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7OIL
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BU of 7oil by Molmil
mPI3Kd in complex with compound 58
Descriptor: 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION
Authors:Petersen, J.
Deposit date:2021-05-11
Release date:2021-07-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
7OI4
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BU of 7oi4 by Molmil
mPI3Kd in complex with compound 12
Descriptor: N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Authors:Petersen, J.
Deposit date:2021-05-11
Release date:2021-07-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
4DQQ
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BU of 4dqq by Molmil
Ternary complex of Bacillus DNA Polymerase I Large Fragment E658A, DNA duplex, and rCTP (paired with dG of template) in presence of Mg2+
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-02-16
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.595 Å)
Cite:Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
4DQS
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BU of 4dqs by Molmil
Binary complex of Bacillus DNA Polymerase I Large Fragment and duplex DNA with rC in primer terminus paired with dG of template
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*A*CP*GP*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3'), DNA polymerase, ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-02-16
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
4DSF
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BU of 4dsf by Molmil
Ternary complex of Bacillus DNA Polymerase I Large Fragment F710Y, DNA duplex, and rCTP (paired with dG of template) in presence of Mn2+
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DOC))-3'), ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-02-18
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.661 Å)
Cite:Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
3E3F
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BU of 3e3f by Molmil
H. influenzae beta-carbonic anhydrase, variant V47A with 100 mM bicarbonate
Descriptor: BICARBONATE ION, Carbonic anhydrase 2, ZINC ION
Authors:Rowlett, R.S, Mysliwiec, M.
Deposit date:2008-08-07
Release date:2009-08-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Evidence for a bicarbonate "escort" site in Haemophilus influenzae beta-carbonic anhydrase .
Biochemistry, 49, 2010
4EZ9
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BU of 4ez9 by Molmil
Bacillus DNA Polymerase I Large Fragment Complex 2
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*GP*TP*CP*AP*GP*G)-3'), ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-05-02
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structures of a High-fidelity DNA Polymerase
to be published
3O70
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BU of 3o70 by Molmil
PHD-type zinc finger of human PHD finger protein 13
Descriptor: GLYCEROL, PHD finger protein 13, ZINC ION
Authors:Lam, R, Bian, C.B, Xu, C, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-07-29
Release date:2010-09-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:PHF13 is a molecular reader and transcriptional co-regulator of H3K4me2/3.
Elife, 5, 2016
3TAR
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BU of 3tar by Molmil
Crystal Structure of Bacillus DNA Polymerase I Large Fragment Bound to Duplex DNA with Cytosine-Adenine Mismatch at (n-6) Position
Descriptor: 5'-D(*GP*AP*CP*GP*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3', 5'-D(*GP*CP*GP*AP*TP*CP*AP*CP*GP*CP*AP*CP*GP*TP*C)-3', DNA polymerase I, ...
Authors:Wang, W, Beese, L.S.
Deposit date:2011-08-04
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural evidence for the rare tautomer hypothesis of spontaneous mutagenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
1MCV
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BU of 1mcv by Molmil
Crystal Structure Analysis of a Hybrid Squash Inhibitor in Complex with Porcine Pancreatic Elastase
Descriptor: CALCIUM ION, Elastase 1, HEI-TOE I, ...
Authors:Ay, J, Hilpert, K, Krauss, N, Schneider-Mergener, J, Hoehne, W.
Deposit date:2002-08-06
Release date:2003-02-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a hybrid squash inhibitor in complex with porcine pancreatic elastase at 1.8 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
4DS4
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BU of 4ds4 by Molmil
Ternary complex of Bacillus DNA Polymerase I Large Fragment, DNA duplex, and rCTP in presence of Mn2+
Descriptor: DNA (5'-D(*CP*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DOC))-3'), DNA polymerase, ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-02-17
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.681 Å)
Cite:Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
3GZF
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BU of 3gzf by Molmil
Structure of the C-terminal domain of nsp4 from Feline Coronavirus
Descriptor: Replicase polyprotein 1ab, SULFATE ION
Authors:Manolaridis, I, Wojdyla, J.A, Panjikar, S, Snijder, E.J, Gorbalenya, A.E, Coutard, B, Tucker, P.A.
Deposit date:2009-04-07
Release date:2009-08-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.756 Å)
Cite:Structure of the C-terminal domain of nsp4 from feline coronavirus
Acta Crystallogr.,Sect.D, 65, 2009
4DQP
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BU of 4dqp by Molmil
Ternary complex of Bacillus DNA Polymerase I Large Fragment, DNA duplex, and ddCTP (paired with dG of template)
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*C*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DOC))-3'), ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-02-16
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
3SFX
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BU of 3sfx by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPT-II and tipifarnib
Descriptor: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE, Cryptococcus neoformans protein farnesyltransferase alpha subunit, ...
