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1AKO
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BU of 1ako by Molmil
EXONUCLEASE III FROM ESCHERICHIA COLI
Descriptor: EXONUCLEASE III
Authors:Mol, C.D, Kuo, C.-F, Thayer, M.M, Cunningham, R.P, Tainer, J.A.
Deposit date:1997-05-26
Release date:1997-08-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and function of the multifunctional DNA-repair enzyme exonuclease III.
Nature, 374, 1995
1UGH
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BU of 1ugh by Molmil
CRYSTAL STRUCTURE OF HUMAN URACIL-DNA GLYCOSYLASE IN COMPLEX WITH A PROTEIN INHIBITOR: PROTEIN MIMICRY OF DNA
Descriptor: PROTEIN (URACIL-DNA GLYCOSYLASE INHIBITOR), PROTEIN (URACIL-DNA GLYCOSYLASE)
Authors:Mol, C.D, Arvai, A.S, Sanderson, R.J, Slupphaug, G, Kavli, B, Krokan, H.E, Mosbaugh, D.W, Tainer, J.A.
Deposit date:1999-02-05
Release date:1999-02-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human uracil-DNA glycosylase in complex with a protein inhibitor: protein mimicry of DNA.
Cell(Cambridge,Mass.), 82, 1995
1KEA
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BU of 1kea by Molmil
STRUCTURE OF A THERMOSTABLE THYMINE-DNA GLYCOSYLASE
Descriptor: ACETATE ION, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Mol, C.D, Arvai, A.S, Begley, T.J, Cunningham, R.P, Tainer, J.A.
Deposit date:2001-11-14
Release date:2002-01-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and activity of a thermostable thymine-DNA glycosylase: evidence for base twisting to remove mismatched normal DNA bases.
J.Mol.Biol., 315, 2002
1DE9
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BU of 1de9 by Molmil
HUMAN APE1 ENDONUCLEASE WITH BOUND ABASIC DNA AND MN2+ ION
Descriptor: 5'-d(*CP*TP*AP*C)-3', 5'-d(*GP*AP*TP*CP*GP*GP*TP*AP*G)-3', 5'-d(P*(3DR)P*GP*AP*TP*C)-3', ...
Authors:Mol, C.D, Izumi, T, Mitra, S, Tainer, J.A.
Deposit date:1999-11-13
Release date:2000-02-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:DNA-bound structures and mutants reveal abasic DNA binding by APE1 and DNA repair coordination
Nature, 403, 2000
1DEW
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BU of 1dew by Molmil
CRYSTAL STRUCTURE OF HUMAN APE1 BOUND TO ABASIC DNA
Descriptor: 5'-D(*GP*CP*GP*TP*CP*CP*(3DR)P*CP*GP*AP*CP*GP*AP*CP*G)-3', 5'-D(*GP*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*GP*C)-3', MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE, ...
Authors:Mol, C.D, Izumi, T, Mitra, S, Tainer, J.A.
Deposit date:1999-11-15
Release date:2000-02-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:DNA-bound structures and mutants reveal abasic DNA binding by APE1 and DNA repair coordination
Nature, 403, 2000
1DE8
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BU of 1de8 by Molmil
HUMAN APURINIC/APYRIMIDINIC ENDONUCLEASE-1 (APE1) BOUND TO ABASIC DNA
Descriptor: DNA (5'-D(*CP*GP*AP*TP*CP*GP*GP*TP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*AP*CP*(3DR)P*GP*AP*TP*CP*G)-3'), MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE
Authors:Mol, C.D, Izumi, T, Mitra, S, Tainer, J.A.
Deposit date:1999-11-13
Release date:2000-02-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:DNA-bound structures and mutants reveal abasic DNA binding by APE1 and DNA repair coordination [corrected
Nature, 403, 2000
1P3D
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BU of 1p3d by Molmil
Crystal Structure of UDP-N-acetylmuramic acid:L-alanine ligase (MurC) in Complex with UMA and ANP.
Descriptor: MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UDP-N-acetylmuramate--alanine ligase, ...
Authors:Mol, C.D, Brooun, A, Dougan, D.R, Hilgers, M.T, Tari, L.W, Wijnands, R.A, Knuth, M.W, McRee, D.E, Swanson, R.V.
Deposit date:2003-04-17
Release date:2003-07-15
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae.
J.Bacteriol., 185, 2003
1P31
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BU of 1p31 by Molmil
Crystal Structure of UDP-N-acetylmuramic acid:L-alanine Ligase (MurC) from Haemophilus influenzae
Descriptor: MAGNESIUM ION, UDP-N-acetylmuramate--alanine ligase, URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID
Authors:Mol, C.D, Brooun, A, Dougan, D.R, Hilgers, M.T, Tari, L.W, Wijnands, R.A, Knuth, M.W, McRee, D.E, Swanson, R.V.
Deposit date:2003-04-16
Release date:2003-07-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structures of Active Fully Assembled Substrate- and Product-Bound Complexes of UDP-N-Acetylmuramic Acid:L-Alanine Ligase (MurC) from Haemophilus influenzae.
