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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
4IB1
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BU of 4ib1 by Molmil
Structure of cAMP dependent protein kinase A in complex with high K+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, POTASSIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-12-11
Last modified:2014-05-28
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
4IAZ
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BU of 4iaz by Molmil
Structure of cAMP dependent protein kinase A in complex with high Ba2+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BARIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-06-12
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (1.85 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
3LQ5
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BU of 3lq5 by Molmil
Structure of CDK9/CyclinT in complex with S-CR8
Descriptor: (2S)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cell division protein kinase 9, Cyclin-T1
Authors:Hole, A.J, Endicott, J.A, Baumli, S.
Deposit date:2010-02-08
Release date:2011-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:CDK Inhibitors Roscovitine and CR8 Trigger Mcl-1 Down-Regulation and Apoptotic Cell Death in Neuroblastoma Cells
Genes Cancer, 1, 2010
3IIM
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BU of 3iim by Molmil
The structure of hCINAP-dADP complex at 2.0 angstroms resolution
Descriptor: (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Zographos, S.E, Drakou, C.E, Leonidas, D.D.
Deposit date:2009-08-02
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:hCINAP is an atypical mammalian nuclear adenylate kinase with an ATPase motif: Structural and functional studies.
Proteins, 80, 2012
3IIJ
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BU of 3iij by Molmil
The structure of hCINAP-ADP complex at 1.76 angstroms resolution.
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Coilin-interacting nuclear ATPase protein, SULFATE ION
Authors:Zographos, S.E, Drakou, C.E, Leonidas, D.D.
Deposit date:2009-08-02
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:hCINAP is an atypical mammalian nuclear adenylate kinase with an ATPase motif: Structural and functional studies.
Proteins, 80, 2012
3IIK
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BU of 3iik by Molmil
The structure of hCINAP-SO4 complex at 1.95 angstroms resolution
Descriptor: Coilin-interacting nuclear ATPase protein, SULFATE ION
Authors:Zographos, S.E, Drakou, C.E, Leonidas, D.D.
Deposit date:2009-08-02
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:hCINAP is an atypical mammalian nuclear adenylate kinase with an ATPase motif: Structural and functional studies.
Proteins, 80, 2012
2H9H
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BU of 2h9h by Molmil
An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors
Descriptor: Hepatitis A virus protease 3C, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Three residue peptide
Authors:Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N.
Deposit date:2006-06-09
Release date:2006-08-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:An Episulfide Cation (Thiiranium Ring) Trapped in the Active Site of HAV 3C Proteinase Inactivated by Peptide-based Ketone Inhibitors.
J.Mol.Biol., 361, 2006
3IIL
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BU of 3iil by Molmil
The structure of hCINAP-MgADP-Pi complex at 2.0 angstroms resolution
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Coilin-interacting nuclear ATPase protein, LITHIUM ION, ...
Authors:Zographos, S.E, Drakou, C.E, Leonidas, D.D.
Deposit date:2009-08-02
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:hCINAP is an atypical mammalian nuclear adenylate kinase with an ATPase motif: Structural and functional studies.
Proteins, 80, 2012
6Z45
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BU of 6z45 by Molmil
CDK9-Cyclin-T1 complex bound by compound 24
Descriptor: (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ...
Authors:Ferguson, A, Collie, G.W.
Deposit date:2020-05-22
Release date:2020-12-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
5XQM
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BU of 5xqm by Molmil
NMR solution structure of SMO1, Sumo homologue in Caenorhabditis elegans
Descriptor: Small ubiquitin-related modifier
Authors:Gowda, C.M, Surana, P, Das, R.
Deposit date:2017-06-07
Release date:2017-11-08
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structural and functional analysis of SMO-1, the SUMO homolog in Caenorhabditis elegans
PLoS ONE, 12, 2017
3QB1
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BU of 3qb1 by Molmil
Interleukin-2 mutant D10
Descriptor: Interleukin-2
Authors:Levin, A.M, Bates, D.L, Ring, A.M, Lin, J.T, Su, L, Krieg, C, Bowman, G.R, Novick, P, Pande, V.S, Khort, H.E, Boyman, O, Fathman, C.G, Garcia, K.C.
Deposit date:2011-01-12
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Exploiting a natural conformational switch to engineer an interleukin-2 'superkine'
Nature, 484, 2012
4IB0
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BU of 4ib0 by Molmil
X-ray Structure of cAMP dependent protein kinase A in complex with high Na+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, SODIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-07
Release date:2013-12-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Metal-Free cAMP-Dependent Protein Kinase Can Catalyze Phosphoryl Transfer.
