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4IAC
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BU of 4iac by Molmil
X-RAY structure of cAMP dependent protein kinase A in complex with HIGH MG2+ concentration, AMP-PCP AND pseudo-substrate peptide SP20
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Peptide SP20, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
2JKO
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BU of 2jko by Molmil
Focal Adhesion Kinase catalytic domain in complex with bis-anilino pyrimidine inhibitor
Descriptor: 7-{[(2Z,5S)-5-CHLORO-2-{[2-METHOXY-4-(4-METHYLPIPERAZIN-1-YL)PHENYL]IMINO}-2,5-DIHYDROPYRIMIDIN-4-YL]AMINO}-2-METHYL-2,3-DIHYDRO-1H-ISOINDOL-1-ONE, FOCAL ADHESION KINASE 1
Authors:Lietha, D, Eck, M.J.
Deposit date:2008-08-28
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structures of the Fak Kinase in Complex with Tae226 and Related Bis-Anilino Pyrimidine Inhibitors Reveal a Helical Dfg Conformation.
Plos One, 3, 2008
4IAI
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BU of 4iai by Molmil
X-ray Structure of cAMP dependent protein kinase A in complex with high Ca2+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, CARBONATE ION, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Insights into the Phosphoryl Transfer Catalyzed by cAMP-Dependent Protein Kinase: An X-ray Crystallographic Study of Complexes with Various Metals and Peptide Substrate SP20.
Biochemistry, 52, 2013
4IB3
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BU of 4ib3 by Molmil
Structure of cAMP dependent protein kinase A in complex with ADP, phosphorylated peptide pSP20, and no metal
Descriptor: ADENOSINE-5'-DIPHOSPHATE, cAMP-dependent protein kinase catalytic subunit alpha, phosphorylated pseudo-substrate peptide pSP20
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-12-11
Last modified:2014-05-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
2JQH
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BU of 2jqh by Molmil
VPS4B MIT
Descriptor: Vacuolar protein sorting-associating protein 4B
Authors:Stuchell-Brereton, M.D, Skalicky, J.J, Kieffer, C, Ghaffarian, S, Sundquist, W.I.
Deposit date:2007-06-01
Release date:2007-10-16
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:ESCRT-III recognition by VPS4 ATPases.
Nature, 449, 2007
2JQ3
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BU of 2jq3 by Molmil
Structure and Dynamics of Human Apolipoprotein C-III
Descriptor: Apolipoprotein C-III
Authors:Gangabadage, C.S, Zdunek, J, Tessari, M, Nilsson, S, Olivecrona, G, Wijmenga, S.
Deposit date:2007-05-28
Release date:2008-04-29
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Structure and Dynamics of Human Apolipoprotein CIII
J.Biol.Chem., 283, 2008
2JON
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BU of 2jon by Molmil
Solution structure of the C-terminal domain Ole e 9
Descriptor: Beta-1,3-glucanase
Authors:Trevino, M.A, Palomares, O, Castrillo, I, Villalba, M, Rodriguez, R, Rico, M, Santoro, J, Bruix, M.
Deposit date:2007-03-14
Release date:2008-01-29
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal domain of Ole e 9, a major allergen of olive pollen
Protein Sci., 17, 2008
2JLT
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BU of 2jlt by Molmil
Crystal structure of an RNA kissing complex
Descriptor: R06, TAR
Authors:DiPrimo, C, Fribourg, S.
Deposit date:2008-09-15
Release date:2009-08-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Exploring Tar-RNA Aptamer Loop-Loop Interaction by X-Ray Crystallography, Uv Spectroscopy and Surface Plasmon Resonance.
Nucleic Acids Res., 36, 2008
2KFZ
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BU of 2kfz by Molmil
KLENOW FRAGMENT WITH BRIDGING-SULFUR SUBSTRATE AND ZINC ONLY
Descriptor: 5'-D(*GP*CP*TP*TP*AP*(US1)P*G)-3', KLENOW FRAGMENT OF DNA POLYMERASE I, MAGNESIUM ION, ...