J.Bacteriol., 185, 2003
1PKG
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BU of 1pkg by Molmil
Structure of a c-Kit Kinase Product Complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, c-kit protein
Authors:Mol, C.D, Lim, K.B, Sridhar, V, Zou, H, Chien, E.Y.T, Sang, B.-C, Nowakowski, J, Kassel, D.B, Cronin, C.N, McRee, D.E.
Deposit date:2003-06-05
Release date:2003-08-12
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of a c-Kit Product Complex Reveals the Basis for Kinase Transactivation.
J.Biol.Chem., 278, 2003
1Q5H
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BU of 1q5h by Molmil
Human dUTP Pyrophosphatase complex with dUDP
Descriptor: DEOXYURIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, dUTP pyrophosphatase
Authors:Mol, C.D, Harris, J.M, McIntosh, E.M, Tainer, J.A.
Deposit date:2003-08-07
Release date:2003-08-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human dUTP pyrophosphatase: uracil recognition by a Beta hairpin and active sites formed by three separate subunits
Structure, 4, 1996
1Q5U
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BU of 1q5u by Molmil
HUMAN DUTP PYROPHOSPHATASE
Descriptor: dUTP pyrophosphatase
Authors:Mol, C.D, Harris, J.M, Mcintosh, E.M, Tainer, J.A.
Deposit date:2003-08-11
Release date:2003-08-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human dUTP Pyrophosphatase: Uracil Recognition by a Beta Hairpin and Active Sites Formed by Three Separate Subunits
Structure, 4, 1996
1T46
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BU of 1t46 by Molmil
STRUCTURAL BASIS FOR THE AUTOINHIBITION AND STI-571 INHIBITION OF C-KIT TYROSINE KINASE
Descriptor: 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog, PHOSPHATE ION
Authors:Mol, C.D, Dougan, D.R, Schneider, T.R, Skene, R.J, Kraus, M.L, Scheibe, D.N, Snell, G.P, Zou, H, Sang, B.C, Wilson, K.P.
Deposit date:2004-04-28
Release date:2004-06-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the autoinhibition and STI-571 inhibition of c-Kit tyrosine kinase.
J.Biol.Chem., 279, 2004
1T45
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BU of 1t45 by Molmil
STRUCTURAL BASIS FOR THE AUTOINHIBITION AND STI-571 INHIBITION OF C-KIT TYROSINE KINASE
Descriptor: Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog
Authors:Mol, C.D, Dougan, D.R, Schneider, T.R, Skene, R.J, Kraus, M.L, Scheibe, D.N, Snell, G.P, Zou, H, Sang, B.C, Wilson, K.P.
Deposit date:2004-04-28
Release date:2004-06-15
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the autoinhibition and STI-571 inhibition of c-Kit tyrosine kinase.
J.Biol.Chem., 279, 2004
3F7Z
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BU of 3f7z by Molmil
X-ray Co-Crystal Structure of Glycogen Synthase Kinase 3beta in Complex with an Inhibitor
Descriptor: 2-(1,3-benzodioxol-5-yl)-5-[(3-fluoro-4-methoxybenzyl)sulfanyl]-1,3,4-oxadiazole, Glycogen synthase kinase-3 beta
Authors:Mol, C.D, Dougan, D.R.
Deposit date:2008-11-10
Release date:2009-03-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.
Bioorg.Med.Chem., 17, 2009
3F88
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BU of 3f88 by Molmil
glycogen synthase Kinase 3beta inhibitor complex
Descriptor: 3-methylbenzonitrile, 5-[1-(4-methoxyphenyl)-1H-benzimidazol-6-yl]-1,3,4-oxadiazole-2(3H)-thione, Glycogen synthase kinase-3 beta
Authors:Mol, C.D, Dougan, D.R.
Deposit date:2008-11-11
Release date:2009-03-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design, synthesis and structure-activity relationships of 1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.
Bioorg.Med.Chem., 17, 2009
1UUG
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BU of 1uug by Molmil
ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE:INHIBITOR COMPLEX WITH WILD-TYPE UDG AND WILD-TYPE UGI
Descriptor: URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR
Authors:Mol, C.D, Arvai, A.S, Putnam, C.D, Tainer, J.A.
Deposit date:1998-10-31
Release date:1999-03-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Protein mimicry of DNA from crystal structures of the uracil-DNA glycosylase inhibitor protein and its complex with Escherichia coli uracil-DNA glycosylase
J.Mol.Biol., 287, 1999
3GB2
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BU of 3gb2 by Molmil
GSK3beta inhibitor complex
Descriptor: 2-methyl-5-(3-{4-[(S)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole, Glycogen synthase kinase-3 beta
Authors:Mol, C.D.
Deposit date:2009-02-18
Release date:2010-03-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:2-{3-[4-(Alkylsulfinyl)phenyl]-1-benzofuran-5-yl}-5-methyl-1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta with good brain permeability.