Authors:Hast, M.A, Beese, L.S.
Deposit date:2011-06-14
Release date:2011-08-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of Cryptococcus neoformans Protein Farnesyltransferase Reveal Strategies for Developing Inhibitors That Target Fungal Pathogens.
J.Biol.Chem., 286, 2011
4DSE
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BU of 4dse by Molmil
Ternary complex of Bacillus DNA Polymerase I Large Fragment F710Y, DNA duplex, and rCTP (paired with dG of template) in presence of Mg2+
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DOC))-3'), ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-02-18
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
4DQI
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BU of 4dqi by Molmil
Ternary complex of Bacillus DNA Polymerase I Large Fragment, DNA duplex, and dCTP (paired with dG of template)
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*C*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DOC))-3'), ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-02-15
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
4DS5
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BU of 4ds5 by Molmil
Ternary complex of Bacillus DNA Polymerase I Large Fragment, DNA duplex, and rCTP in presence of Mg2+
Descriptor: DNA (5'-D(*CP*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*C)-3'), DNA polymerase, ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-02-17
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Structural factors that determine selectivity of a high fidelity DNA polymerase for deoxy-, dideoxy-, and ribonucleotides.
J.Biol.Chem., 287, 2012
3SFY
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BU of 3sfy by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPT-II and ethylenediamine inhibitor 2
Descriptor: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, Cryptococcus neoformans protein farnesyltransferase alpha subunit, Cryptococcus neoformans protein farnesyltransferase beta subunit, ...
Authors:Hast, M.A, Beese, L.S.
Deposit date:2011-06-14
Release date:2011-08-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of Cryptococcus neoformans Protein Farnesyltransferase Reveal Strategies for Developing Inhibitors That Target Fungal Pathogens.
J.Biol.Chem., 286, 2011
4EZ6
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BU of 4ez6 by Molmil
Bacillus DNA Polymerase I Large Fragment Complex 1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*GP*CP*GP*AP*GP*TP*CP*AP*GP*G)-3'), ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-05-02
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structures of a High-fidelity DNA Polymerase
to be published
4F4K
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BU of 4f4k by Molmil
DNA Polymerase I Large Fragment Complex 6
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*TP*CP*GP*AP*GP*TP*CP*AP*GP*G)-3'), ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-05-10
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structures of a High-fidelity DNA Polymerase
to be published
4F2R
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BU of 4f2r by Molmil
DNA Polymerase I Large Fragment complex 3
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*GP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DOC))-3'), ...
Authors:Wang, W, Beese, L.S.
Deposit date:2012-05-08
Release date:2013-07-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structures of a High-fidelity DNA Polymerase
to be published
3TAP
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BU of 3tap by Molmil
Crystal Structure of Bacillus DNA Polymerase I Large Fragment Bound to Duplex DNA with Cytosine-Adenine Mismatch at (n-3) Position
Descriptor: 5'-D(*G*CP*GP*AP*TP*CP*AP*CP*GP*CP*AP*C)-3', 5'-D(*GP*A*CP*GP*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3', DNA polymerase I, ...
Authors:Wang, W, Beese, L.S.
Deposit date:2011-08-04
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.655 Å)
Cite:Structural evidence for the rare tautomer hypothesis of spontaneous mutagenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3TAQ
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BU of 3taq by Molmil
Crystal Structure of Bacillus DNA Polymerase I Large Fragment Bound to Duplex DNA with Cytosine-Adenine Mismatch at (n-4) Position
Descriptor: 5'-D(*GP*AP*CP*GP*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3', 5'-D(*GP*C*GP*AP*TP*CP*AP*CP*GP*CP*AP*CP*G)-3', DNA polymerase I, ...
Authors:Wang, W, Beese, L.S.
Deposit date:2011-08-04
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural evidence for the rare tautomer hypothesis of spontaneous mutagenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3TAN
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BU of 3tan by Molmil
Crystal Structure of Bacillus DNA Polymerase I Large Fragment Bound to Duplex DNA with Cytosine-Adenine Mismatch at (n-1) Position
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*GP*AP*CP*GP*T*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3', 5'-D(*GP*CP*GP*AP*TP*CP*AP*CP*GP*C)-3', ...
Authors:Wang, W, Beese, L.S.
Deposit date:2011-08-04
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural evidence for the rare tautomer hypothesis of spontaneous mutagenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3O7A
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BU of 3o7a by Molmil
Crystal structure of PHF13 in complex with H3K4me3
Descriptor: GLYCEROL, H3K4ME3 HISTONE 11MER-PEPTIDE, PHD finger protein 13 variant, ...
Authors:Bian, C.B, Lam, R, Xu, C, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-07-30
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:PHF13 is a molecular reader and transcriptional co-regulator of H3K4me2/3.
Elife, 5, 2016

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