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4EZK
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BU of 4ezk by Molmil
Potent and Selective Inhibitors of PI3K-delta: Obtaining Isoform Selectivity from the Affinity Pocket and Tryptophan Shelf
Descriptor: 2-(1-{[2-(2H-indazol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M.
Deposit date:2012-05-02
Release date:2013-04-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Potent and selective inhibitors of PI3K-delta: obtaining isoform selectivity from the affinity pocket and tryptophan shelf
Bioorg.Med.Chem.Lett., 22, 2012
4EZL
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BU of 4ezl by Molmil
Potent and Selective Inhibitors of PI3K-delta: Obtaining Isoform Selectivity from the Affinity Pocket and Tryptophan Shelf
Descriptor: 2-(1-{[2-(2-aminopyrimidin-5-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M.
Deposit date:2012-05-02
Release date:2013-04-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:Potent and selective inhibitors of PI3K-delta: obtaining isoform selectivity from the affinity pocket and tryptophan shelf
Bioorg.Med.Chem.Lett., 22, 2012
4EZJ
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BU of 4ezj by Molmil
Potent and Selective Inhibitors of PI3K-delta: Obtaining Isoform Selectivity from the Affinity Pocket and Tryptophan Shelf
Descriptor: 2-(1-{[2-(5-fluoro-1H-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl}piperidin-4-yl)propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M.
Deposit date:2012-05-02
Release date:2013-04-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Potent and selective inhibitors of PI3K-delta: obtaining isoform selectivity from the affinity pocket and tryptophan shelf
Bioorg.Med.Chem.Lett., 22, 2012
1JXF
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BU of 1jxf by Molmil
SOLUTION STRUCTURE OF REDUCED CU(I) PLASTOCYANIN FROM SYNECHOCYSTIS PCC6803
Descriptor: COPPER (II) ION, PLASTOCYANIN
Authors:Bertini, I, Bryant, D.A, Ciurli, S, Dikiy, A, Fernandez, C.O, Luchinat, C, Safarov, N, Vila, A.J, Zhao, J.
Deposit date:2001-09-07
Release date:2001-09-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Backbone dynamics of plastocyanin in both oxidation states. Solution structure of the reduced form and comparison with the oxidized state.
J.Biol.Chem., 276, 2001
1JXD
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BU of 1jxd by Molmil
SOLUTION STRUCTURE OF REDUCED CU(I) PLASTOCYANIN FROM SYNECHOCYSTIS PCC6803
Descriptor: COPPER (II) ION, PLASTOCYANIN
Authors:Bertini, I, Bryant, D.A, Ciurli, S, Dikiy, A, Fernandez, C.O, Luchinat, C, Safarov, N, Vila, A.J, Zhao, J.
Deposit date:2001-09-07
Release date:2001-09-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Backbone dynamics of plastocyanin in both oxidation states. Solution structure of the reduced form and comparison with the oxidized state.
J.Biol.Chem., 276, 2001
3GAT
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BU of 3gat by Molmil
SOLUTION NMR STRUCTURE OF THE C-TERMINAL DOMAIN OF CHICKEN GATA-1 BOUND TO DNA, 34 STRUCTURES
Descriptor: DNA (5'-D(*AP*AP*TP*GP*TP*TP*TP*AP*TP*CP*TP*GP*CP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*AP*GP*AP*TP*AP*AP*AP*CP*AP*TP*T)-3'), ERYTHROID TRANSCRIPTION FACTOR GATA-1, ...
Authors:Clore, G.M, Tjandra, N, Starich, M, Omichinski, J.G, Gronenborn, A.M.
Deposit date:1997-11-07
Release date:1998-01-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Use of dipolar 1H-15N and 1H-13C couplings in the structure determination of magnetically oriented macromolecules in solution.
Nat.Struct.Biol., 4, 1997
3RTX
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BU of 3rtx by Molmil
Crystal structure of mammalian capping enzyme (Mce1) and Pol II CTD complex
Descriptor: GUANINE, RNA Polymerase II C-terminal domain, mRNA-capping enzyme
Authors:Ghosh, A, Lima, C.D.
Deposit date:2011-05-04
Release date:2011-06-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Structural insights to how mammalian capping enzyme reads the CTD code.
Mol.Cell, 43, 2011
4S0H
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BU of 4s0h by Molmil
TBX5 DB, NKX2.5 HD, ANF DNA Complex
Descriptor: 5'-D(*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP*GP*TP*GP*AP*GP*A)-3', 5'-D(*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP*TP*GP*AP*AP*GP*TP*GP*G)-3', Homeobox protein Nkx-2.5, ...
Authors:Pradhan, L.
Deposit date:2014-12-31
Release date:2015-12-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.817 Å)
Cite:Intermolecular Interactions of Cardiac Transcription Factors NKX2.5 and TBX5.
