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4OK5
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BU of 4ok5 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 9 [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
2KTP
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BU of 2ktp by Molmil
Structure of the 1,N2-ethenodeoxyguanosine lesion opposite a one-base deletion in duplex DNA
Descriptor: DNA (5'-D(*CP*GP*CP*AP*TP*(GNE)P*GP*AP*AP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*TP*TP*CP*AP*TP*GP*CP*G)-3')
Authors:Shanmugam, G, Kozekov, I.D, Guengerich, P.F, Rizzo, C.J, Stone, M.P.
Deposit date:2010-02-05
Release date:2010-03-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the 1,N(2)-etheno-2'-deoxyguanosine lesion in the 3'-G(epsilon dG)T-5' sequence opposite a one-base deletion.
Biochemistry, 49, 2010
4FA1
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BU of 4fa1 by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 130 Days.
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-21
Release date:2013-03-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
1C86
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BU of 1c86 by Molmil
CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B (R47V,D48N) COMPLEXED WITH 2-(OXALYL-AMINO-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID
Descriptor: 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID, PROTEIN (PROTEIN-TYROSINE PHOSPHATASE 1B)
Authors:Iversen, L.F, Andersen, H.S, Mortensen, S.B, Moller, N.P.
Deposit date:2000-04-16
Release date:2000-05-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-based design of a low molecular weight, nonphosphorus, nonpeptide, and highly selective inhibitor of protein-tyrosine phosphatase 1B.
J.Biol.Chem., 275, 2000
5OUK
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BU of 5ouk by Molmil
Crystal structure of human AKR1B1 complexed with NADP+ and compound 41
Descriptor: 2-[9-fluoranyl-5-(4-methoxyphenyl)-3-methyl-1-oxidanylidene-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Metwally, K, Podjarny, A.
Deposit date:2017-08-24
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (0.959 Å)
Cite:Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase.
Eur J Med Chem, 152, 2018
2HKB
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BU of 2hkb by Molmil
NMR Structure of the B-DNA Dodecamer CTCGGCGCCATC
Descriptor: 5'-D(*CP*TP*CP*GP*GP*CP*GP*CP*CP*AP*TP*C)-3', 5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3'
Authors:Wang, F, DeMuro, N.E, Elmquist, C.E, Stover, J.S, Rizzo, C.J, Stone, M.P.
Deposit date:2006-07-03
Release date:2006-10-03
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Base-displaced intercalated structure of the food mutagen 2-amino-3-methylimidazo[4,5-f]quinoline in the recognition sequence of the NarI restriction enzyme, a hotspot for -2 bp deletions.
J.Am.Chem.Soc., 128, 2006
4FA4
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BU of 4fa4 by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 10 Days
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-21
Release date:2013-03-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4OJQ
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BU of 4ojq by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Fragment 1 [(5-bromo-1H-indol-3-yl)acetic acid]
Descriptor: (5-bromo-1H-indol-3-yl)acetic acid, CALCIUM ION, Serine protease NS3
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
4FA5
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BU of 4fa5 by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 20 Days
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-21
Release date:2013-03-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3RLM
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BU of 3rlm by Molmil
Structure of the W199F MauG/pre-Methylamine Dehydrogenase complex after treatment with hydrogen peroxide
Descriptor: ACETATE ION, CALCIUM ION, HEME C, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2011-04-19
Release date:2011-10-05
Last modified:2011-10-26
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Mutagenesis of tryptophan199 suggests that hopping is required for MauG-dependent tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
4FA9
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BU of 4fa9 by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 30 Days
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-21
Release date:2013-03-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4KRS
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BU of 4krs by Molmil
Tankyrase-1 complexed with small molecule inhibitor
Descriptor: 4-tert-butyl-N-(5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)benzamide, SULFATE ION, Tankyrase-1, ...
Authors:Stams, T, Kirby, C.
Deposit date:2013-05-17
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure-Efficiency Relationship of [1,2,4]Triazol-3-ylamines as Novel Nicotinamide Isosteres that Inhibit Tankyrases.
J.Med.Chem., 56, 2013
3SYM
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BU of 3sym by Molmil
Glycogen Phosphorylase b in complex with 3 -C-(hydroxymethyl)-beta-D-glucopyranonucleoside of 5-fluorouracil
Descriptor: 5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucopyranosyl]pyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form
Authors:Skamnaki, V.T, Katsandi, A.L, Kontou, M, Leonidas, D.D.
Deposit date:2011-07-18
Release date:2012-02-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:3'-Axial CH(2) OH Substitution on Glucopyranose does not Increase Glycogen Phosphorylase Inhibitory Potency. QM/MM-PBSA Calculations Suggest Why.
Chem.Biol.Drug Des., 79, 2012
4DGY
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BU of 4dgy by Molmil
Structure of the Hepatitis C virus envelope glycoprotein E2 antigenic region 412-423 bound to the broadly neutralizing antibody HCV1, C2 form
Descriptor: CHLORIDE ION, E2 peptide, GLYCEROL, ...
Authors:Kong, L, Wilson, I.A, Law, M.
