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1T8I
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BU of 1t8i by Molmil
Human DNA Topoisomerase I (70 Kda) In Complex With The Poison Camptothecin and Covalent Complex With A 22 Base Pair DNA Duplex
Descriptor: 4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE, 5'-D(*(TGP)P*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-3', ...
Authors:Staker, B.L, Feese, M.D, Cushman, M, Pommier, Y, Zembower, D, Stewart, L, Burgin, A.B.
Deposit date:2004-05-12
Release date:2005-05-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of three classes of anticancer agents bound to the human topoisomerase I-DNA covalent complex
J.Med.Chem., 48, 2005
1NH3
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BU of 1nh3 by Molmil
Human Topoisomerase I Ara-C Complex
Descriptor: 5'-D(*(GNG)P*GP*AP*AP*AP*AP*AP*UP*UP*UP*UP*T)-3', 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*UP*(UBB))-3', 5'-D(*AP*AP*AP*AP*AP*TP*UP*UP*UP*UP*CP*(CAR)P*AP*AP*GP*UP*CP*UP*UP*UP*UP*T)-3', ...
Authors:Chrencik, J.E, Burgin, A.B, Pommier, Y, Stewart, L, Redinbo, M.R.
Deposit date:2002-12-18
Release date:2003-03-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural Impact of the Leukemia Drug 1-beta-D-Arabinofuranosylcytosine (Ara-C) on the Covalent Human Topoisomerase I-DNA Complex
J.Biol.Chem., 278, 2003
1RRJ
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BU of 1rrj by Molmil
Structural Mechanisms of Camptothecin Resistance by Mutations in Human Topoisomerase I
Descriptor: (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID, 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T*GP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ...
Authors:Chrencik, J.E, Staker, B.L, Burgin, A.B, Stewart, L, Redinbo, M.R.
Deposit date:2003-12-08
Release date:2004-07-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanisms of camptothecin resistance by human topoisomerase I mutations
J.Mol.Biol., 339, 2004
1RR8
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BU of 1rr8 by Molmil
Structural Mechanisms of Camptothecin Resistance by Mutations in Human Topoisomerase I
Descriptor: (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY-8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO-INDOLIZINO[1,2-B]QUINOLIN-7-YL)-2-HYDROXY-BUTYRIC ACID, 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T*GP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ...
Authors:Chrencik, J.E, Staker, B.L, Burgin, A.B, Stewart, L, Redinbo, M.R.
Deposit date:2003-12-08
Release date:2004-07-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanisms of camptothecin resistance by human topoisomerase I mutations
J.Mol.Biol., 339, 2004
1SEU
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BU of 1seu by Molmil
Human DNA Topoisomerase I (70 Kda) In Complex With The Indolocarbazole SA315F and Covalent Complex With A 22 Base Pair DNA Duplex
Descriptor: 2,10-DIHYDROXY-12-(BETA-D-GLUCOPYRANOSYL)-6,7,12,13-TETRAHYDROINDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7-DIONE, 5'-D(*(TGP)P*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-3', ...
Authors:Staker, B.L, Feese, M.D, Cushman, M, Pommier, Y, Zembower, D, Stewart, L, Burgin, A.B.
Deposit date:2004-02-18
Release date:2005-04-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of three classes of anticancer agents bound to the human topoisomerase I-DNA covalent complex
J.Med.Chem., 48, 2005
1SC7
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BU of 1sc7 by Molmil
Human DNA Topoisomerase I (70 Kda) In Complex With The Indenoisoquinoline MJ-II-38 and Covalent Complex With A 22 Base Pair DNA Duplex
Descriptor: 4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE, 5'-D(*(TGP)P*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-3', ...
Authors:Staker, B.L, Feese, M.D, Cushman, M, Pommier, Y, Zembower, D, Stewart, L, Burgin, A.B.