Biochemistry, 53, 2014
4IAD
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BU of 4iad by Molmil
Low temperature X-ray Structure OF cAMP dependent protein kinase A in complex with high Mg2+ concentration, ADP and phosphorylated peptide pSP20
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphorylated peptide pSP20, ...
Authors:Gerlits, O, Kovalevsky, A.
Deposit date:2012-12-06
Release date:2013-06-12
Last modified:2016-09-21
Method:X-RAY DIFFRACTION (1.9 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
3QB7
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BU of 3qb7 by Molmil
Interleukin-4 mutant RGA bound to cytokine receptor common gamma
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cytokine receptor common subunit gamma, ...
Authors:Bates, D.L, Junttila, I.S, Creusot, R.J, Moraga, I, Lupardus, P, Fathman, C.G, Paul, W.E, Garcia, K.C.
Deposit date:2011-01-12
Release date:2012-04-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.245 Å)
Cite:Redirecting cell-type specific cytokine responses with engineered interleukin-4 superkines.
Nat.Chem.Biol., 8, 2012
1ZQ3
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BU of 1zq3 by Molmil
NMR Solution Structure of the Bicoid Homeodomain Bound to the Consensus DNA Binding Site TAATCC
Descriptor: 5'-D(*CP*GP*GP*GP*GP*AP*TP*TP*AP*GP*AP*GP*C)-3', 5'-D(*GP*CP*TP*CP*TP*AP*AP*TP*CP*CP*CP*CP*G)-3', Homeotic bicoid protein
Authors:Baird-Titus, J.M, Rance, M, Clark-Baldwin, K, Ma, J, Vrushank, D.
Deposit date:2005-05-18
Release date:2006-02-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of the native K50 Bicoid homeodomain bound to the consensus TAATCC DNA-binding site.
J.Mol.Biol., 356, 2006
8USS
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BU of 8uss by Molmil
IL17A complexed to Compound 7
Descriptor: 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A
Authors:Argiriadi, M.A, Ramos, A.L.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
8USR
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BU of 8usr by Molmil
IL17A homodimer complexed to Compound 23
Descriptor: Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide
Authors:Argiriadi, M.A, Ramos, A.L.
Deposit date:2023-10-29
Release date:2024-04-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
4HKC
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BU of 4hkc by Molmil
14-3-3-zeta in complex with S1011 phosphorylated integrin alpha-4 peptide
Descriptor: 14-3-3 protein zeta/delta, GLYCEROL, alpha-4 integrin derived phosphorylated peptide
Authors:Bonet, R, Campbell, I.D.
Deposit date:2012-10-15
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Characterization of 14-3-3-zeta Interactions with integrin tails
J.Mol.Biol., 425, 2013
1EV1
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BU of 1ev1 by Molmil
ECHOVIRUS 1
Descriptor: ECHOVIRUS 1, MYRISTIC ACID, PALMITIC ACID
Authors:Wien, M.W, Filman, D.J, Hogle, J.M.
Deposit date:1997-12-02
Release date:1999-01-27
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structure determination of echovirus 1.
Acta Crystallogr.,Sect.D, 54, 1998
5YK3
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BU of 5yk3 by Molmil
human Ragulator complex
Descriptor: Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, Ragulator complex protein LAMTOR3, ...
Authors:Wu, G, Mu, Z.
Deposit date:2017-10-12
Release date:2019-01-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Structural insight into the Ragulator complex which anchors mTORC1 to the lysosomal membrane
Cell Discov, 3, 2017
8CHW
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BU of 8chw by Molmil
Crystal structure of human PURA (fragment Pro216-Lys280, PUR repeat III)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Transcriptional activator protein Pur-alpha
Authors:Janowski, R, Niessing, D.
Deposit date:2023-02-08
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association.
Elife, 13, 2024
8CHT
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BU of 8cht by Molmil
Crystal structure of human PURA (fragment Glu57-Glu212, PUR repeat I and II)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Transcriptional activator protein Pur-alpha
Authors:Janowski, R, Niessing, D.
Deposit date:2023-02-08
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association.
Elife, 13, 2024
8CHV
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BU of 8chv by Molmil
Crystal structure of human PURA (fragment Glu57-Glu212, PUR repeat I and II) R140P mutant
Descriptor: Transcriptional activator protein Pur-alpha
Authors:Janowski, R, Niessing, D.
Deposit date:2023-02-08
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association.
Elife, 13, 2024
8CHU
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BU of 8chu by Molmil
Crystal structure of human PURA repeat I-II K97E mutant
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Transcriptional activator protein Pur-alpha
Authors:Janowski, R, Niessing, D.
Deposit date:2023-02-08
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:PURA syndrome-causing mutations impair PUR-domain integrity and affect P-body association.
Elife, 13, 2024

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PDB entries from 2024-10-09

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