Deposit date:2012-01-27
Release date:2012-05-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Structural basis of hepatitis C virus neutralization by broadly neutralizing antibody HCV1.
Proc.Natl.Acad.Sci.USA, 109, 2012
3N5U
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BU of 3n5u by Molmil
Crystal structure of an Rb C-terminal peptide bound to the catalytic subunit of PP1
Descriptor: CHLORIDE ION, MANGANESE (II) ION, Retinoblastoma-associated protein, ...
Authors:Hirschi, A.M, Cecchini, M, Steinhardt, R.C, Dick, F.A, Rubin, S.M.
Deposit date:2010-05-25
Release date:2010-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:An overlapping kinase and phosphatase docking site regulates activity of the retinoblastoma protein.
Nat.Struct.Mol.Biol., 17, 2010
1Y9H
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BU of 1y9h by Molmil
Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement
Descriptor: 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, 5'-D(*CP*CP*AP*TP*(5CM)P*(BPG)P*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3'
Authors:Zhang, N, Lin, C, Huang, X, Kolbanovskiy, A, Hingerty, B.E, Amin, S, Broyde, S, Geacintov, N.E, Patel, D.J.
Deposit date:2004-12-15
Release date:2005-03-22
Last modified:2024-04-24
Method:SOLUTION NMR
Cite:Methylation of cytosine at C5 in a CpG sequence context causes a conformational switch of a benzo[a]pyrene diol epoxide-N2-guanine adduct in DNA from a minor groove alignment to intercalation with base displacement.
J.Mol.Biol., 346, 2005
4OKS
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BU of 4oks by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 19 [[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-22
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
2I0E
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BU of 2i0e by Molmil
Structure of catalytic domain of human protein kinase C beta II complexed with a bisindolylmaleimide inhibitor
Descriptor: 3-{1-[3-(DIMETHYLAMINO)PROPYL]-2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, Protein Kinase C-beta II
Authors:Grodsky, N.B, Love, R.L.
Deposit date:2006-08-10
Release date:2006-11-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of the Catalytic Domain of Human Protein Kinase C beta II Complexed with a Bisindolylmaleimide Inhibitor
Biochemistry, 45, 2006
4F50
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BU of 4f50 by Molmil
Y-family DNA polymerase chimera Dbh-Dbh-Dpo4
Descriptor: CALCIUM ION, DNA (5'-D(*CP*CP*GP*CP*CP*T*GP*GP*CP*TP*TP*CP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*AP*AP*GP*CP*CP*GP*GP*C)-3'), ...
Authors:Pata, J.D, Wilson, R.C.
Deposit date:2012-05-11
Release date:2013-01-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.215 Å)
Cite:Y-family polymerase conformation is a major determinant of fidelity and translesion specificity.
Structure, 21, 2013
4FB1
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BU of 4fb1 by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 60 Days
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, HEME C, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-22
Release date:2013-03-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4F6M
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BU of 4f6m by Molmil
Crystal structure of Kaiso zinc finger DNA binding domain in complex with Kaiso binding site DNA
Descriptor: DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), Transcriptional regulator Kaiso, ...
Authors:Buck-Koehntop, B.A, Stanfield, R.L, Ekiert, D.C, Martinez-Yamout, M.A, Dyson, H.J, Wilson, I.A, Wright, P.E.
Deposit date:2012-05-15
Release date:2012-09-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for recognition of methylated and specific DNA sequences by the zinc finger protein Kaiso.
Proc.Natl.Acad.Sci.USA, 109, 2012
4FAV
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BU of 4fav by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 50 Days
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-22
Release date:2013-03-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
1LVZ
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BU of 1lvz by Molmil
METARHODOPSIN II BOUND STRUCTURE OF C-TERMINAL PEPTIDE OF ALPHA-SUBUNIT OF TRANSDUCIN
Descriptor: Guanine nucleotide-binding protein G(T), alpha-1 subunit
Authors:Koenig, B.W, Kontaxis, G, Mitchell, D.C, Louis, J.M, Litman, B.J, Bax, A.
Deposit date:2002-05-30
Release date:2002-09-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and orientation of a G protein fragment in the receptor bound state from residual dipolar couplings.
J.Mol.Biol., 322, 2002
4OFB
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BU of 4ofb by Molmil
Crystal structure of human BRCA1 BRCT in complex with nonphosphopeptide inhibitor
Descriptor: Breast cancer type 1 susceptibility protein, nonphosphopeptide inhibitor
Authors:Sun, L, Edwards, R.A, Glover, J.N.M.
Deposit date:2014-01-14
Release date:2015-04-15
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Peptide Library Approach to Uncover Phosphomimetic Inhibitors of the BRCA1 C-Terminal Domain.
Acs Chem.Biol., 10, 2015
4FAN
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BU of 4fan by Molmil
Crystal Structure of WT MauG in Complex with Pre-Methylamine Dehydrogenase Aged 40 Days
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Yukl, E.T, Wilmot, C.M.
Deposit date:2012-05-22
Release date:2013-03-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Diradical intermediate within the context of tryptophan tryptophylquinone biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013

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数据于2024-07-17公开中

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