Deposit date:2004-02-11
Release date:2005-04-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of three classes of anticancer agents bound to the human topoisomerase I-DNA covalent complex
J.Med.Chem., 48, 2005
3L4J
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BU of 3l4j by Molmil
Topoisomerase II-DNA cleavage complex, apo
Descriptor: 3'-THIO-THYMIDINE-5'-PHOSPHATE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*CP*GP*TP*CP*AP*TP*CP*C)-3'), DNA (5'-D(*CP*GP*CP*GP*GP*TP*AP*GP*CP*AP*GP*TP*AP*GP*G)-3'), ...
Authors:Schmidt, B.H, Burgin, A.B, Deweese, J.E, Osheroff, N, Berger, J.M.
Deposit date:2009-12-20
Release date:2010-05-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:A novel and unified two-metal mechanism for DNA cleavage by type II and IA topoisomerases.
Nature, 465, 2010
3L4K
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BU of 3l4k by Molmil
Topoisomerase II-DNA cleavage complex, metal-bound
Descriptor: 3'-THIO-THYMIDINE-5'-PHOSPHATE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*CP*GP*TP*CP*AP*TP*CP*C)-3'), DNA (5'-D(*CP*GP*CP*GP*GP*TP*AP*GP*CP*AP*GP*TP*AP*GP*G)-3'), ...
Authors:Schmidt, B.H, Burgin, A.B, Deweese, J.E, Osheroff, N, Berger, J.M.
Deposit date:2009-12-20
Release date:2010-05-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:A novel and unified two-metal mechanism for DNA cleavage by type II and IA topoisomerases.
Nature, 465, 2010
3IAD
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BU of 3iad by Molmil
Crystal structure of human phosphodiesterase 4D with bound allosteric modulator
Descriptor: 1-{4-[(2-fluoro-6-methoxy-3'-nitrobiphenyl-3-yl)methyl]phenyl}urea, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, ...
Authors:Staker, B.L, Burgin Jr, A.B.
Deposit date:2009-07-13
Release date:2010-01-05
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
3G45
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BU of 3g45 by Molmil
Crystal structure of human phosphodiesterase 4b with regulatory domain and d155988
Descriptor: 8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline, MAGNESIUM ION, ZINC ION, ...
Authors:Staker, B.L.
Deposit date:2009-02-03
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
3G4G
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BU of 3g4g by Molmil
Crystal structure of human phosphodiesterase 4d with regulatory domain and d155871
Descriptor: 1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, CALCIUM ION, MAGNESIUM ION, ...
Authors:Staker, B.L.
Deposit date:2009-02-03
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
3G4L
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BU of 3g4l by Molmil
Crystal structure of human phosphodiesterase 4d with roflumilast
Descriptor: 1,2-ETHANEDIOL, 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE, MAGNESIUM ION, ...
Authors:Staker, B.L.
Deposit date:2009-02-03
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
3G58
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BU of 3g58 by Molmil
Crystal structure of human phosphodiesterase 4d with d155988/pmnpq
Descriptor: 1,2-ETHANEDIOL, 8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)quinoline, MAGNESIUM ION, ...
Authors:Staker, B.L.
Deposit date:2009-02-04
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
3G4I
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BU of 3g4i by Molmil
Crystal structure of human phosphodiesterase 4d with d155871
Descriptor: 1-(3-nitrophenyl)-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, ETHANOL, MAGNESIUM ION, ...
Authors:Staker, B.L.
Deposit date:2009-02-03
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
3G4K
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BU of 3g4k by Molmil
Crystal structure of human phosphodiesterase 4d with rolipram
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, ROLIPRAM, ...
Authors:Staker, B.L.
Deposit date:2009-02-03
Release date:2010-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design of phosphodiesterase 4D (PDE4D) allosteric modulators for enhancing cognition with improved safety.
Nat.Biotechnol., 28, 2010
3UWB
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BU of 3uwb by Molmil
Crystal structure of a probable peptide deformylase from strucynechococcus phage S-SSM7 in complex with actinonin
Descriptor: 1,2-ETHANEDIOL, ACTINONIN, CHLORIDE ION, ...
Authors:Lorimer, D, Abendroth, J, Edwards, T.E, Burgin, A, Segall, A, Rohwer, F.