Biochemistry, 55, 2016
2HV9
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BU of 2hv9 by Molmil
Encephalitozoon cuniculi mRNA Cap (Guanine-N7) Methyltransferase in complex with sinefungin
Descriptor: SINEFUNGIN, mRNA cap guanine-N7 methyltransferase
Authors:Lima, C.D.
Deposit date:2006-07-27
Release date:2006-09-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mutational Analysis of Encephalitozoon cuniculi mRNA Cap (Guanine-N7) Methyltransferase, Structure of the Enzyme Bound to Sinefungin, and Evidence That Cap Methyltransferase Is the Target of Sinefungin's Antifungal Activity
J.Biol.Chem., 281, 2006
3ARN
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BU of 3arn by Molmil
Human dUTPase in complex with novel uracil derivative
Descriptor: Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION, N-{5-[(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methoxy]-2-methylpentan-2-yl}benzenesulfonamide
Authors:Chong, K.T, Miyahara, S, Miyakoshi, H, Fukuoka, M.
Deposit date:2010-12-03
Release date:2010-12-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a novel class of potent human deoxyuridine triphosphatase inhibitors remarkably enhancing the antitumor activity of thymidylate synthase inhibitors
J.Med.Chem., 55, 2012
3U4H
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BU of 3u4h by Molmil
CD38 structure-based inhibitor design using the N1-cyclic inosine 5'-diphosphate ribose template
Descriptor: 8-Amino-N1-Cyclic Inosine 5'-Diphosphoribose, ADP-ribosyl cyclase 1
Authors:Liu, Q, Hao, Q, Lee, H.C, Graeff, R.
Deposit date:2011-10-08
Release date:2012-10-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.878 Å)
Cite:CD38 Structure-Based Inhibitor Design Using the N1-Cyclic Inosine 5'-Diphosphate Ribose Template
Plos One, 8, 2013
3U4I
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BU of 3u4i by Molmil
CD38 structure-based inhibitor design using the N1-cyclic inosine 5'-diphosphate ribose template
Descriptor: ADP-ribosyl cyclase 1, Cyclic adenosine 5'-diphosphocarbocyclic ribose
Authors:Liu, Q, Hao, Q, Lee, H.C, Graeff, R.
Deposit date:2011-10-08
Release date:2012-10-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.118 Å)
Cite:CD38 Structure-Based Inhibitor Design Using the N1-Cyclic Inosine 5'-Diphosphate Ribose Template
Plos One, 8, 2013
3ARA
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BU of 3ara by Molmil
Discovery of Novel Uracil Derivatives as Potent Human dUTPase Inhibitors
Descriptor: 1-[3-({(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl}sulfonyl)propyl]pyrimidine-2,4(1H,3H)-dione, Deoxyuridine 5'-triphosphate nucleotidohydrolase, MAGNESIUM ION
Authors:Chong, K.T, Miyakoshi, H, Miyahara, S, Fukuoka, M.
Deposit date:2010-11-25
Release date:2010-12-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synthesis and discovery of N-carbonylpyrrolidine- or N-sulfonylpyrrolidine-containing uracil derivatives as potent human deoxyuridine triphosphatase inhibitors
J.Med.Chem., 55, 2012
4PN0
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BU of 4pn0 by Molmil
Structure of S. pombe Pct1 RNA triphosphatase
Descriptor: mRNA-capping enzyme subunit beta
Authors:Lima, C.D, Doamekpor, S.K.
Deposit date:2014-05-22
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fission yeast RNA triphosphatase reads an Spt5 CTD code.
Rna, 21, 2015
4PN1
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BU of 4pn1 by Molmil
Structure of S. pombe Pct1 RNA triphosphatase in complex with the Spt5 CTD
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, Synthetic peptide, ...
Authors:Lima, C.D, Doamekpor, S.K.
Deposit date:2014-05-22
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Fission yeast RNA triphosphatase reads an Spt5 CTD code.
Rna, 21, 2015
3MHA
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BU of 3mha by Molmil
Crystal structure of LprG from Mycobacterium tuberculosis bound to PIM
Descriptor: (1S,2R,3R,4S,5R,6S)-2-(alpha-L-allopyranosyloxy)-3,4,5-trihydroxy-6-({6-O-[(1R)-1-hydroxyhexadecyl]-beta-L-gulopyranosyl}oxy)cyclohexyl (2R)-2-{[(1S)-1-hydroxyhexadecyl]oxy}-3-{[(1S,10S)-1-hydroxy-10-methyloctadecyl]oxy}propyl hydrogen (R)-phosphate, Lipoprotein lprG
Authors:Tsai, H.-C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-04-07
Release date:2010-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mycobacterium tuberculosis lipoprotein LprG (Rv1411c) binds triacylated glycolipid agonists of Toll-like receptor 2.