J.Med.Chem., 52, 2009
1AKZ
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BU of 1akz by Molmil
HUMAN URACIL-DNA GLYCOSYLASE
Descriptor: URACIL-DNA GLYCOSYLASE
Authors:Tainer, J.A, Mol, C.D.
Deposit date:1997-05-27
Release date:1997-08-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Base excision repair initiation revealed by crystal structures and binding kinetics of human uracil-DNA glycosylase with DNA.
Embo J., 17, 1998
1BIX
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BU of 1bix by Molmil
THE CRYSTAL STRUCTURE OF THE HUMAN DNA REPAIR ENDONUCLEASE HAP1 SUGGESTS THE RECOGNITION OF EXTRA-HELICAL DEOXYRIBOSE AT DNA ABASIC SITES
Descriptor: AP ENDONUCLEASE 1, PLATINUM (II) ION, SAMARIUM (III) ION
Authors:Gorman, M.A, Morera, S, Rothwell, D.G, De La Fortelle, E, Mol, C.D, Tainer, J.A, Hickson, I.D, Freemont, P.S.
Deposit date:1998-06-19
Release date:1999-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of the human DNA repair endonuclease HAP1 suggests the recognition of extra-helical deoxyribose at DNA abasic sites.
EMBO J., 16, 1997
4SKN
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BU of 4skn by Molmil
A NUCLEOTIDE-FLIPPING MECHANISM FROM THE STRUCTURE OF HUMAN URACIL-DNA GLYCOSYLASE BOUND TO DNA
Descriptor: DNA (5'-D(*AP*AP*AP*GP*CP*CP*GP*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*(D1P)P*GP*GP*CP*TP*T)-3'), PROTEIN (URACIL-DNA GLYCOSYLASE), ...
Authors:Slupphaug, G, Mol, C.D, Kavli, B, Arvai, A.S, Krokan, H.E, Tainer, J.A.
Deposit date:1999-02-20
Release date:1999-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A nucleotide-flipping mechanism from the structure of human uracil-DNA glycosylase bound to DNA.
Nature, 384, 1996
1B43
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BU of 1b43 by Molmil
FEN-1 FROM P. FURIOSUS
Descriptor: PROTEIN (FEN-1)
Authors:Hosfield, D.J, Mol, C.D, Shen, B, Tainer, J.A.
Deposit date:1999-01-05
Release date:2000-01-12
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the DNA repair and replication endonuclease and exonuclease FEN-1: coupling DNA and PCNA binding to FEN-1 activity.
Cell(Cambridge,Mass.), 95, 1998
2UGI
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BU of 2ugi by Molmil
PROTEIN MIMICRY OF DNA FROM CRYSTAL STRUCTURES OF THE URACIL GLYCOSYLASE INHIBITOR PROTEIN AND ITS COMPLEX WITH ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE
Descriptor: IMIDAZOLE, URACIL-DNA GLYCOSYLASE INHIBITOR
Authors:Putnam, C.D, Arvai, A.S, Mol, C.D, Tainer, J.A.
Deposit date:1998-11-06
Release date:1999-03-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Protein mimicry of DNA from crystal structures of the uracil-DNA glycosylase inhibitor protein and its complex with Escherichia coli uracil-DNA glycosylase
J.Mol.Biol., 287, 1999
2UUG
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BU of 2uug by Molmil
ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE:INHIBITOR COMPLEX WITH H187D MUTANT UDG AND WILD-TYPE UGI
Descriptor: URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR
Authors:Putnam, C.D, Arvai, A.S, Mol, C.D, Tainer, J.A.
Deposit date:1998-10-31
Release date:1999-03-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Protein mimicry of DNA from crystal structures of the uracil-DNA glycosylase inhibitor protein and its complex with Escherichia coli uracil-DNA glycosylase
J.Mol.Biol., 287, 1999
4LGU
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BU of 4lgu by Molmil
Crystal structure of clAP1 BIR3 bound to T3226692
Descriptor: (3S,8aR)-N-((R)-chroman-4-yl)-2-((S)-2-cyclohexyl-2-((S)-2-(methylamino)propanamido)acetyl)octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION
Authors:Dougan, D.R, Mol, C.D, Snell, G.P.
Deposit date:2013-06-28
Release date:2013-08-28
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design, stereoselective synthesis, and biological evaluation of novel tri-cyclic compounds as inhibitor of apoptosis proteins (IAP) antagonists.
Bioorg.Med.Chem., 21, 2013
3TDC
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BU of 3tdc by Molmil
Crystal Structure of Human Acetyl-CoA carboxylase 2
Descriptor: 1-[3-({4-[(5S)-3,3-dimethyl-1-oxo-2-oxa-7-azaspiro[4.5]dec-7-yl]piperidin-1-yl}carbonyl)-1-benzothiophen-2-yl]-3-ethylurea, Acetyl-CoA carboxylase 2 variant
Authors:Dougan, D.R, Mol, C.D.
Deposit date:2011-08-10
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Design, synthesis, and structure-activity relationships of spirolactones bearing 2-ureidobenzothiophene as acetyl-CoA carboxylases inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011

 

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