Deposit date:2011-12-01
Release date:2013-01-09
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and function of a cyanophage-encoded peptide deformylase.
ISME J, 7, 2013
3UWA
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BU of 3uwa by Molmil
Crystal structure of a probable peptide deformylase from synechococcus phage S-SSM7
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, RIIA-RIIB membrane-associated protein, ZINC ION
Authors:Lorimer, D, Abendroth, J, Edwards, T.E, Burgin, A, Segall, A, Rohwer, F.
Deposit date:2011-12-01
Release date:2013-01-09
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and function of a cyanophage-encoded peptide deformylase.
ISME J, 7, 2013
3FTY
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BU of 3fty by Molmil
Leukotriene A4 hydrolase in complex with fragment 3-(benzyloxy)pyridin-2-amine
Descriptor: 3-(BENZYLOXY)PYRIDIN-2-AMINE, ACETATE ION, IMIDAZOLE, ...
Authors:Davies, D.R.
Deposit date:2009-01-13
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
4DR8
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BU of 4dr8 by Molmil
Crystal structure of a peptide deformylase from Synechococcus elongatus
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, FORMIC ACID, ...
Authors:Lorimer, D, Abendroth, J, Craig, T, Burgin, A, Segall, A, Rohwer, F.
Deposit date:2012-02-17
Release date:2013-03-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure and function of a cyanophage-encoded peptide deformylase.
ISME J, 7, 2013
4DR9
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BU of 4dr9 by Molmil
Crystal structure of a peptide deformylase from synechococcus elongatus in complex with actinonin
Descriptor: ACTINONIN, BROMIDE ION, Peptide deformylase, ...
Authors:Lorimer, D, Abendroth, J, Craig, T, Burgin, A, Segall, A, Rohwler, F.
Deposit date:2012-02-17
Release date:2013-01-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and function of a cyanophage-encoded peptide deformylase.
ISME J, 7, 2013
4HQX
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BU of 4hqx by Molmil
CRYSTAL STRUCTURE OF HUMAN PDGF-BB IN COMPLEX WITH A Modified nucleotide aptamer (SOMAmer SL4)
Descriptor: MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ...
Authors:Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C.
Deposit date:2012-10-26
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets.
Proc.Natl.Acad.Sci.USA, 109, 2012
4HQU
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BU of 4hqu by Molmil
Crystal structure of human PDGF-BB in complex with a modified nucleotide aptamer (SOMAmer SL5)
Descriptor: MAGNESIUM ION, Platelet-derived growth factor subunit B, SODIUM ION, ...
Authors:Davies, D.R, Edwards, T.E, Janjic, N, Gelinas, A.D, Zhang, C, Jarvis, T.C.
Deposit date:2012-10-26
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Unique motifs and hydrophobic interactions shape the binding of modified DNA ligands to protein targets.
Proc.Natl.Acad.Sci.USA, 109, 2012
4MYQ
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BU of 4myq by Molmil
Selective Inhibition of the Catalytic Domain Of Human Phosphodiesterase 4B With A-33
Descriptor: (4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Fox III, D, Edwards, T.E.
Deposit date:2013-09-27
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the design of selective phosphodiesterase 4B inhibitors.
Cell Signal, 26, 2014
4NW7
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BU of 4nw7 by Molmil
PDE4 catalytic domain
Descriptor: (4-{[4-(3-chlorophenyl)-6-cyclopropyl-1,3,5-triazin-2-yl]amino}phenyl)acetic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Fox III, D, Edwards, T.E.
Deposit date:2013-12-05
Release date:2014-10-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of triazines as selective PDE4B versus PDE4D inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
4WMW
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BU of 4wmw by Molmil
The structure of MBP-MCL1 bound to ligand 5 at 1.9A
Descriptor: 1,2-ETHANEDIOL, 2-hydroxy-5-(methylsulfanyl)benzoic acid, FORMIC ACID, ...
Authors:Clifton, M.C, Dranow, D.M.
Deposit date:2014-10-09
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.
Plos One, 10, 2015

 

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