crystallogr.,Sect.D, 60, 2004
1PQU
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BU of 1pqu by Molmil
Crystal Structure of the H277N Mutant of Aspartate Semialdehyde Dehydrogenase from Haemophilus influenzae Bound with NADP, S-methyl cysteine sulfoxide and cacodylate
Descriptor: Aspartate-semialdehyde dehydrogenase, CACODYLATE ION, CYSTEINE, ...
Authors:Blanco, J, Moore, R.A, Viola, R.E.
Deposit date:2003-06-19
Release date:2004-08-10
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The role of substrate-binding groups in the mechanism of aspartate-beta-semialdehyde dehydrogenase.
Acta Crystallogr.,Sect.D, 60, 2004
1PQP
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BU of 1pqp by Molmil
Crystal Structure of the C136S Mutant of Aspartate Semialdehyde Dehydrogenase from Haemophilus influenzae Bound with Aspartate Semialdehyde and Phosphate
Descriptor: Aspartate-semialdehyde dehydrogenase, L-HOMOSERINE, PHOSPHATE ION
Authors:Blanco, J, Moore, R.A, Faehnle, C.R, Viola, R.E.
Deposit date:2003-06-18
Release date:2004-08-10
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:The role of substrate-binding groups in the mechanism of aspartate-beta-semialdehyde dehydrogenase.
Acta Crystallogr.,Sect.D, 60, 2004
5DOE
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BU of 5doe by Molmil
Crystal structure of the Human Cytomegalovirus UL53 (residues 72-292)
Descriptor: Virion egress protein UL31 homolog, ZINC ION
Authors:Lye, M.F, El Omari, K, Filman, D.J, Hogle, J.M.
Deposit date:2015-09-11
Release date:2015-11-25
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Unexpected features and mechanism of heterodimer formation of a herpesvirus nuclear egress complex.
Embo J., 34, 2015

 

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