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3FU6
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BU of 3fu6 by Molmil
Leukotriene A4 hydrolase in complex with fragment (4-thiophen-2-ylphenyl)methanamine
Descriptor: 1-(4-thiophen-2-ylphenyl)methanamine, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUN
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BU of 3fun by Molmil
Leukotriene A4 hydrolase in complex with {4-[(2R)-pyrrolidin-2-ylmethoxy]phenyl}(4-thiophen-3-ylphenyl)methanone
Descriptor: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FTW
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BU of 3ftw by Molmil
Leukotriene A4 hydrolase in complex with fragments N-(pyridin-3-ylmethyl)aniline and acetate
Descriptor: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUD
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BU of 3fud by Molmil
Leukotriene A4 hydrolase in complex with N-methyl-1-(2-thiophen-2-ylphenyl)methanamine
Descriptor: ACETATE ION, IMIDAZOLE, Leukotriene A-4 hydrolase, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUE
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BU of 3fue by Molmil
Leukotriene A4 hydrolase in complex with fragment 5-chloroindole and bestatin
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-chloro-1H-indole, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-14
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3GW8
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BU of 3gw8 by Molmil
Crystal structure of phosphoglyceromutase from Burkholderia pseudomallei with vanadate and glycerol
Descriptor: 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, GLYCEROL, TETRAETHYLENE GLYCOL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-31
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
Acta Crystallogr.,Sect.F, 67, 2011
3GP5
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BU of 3gp5 by Molmil
Crystal structure of phosphoglyceromutase from Burkholderia pseudomallei with 3-phosphoglyceric acid and vanadate
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase, 3-PHOSPHOGLYCERIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-20
Release date:2009-03-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:An ensemble of structures of Burkholderia pseudomallei 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase.
Acta Crystallogr.,Sect.F, 67, 2011
3SJF
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BU of 3sjf by Molmil
X-ray structure of human glutamate carboxypeptidase II in complex with a urea-based inhibitor (A25)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Plechanovova, A, Byun, Y, Alquicer, G, Skultetyova, L, Mlcochova, P, Nemcova, A, Kim, H, Navratil, M, Mease, R, Lubkowski, J, Pomper, M, Konvalinka, J, Rulisek, L, Barinka, C.
Deposit date:2011-06-21
Release date:2011-10-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity.
J.Med.Chem., 54, 2011
3SJX
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BU of 3sjx by Molmil
X-ray structure of human glutamate carboxypeptidase II (the E424A inactive mutant) in complex with N-acetyl-aspartyl-methionine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Plechanovova, A, Byun, Y, Alquicer, G, Skultetyova, L, Mlcochova, P, Nemcova, A, Kim, H, Navratil, M, Mease, R, Lubkowski, J, Pomper, M, Konvalinka, J, Rulisek, L, Barinka, C.
Deposit date:2011-06-22
Release date:2011-10-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity.
J.Med.Chem., 54, 2011
3SJG
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BU of 3sjg by Molmil
Human glutamate carboxypeptidase II (E424A inactive mutant ) in complex with N-acetyl-aspartyl-aminooctanoic acid
Descriptor: (2S)-2-[(N-acetyl-L-alpha-aspartyl)amino]nonanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Plechanovova, A, Byun, Y, Alquicer, G, Skultetyova, L, Mlcochova, P, Nemcova, A, Kim, H, Navratil, M, Mease, R, Lubkowski, J, Pomper, M, Konvalinka, J, Rulisek, L, Barinka, C.
Deposit date:2011-06-21
Release date:2011-10-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity.
J.Med.Chem., 54, 2011
3SJE
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BU of 3sje by Molmil
X-ray structure of human glutamate carboxypeptidase II (the E424A inactive mutant) in complex with N-acetyl-aspartyl-aminononanoic acid
Descriptor: (2S)-2-[(N-acetyl-L-alpha-aspartyl)amino]nonanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Plechanovova, A, Byun, Y, Alquicer, G, Skultetyova, L, Mlcochova, P, Nemcova, A, Kim, H, Navratil, M, Mease, R, Lubkowski, J, Pomper, M, Konvalinka, J, Rulisek, L, Barinka, C.
Deposit date:2011-06-21
Release date:2011-10-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Novel Substrate-Based Inhibitors of Human Glutamate Carboxypeptidase II with Enhanced Lipophilicity.
J.Med.Chem., 54, 2011
3U5O
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BU of 3u5o by Molmil
Crystal structure of the complex of TRIM33 PHD-Bromo and H3(1-22)K9me3K14acK18ac histone peptide
Descriptor: E3 ubiquitin-protein ligase TRIM33, Histone H3.1, ZINC ION
Authors:Wang, Z, Patel, D.J.
Deposit date:2011-10-11
Release date:2012-01-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A poised chromatin platform for TGF-beta access to master regulators
Cell(Cambridge,Mass.), 147, 2011
3TKY
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BU of 3tky by Molmil
Monolignol o-methyltransferase (momt)
Descriptor: (Iso)eugenol O-methyltransferase, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Bhuiya, M.W, Liu, C.J.
Deposit date:2011-08-29
Release date:2012-08-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:An engineered monolignol 4-o-methyltransferase depresses lignin biosynthesis and confers novel metabolic capability in Arabidopsis.