Authors:Brautigam, C.A, Sun, S, Piccirilli, J.A, Steitz, T.A.
Deposit date:1998-07-02
Release date:1998-11-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structures of normal single-stranded DNA and deoxyribo-3'-S-phosphorothiolates bound to the 3'-5' exonucleolytic active site of DNA polymerase I from Escherichia coli.
Biochemistry, 38, 1999
2K7Y
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BU of 2k7y by Molmil
Solution fold of HIV-1 Virus protein U cytoplasmic domain in the presence of DPC micelles
Descriptor: Protein Vpu
Authors:Wittlich, M, Koenig, B.W, Willbold, D.
Deposit date:2008-08-28
Release date:2009-11-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR structural characterization of HIV-1 virus protein U cytoplasmic domain in the presence of dodecylphosphatidylcholine micelles
Febs J., 276, 2009
2K9E
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BU of 2k9e by Molmil
NMR Solution Structure for ShK-192: A Potent KV1.3-Specific Immunosuppressive Polypeptide
Descriptor: Kappa-stichotoxin-She3a
Authors:Galea, C.A.
Deposit date:2008-10-09
Release date:2009-01-20
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Engineering a stable and selective peptide blocker of the Kv1.3 channel in T lymphocytes
Mol.Pharmacol., 75, 2009
2K6D
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BU of 2k6d by Molmil
CIN85 Sh3-C domain in complex with ubiquitin
Descriptor: SH3 domain-containing kinase-binding protein 1, Ubiquitin
Authors:Forman-Kay, J, Bezsonova, I.
Deposit date:2008-07-07
Release date:2008-08-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Interactions between the three CIN85 SH3 domains and ubiquitin: implications for CIN85 ubiquitination.
Biochemistry, 47, 2008
2K9G
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BU of 2k9g by Molmil
Solution structure of the third SH3 domain of the Cin85 adapter protein
Descriptor: SH3 domain-containing kinase-binding protein 1
Authors:Philippe, D.L, Ladbury, J.E, Pfuhl, M.
Deposit date:2008-10-10
Release date:2009-10-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Solution structure of the Sh3-C domain of Cin85
To be Published
2KA9
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BU of 2ka9 by Molmil
Solution structure of PSD-95 PDZ12 complexed with cypin peptide
Descriptor: Disks large homolog 4, cypin peptide
Authors:Wang, W.N, Weng, J.W, Zhang, X, Liu, M.L, Zhang, M.J.
Deposit date:2008-11-03
Release date:2009-06-23
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Creating conformational entropy by increasing interdomain mobility in ligand binding regulation: a revisit to N-terminal tandem PDZ domains of PSD-95
J.Am.Chem.Soc., 131, 2009
2KFN
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BU of 2kfn by Molmil
KLENOW FRAGMENT WITH BRIDGING-SULFUR SUBSTRATE AND MANGANESE
Descriptor: 5'-D(*GP*CP*TP*TP*AP*(US1)P*G)-3', KLENOW FRAGMENT OF DNA POLYMERASE I, MAGNESIUM ION, ...
Authors:Brautigam, C.A, Sun, S, Piccirilli, J.A, Steitz, T.A.
Deposit date:1998-07-01
Release date:1998-11-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Structures of normal single-stranded DNA and deoxyribo-3'-S-phosphorothiolates bound to the 3'-5' exonucleolytic active site of DNA polymerase I from Escherichia coli.
Biochemistry, 38, 1999
4INW
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BU of 4inw by Molmil
Structure of Pheromone-binding protein 1 in complex with (11Z,13Z)-hexadecadienal
Descriptor: (11Z,13Z)-hexadeca-11,13-dienal, Pheromone-binding protein 1
Authors:di Luccio, E, Wilson, D.K.
Deposit date:2013-01-07
Release date:2013-03-06
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Crystallographic Observation of pH-Induced Conformational Changes in the Amyelois transitella Pheromone-Binding Protein AtraPBP1.