Nat.Struct.Mol.Biol., 17, 2010
2HVQ
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BU of 2hvq by Molmil
Structure of Adenylated full-length T4 RNA Ligase 2
Descriptor: Hypothetical 37.6 kDa protein in Gp24-hoc intergenic region, MAGNESIUM ION
Authors:Nandakumar, J, Lima, C.D.
Deposit date:2006-07-30
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:RNA Ligase Structures Reveal the Basis for RNA Specificity and Conformational Changes that Drive Ligation Forward.
Cell(Cambridge,Mass.), 127, 2006
2HVS
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BU of 2hvs by Molmil
Structure of T4 RNA Ligase 2 with Nicked 5'-Adenylated nucleic acid duplex containing a 2'-deoxyribonucleotide at the nick
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*TP*TP*G)-3', 5'-D(*CP*AP*AP*TP*TP*GP*CP*GP*AP*C)-R(P*(OMC)P*C)-3', ...
Authors:Nandakumar, J, Lima, C.D.
Deposit date:2006-07-30
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:RNA Ligase Structures Reveal the Basis for RNA Specificity and Conformational Changes that Drive Ligation Forward.
Cell(Cambridge,Mass.), 127, 2006
2HVR
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BU of 2hvr by Molmil
Structure of T4 RNA Ligase 2 with Nicked 5'-Adenylated nucleic acid duplex containing a 3'-deoxyribonucleotide at the nick
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-D(*AP*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*TP*TP*G)-3', 5'-D(*CP*AP*AP*TP*TP*GP*CP*GP*AP*C)-R(P*(OMC)P*C)-3', ...
Authors:Nandakumar, J, Lima, C.D.
Deposit date:2006-07-30
Release date:2006-10-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:RNA Ligase Structures Reveal the Basis for RNA Specificity and Conformational Changes that Drive Ligation Forward.
Cell(Cambridge,Mass.), 127, 2006
4PZ8
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BU of 4pz8 by Molmil
PCE1 guanylyltransferase bound to SPT5 CTD
Descriptor: SULFATE ION, Transcription elongation factor spt5, mRNA-capping enzyme subunit alpha
Authors:Doamekpor, S.K, Lima, C.D.
Deposit date:2014-03-28
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:How an mRNA capping enzyme reads distinct RNA polymerase II and Spt5 CTD phosphorylation codes.
Genes Dev., 28, 2014
4PZ6
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BU of 4pz6 by Molmil
PCE1 guanylyltransferase bound to SER2/SER5 phosphorylated RNA pol II CTD
Descriptor: DNA-directed RNA polymerase II subunit rpb1, GUANOSINE, mRNA-capping enzyme subunit alpha
Authors:Doamekpor, S.K, Lima, C.D.
Deposit date:2014-03-28
Release date:2014-06-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:How an mRNA capping enzyme reads distinct RNA polymerase II and Spt5 CTD phosphorylation codes.
Genes Dev., 28, 2014
4PZ7
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BU of 4pz7 by Molmil
PCE1 guanylyltransferase
Descriptor: GLYCEROL, SULFATE ION, mRNA-capping enzyme subunit alpha
Authors:Doamekpor, S.K, Lima, C.D.
Deposit date:2014-03-28
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.109 Å)
Cite:How an mRNA capping enzyme reads distinct RNA polymerase II and Spt5 CTD phosphorylation codes.
Genes Dev., 28, 2014
4LOH
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BU of 4loh by Molmil
Crystal structure of hSTING(H232) in complex with c[G(2',5')pA(3',5')p]
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Gao, P, Patel, D.J.
Deposit date:2013-07-12
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
4LOJ
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BU of 4loj by Molmil
Crystal structure of mSting in complex with c[G(2',5')pA(3',5')p]
Descriptor: Stimulator of interferon genes protein, cGAMP
Authors:Gao, P, Patel, D.J.
Deposit date:2013-07-12
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013
4LOI
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BU of 4loi by Molmil
Crystal structure of hSTING(H232) in complex with c[G(2',5')pA(2',5')p]
Descriptor: 2-amino-9-[(1R,3R,6R,8R,9R,11S,14R,16R,17R,18R)-16-(6-amino-9H-purin-9-yl)-3,11,17,18-tetrahydroxy-3,11-dioxido-2,4,7,10,12,15-hexaoxa-3,11-diphosphatricyclo[12.2.1.1~6,9~]octadec-8-yl]-1,9-dihydro-6H-purin-6-one, PHOSPHATE ION, Stimulator of interferon genes protein
Authors:Gao, P, Patel, D.J.
Deposit date:2013-07-12
Release date:2013-08-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure-Function Analysis of STING Activation by c[G(2',5')pA(3',5')p] and Targeting by Antiviral DMXAA.
Cell(Cambridge,Mass.), 154, 2013

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