Plant Cell, 24, 2012
3U5M
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BU of 3u5m by Molmil
Crystal structure of TRIM33 PHD-Bromo in the free state
Descriptor: CALCIUM ION, E3 ubiquitin-protein ligase TRIM33, ZINC ION
Authors:Wang, Z, Patel, D.J.
Deposit date:2011-10-11
Release date:2012-01-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.08 Å)
Cite:A poised chromatin platform for TGF-beta access to master regulators
Cell(Cambridge,Mass.), 147, 2011
3U5P
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BU of 3u5p by Molmil
Crystal structure of the complex of TRIM33 PHD-Bromo and H3(1-28)K9me3K14acK18acK23ac histone peptide
Descriptor: E3 ubiquitin-protein ligase TRIM33, Histone H3.1, ZINC ION
Authors:Wang, Z, Patel, D.J.
Deposit date:2011-10-11
Release date:2012-01-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A poised chromatin platform for TGF-beta access to master regulators
Cell(Cambridge,Mass.), 147, 2011
1JP0
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BU of 1jp0 by Molmil
NMR Structure of the LP5.1 Hairpin from Bacillus RNase P RNA Refined WITHOUT Residual Dipolar Couplings
Descriptor: 5'-R(*GP*GP*CP*GP*GP*UP*GP*CP*UP*GP*AP*GP*AP*UP*GP*CP*CP*CP*GP*UP*C)-3'
Authors:Leeper, T.C, Schmidt, F.J, Van Doren, S.R.
Deposit date:2001-07-31
Release date:2002-05-01
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the UGAGAU hexaloop that braces Bacillus RNase P for action.
Nat.Struct.Biol., 9, 2002
3U5N
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BU of 3u5n by Molmil
Crystal structure of the complex of TRIM33 PHD-Bromo and H3(1-20)K9me3K14ac histone peptide
Descriptor: E3 ubiquitin-protein ligase TRIM33, Histone H3.1, ZINC ION
Authors:Wang, Z, Patel, D.J.
Deposit date:2011-10-11
Release date:2012-01-18
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Poised Chromatin Platform for TGF-beta access to master regulators
Cell(Cambridge,Mass.), 147, 2011
1JOX
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BU of 1jox by Molmil
NMR Structure of the LP5.1 Hairpin from Bacillus RNase P RNA Refined with Residual Dipolar Couplings
Descriptor: 5'-R(*GP*GP*CP*GP*GP*UP*GP*CP*UP*GP*AP*GP*AP*UP*GP*CP*CP*CP*GP*UP*C)-3'
Authors:Leeper, T.C, Schmidt, F.J, Van Doren, S.R.
Deposit date:2001-07-31
Release date:2002-05-01
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the UGAGAU hexaloop that braces Bacillus RNase P for action.
Nat.Struct.Biol., 9, 2002
3WO5
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BU of 3wo5 by Molmil
Crystal structure of S147Q of Rv2613c from Mycobacterium tuberculosis
Descriptor: AP-4-A phosphorylase, GLYCEROL, PHOSPHATE ION, ...
Authors:Mori, S, Wachino, J, Arakawa, Y, Shibayama, K.
Deposit date:2013-12-20
Release date:2014-12-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Role of Ser-147 and Ala-149 in catalytic activity of diadenosine tetraphosphate phosphorylase from Mycobacterium tuberculosis H37Rv
To be Published
2KX2
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BU of 2kx2 by Molmil
The solution structure of MTH1821
Descriptor: Putative uncharacterized protein
Authors:Lee, W, Ko, S, Structural Genomics Consortium (SGC)
Deposit date:2010-04-23
Release date:2011-04-27
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of MTH1821, a putative structure homologue to RNA polymerase alpha subunit from Methanobacterium thermoautotrophicum.
Proteins, 79, 2011
2MUQ
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BU of 2muq by Molmil
Solution Structure of the Human FAAP20 UBZ
Descriptor: Fanconi anemia-associated protein of 20 kDa, ZINC ION
Authors:Wojtaszek, J.L, Wang, S, Zhou, P.
Deposit date:2014-09-16
Release date:2014-12-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ubiquitin recognition by FAAP20 expands the complex interface beyond the canonical UBZ domain.
Nucleic Acids Res., 42, 2014
2MUR
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BU of 2mur by Molmil
Solution Structure of the Human FAAP20 UBZ-Ubiquitin Complex
Descriptor: Fanconi anemia-associated protein of 20 kDa, Ubiquitin, ZINC ION
Authors:Wang, S, Wojtaszek, J.L, Zhou, P.
Deposit date:2014-09-16
Release date:2014-12-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ubiquitin recognition by FAAP20 expands the complex interface beyond the canonical UBZ domain.
Nucleic Acids Res., 42, 2014
3NNU
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BU of 3nnu by Molmil
Crystal structure of P38 alpha in complex with DP1376
Descriptor: 2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide, Mitogen-activated protein kinase 14
Authors:Abendroth, J.
Deposit date:2010-06-24
Release date:2010-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
3NNX
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BU of 3nnx by Molmil
Crystal structure of phosphorylated P38 alpha in complex with DP802
Descriptor: 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14
Authors:Abendroth, J.
Deposit date:2010-06-24
Release date:2010-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010
3NNW
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BU of 3nnw by Molmil
Crystal structure of P38 alpha in complex with DP802
Descriptor: 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide, Mitogen-activated protein kinase 14
Authors:Abendroth, J.
Deposit date:2010-06-24
Release date:2010-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region
Bioorg.Med.Chem.Lett., 20, 2010

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