Plos One, 8, 2013
4ID2
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BU of 4id2 by Molmil
Crystal structure of a DUF4738 family protein (BACOVA_05496) from Bacteroides ovatus ATCC 8483 at 2.15 A resolution
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-12-11
Release date:2013-02-13
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystal structure of a hypothetical protein (BACOVA_05496) from Bacteroides ovatus ATCC 8483 at 2.15 A resolution
To be published
4IE9
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BU of 4ie9 by Molmil
Bovine PKA C-alpha in complex with 3-pyridylmethyl-5-methyl-1H-pyrazole-3-carboxylate
Descriptor: GLYCEROL, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha, ...
Authors:Dreyer, M.K, Schiffer, A, Lodge, J.
Deposit date:2012-12-13
Release date:2013-05-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring
J.Am.Chem.Soc., 135, 2013
4ICI
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BU of 4ici by Molmil
Crystal structure of a putative flavoprotein (BACEGG_01620) from Bacteroides eggerthii DSM 20697 at 1.40 A resolution
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2012-12-10
Release date:2013-01-02
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of a putative flavoprotein (BACEGG_01620) from Bacteroides eggerthii DSM 20697 at 1.40 A resolution
To be published
4IFD
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BU of 4ifd by Molmil
Crystal structure of an 11-subunit eukaryotic exosome complex bound to RNA
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BROMIDE ION, Exosome complex component CSL4, ...
Authors:Makino, D.L, Conti, E.
Deposit date:2012-12-14
Release date:2013-02-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.805 Å)
Cite:Crystal structure of an RNA-bound 11-subunit eukaryotic exosome complex.
Nature, 495, 2013
4IIK
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BU of 4iik by Molmil
Legionella pneumophila effector
Descriptor: Adenosine monophosphate-protein hydrolase SidD, CHLORIDE ION, GLYCEROL, ...
Authors:Tascon, I, Chen, Y, Neunuebel, M.R, Rojas, A.L, Machner, M.P, Hierro, A.
Deposit date:2012-12-20
Release date:2013-06-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Rab1 De-AMPylation by the Legionella pneumophila Effector SidD
Plos Pathog., 9, 2013
4IIP
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BU of 4iip by Molmil
Legionella pneumophila effector
Descriptor: Adenosine monophosphate-protein hydrolase SidD, CHLORIDE ION, GLYCEROL
Authors:Tascon, I, Chen, Y, Neunuebel, M.R, Rojas, A.L, Machner, M.P, Hierro, A.
Deposit date:2012-12-20
Release date:2013-06-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Rab1 De-AMPylation by the Legionella pneumophila Effector SidD
Plos Pathog., 9, 2013
4IJ9
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BU of 4ij9 by Molmil
Bovine PKA C-alpha in complex with 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone
Descriptor: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Dreyer, M.K, Schiffer, A.
Deposit date:2012-12-21
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Accounting for Conformational Variability in Protein-Ligand Docking with NMR-Guided Rescoring
J.Am.Chem.Soc., 135, 2013
4IPB
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BU of 4ipb by Molmil
Crystal structure of a DUF2874 family protein (BACOVA_02504) from Bacteroides ovatus ATCC 8483 at 1.62 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-01-09
Release date:2013-02-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal structure of a hypothetical protein (BACOVA_02504) from Bacteroides ovatus ATCC 8483 at 1.62 A resolution
To be published
4J1Y
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BU of 4j1y by Molmil
The X-ray crystal structure of human complement protease C1s zymogen
Descriptor: Complement C1s subcomponent
Authors:Perry, A.J, Wijeyewickrema, L.C, Wilmann, P.G, Gunzburg, M.J, D'Andrea, L, Irving, J.A, Pang, S.S, Duncan, R.C, Wilce, J.A, Whisstock, J.C, Pike, R.N.
Deposit date:2013-02-03
Release date:2013-04-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6645 Å)
Cite:A Molecular Switch Governs the Interaction between the Human Complement Protease C1s and Its Substrate, Complement C4.
J.Biol.Chem., 288, 2013

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