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3FUH
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BU of 3fuh by Molmil
Leukotriene A4 hydrolase in complex with fragment 5-hydroxyindole and bestatin
分子名称: 1H-indol-5-ol, 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-14
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FTX
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BU of 3ftx by Molmil
Leukotriene A4 hydrolase in complex with dihydroresveratrol and bestatin
分子名称: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol, ACETATE ION, ...
著者Davies, D.R.
登録日2009-01-13
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUI
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BU of 3fui by Molmil
Leukotriene A4 hydrolase in complex with N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline
分子名称: IMIDAZOLE, Leukotriene A-4 hydrolase, N-benzyl-4-[(2R)-pyrrolidin-2-ylmethoxy]aniline, ...
著者Davies, D.R.
登録日2009-01-14
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FU5
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BU of 3fu5 by Molmil
Leukotriene A4 hydrolase in complex with (5-thiophen-2-ylthiophen-2-yl)methylamine
分子名称: 1-(2,2'-bithiophen-5-yl)methanamine, ACETATE ION, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-14
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUJ
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BU of 3fuj by Molmil
Leukotriene A4 hydrolase in complex with 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole
分子名称: 5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole, ACETATE ION, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-14
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FTV
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BU of 3ftv by Molmil
Leukotriene A4 hydrolase in complex with fragment N-(pyridin-3-ylmethyl)aniline
分子名称: IMIDAZOLE, Leukotriene A-4 hydrolase, N-(pyridin-3-ylmethyl)aniline, ...
著者Davies, D.R.
登録日2009-01-13
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
3FUM
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BU of 3fum by Molmil
Leukotriene A4 hydrolase in complex with (R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
分子名称: (R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol, ACETATE ION, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-14
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
2B9S
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BU of 2b9s by Molmil
Crystal Structure of heterodimeric L. donovani topoisomerase I-vanadate-DNA complex
分子名称: 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*TP*TP*TP*TP*TP*CP*TP*AP*AP*GP*TP*CP*TP*TP*TP*TP*T)-3', 5'-D(*AP*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', ...
著者Davies, D.R, Hol, W.G.J.
登録日2005-10-12
公開日2006-01-17
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献The Structure of the Transition State of the Heterodimeric Topoisomerase I of Leishmania donovani as a Vanadate Complex with Nicked DNA.
J.Mol.Biol., 357, 2006
1B7E
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BU of 1b7e by Molmil
TRANSPOSASE INHIBITOR
分子名称: 2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride, PROTEIN (TRANSPOSASE INHIBITOR PROTEIN FROM TN5)
著者Davies, D.R, Braam, L.M, Reznikoff, W.S, Rayment, I.
登録日1999-01-22
公開日1999-04-21
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The three-dimensional structure of a Tn5 transposase-related protein determined to 2.9A resolution.
J.Biol.Chem., 274, 1999
3F2C
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BU of 3f2c by Molmil
DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP and Mn
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DAP*DAP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DCP*DCP*DGP*DTP*DCP*DTP*DCP*DAP*DCP*DTP*DG)-3', 5'-D(*DCP*DAP*DGP*DTP*DGP*DAP*DGP*DAP*DCP*DGP*DGP*DGP*DCP*DAP*DAP*DCP*DC)-3', ...
著者Davies, D.R, Evans, R.J, Bullard, J.M, Christensen, J, Green, L.S, Guiles, J.W, Ribble, W.K, Janjic, N, Jarvis, T.C.
登録日2008-10-29
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of PolC reveals unique DNA binding and fidelity determinants.
Proc.Natl.Acad.Sci.USA, 105, 2008
3F2D
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BU of 3f2d by Molmil
DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP, Mn and Zn
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DAP*DAP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DCP*DCP*DGP*DTP*DCP*DTP*DCP*DAP*DCP*DTP*DG)-3', 5'-D(*DCP*DAP*DGP*DTP*DGP*DAP*DGP*DAP*DCP*DGP*DGP*DGP*DCP*DAP*DAP*DCP*DC)-3', ...
著者Davies, D.R, Evans, R.J, Bullard, J.M, Christensen, J, Green, L.S, Guiles, J.W, Ribble, W.K, Janjic, N, Jarvis, T.C.
登録日2008-10-29
公開日2009-01-20
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structure of PolC reveals unique DNA binding and fidelity determinants.
Proc.Natl.Acad.Sci.USA, 105, 2008
6Q13
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BU of 6q13 by Molmil
CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ...
著者Davies, D.R, Dranow, D.M.
登録日2019-08-02
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
5W8L
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BU of 5w8l by Molmil
Crystal Structure of Lactate Dehydrogenase A in complex with inhibitor compound 59 and NADH
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-{3-([1,1'-biphenyl]-3-yl)-5-(cyclopropylmethyl)-4-[(4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid, ...
著者Davies, D.R, Dranow, D.M.
登録日2017-06-21
公開日2018-01-17
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery and Optimization of Potent, Cell-Active Pyrazole-Based Inhibitors of Lactate Dehydrogenase (LDH).
J. Med. Chem., 60, 2017
4ZBN
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BU of 4zbn by Molmil
Non-helical DNA Triplex Forms a Unique Aptamer Scaffold for High Affinity Recognition of Nerve Growth Factor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-nerve growth factor, DNA (28-MER)
著者Davies, D.R, Edwards, T.E.
登録日2015-04-15
公開日2015-06-10
最終更新日2015-07-15
実験手法X-RAY DIFFRACTION (2.447 Å)
主引用文献Non-helical DNA Triplex Forms a Unique Aptamer Scaffold for High Affinity Recognition of Nerve Growth Factor.
Structure, 23, 2015
4WXR
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BU of 4wxr by Molmil
X-ray crystal structure of NS3 Helicase from HCV with a bound inhibitor at 2.42 A resolution
分子名称: NS3, {6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1H-indol-3-yl}acetic acid
著者Davies, D.R, Kim, H, Lorimer, D.
登録日2014-11-14
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献crystal structure of NS3 Helicase from HCV with a bound inhibitor
TO BE PUBLISHED
4WXP
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BU of 4wxp by Molmil
X-ray crystal structure of NS3 Helicase from HCV with a bound fragment inhibitor at 2.08 A resolution
分子名称: (1-methyl-1H-indol-3-yl)acetic acid, CHLORIDE ION, NS3-4 protease, ...
著者Davies, D.R.
登録日2014-11-14
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献crystal structure of NS3 Helicase from HCV with a bound fragment inhibitor
TO BE PUBLISHED
1MUH
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BU of 1muh by Molmil
CRYSTAL STRUCTURE OF TN5 TRANSPOSASE COMPLEXED WITH TRANSPOSON END DNA
分子名称: DNA NON-TRANSFERRED STRAND, DNA TRANSFERRED STRAND, MAGNESIUM ION, ...
著者Thoden, J.B, Holden, H.M, Davies, D.R, Goryshin, I.Y, Reznikoff, W.S, Rayment, I.
登録日2002-09-23
公開日2002-09-27
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Three-dimensional structure of the Tn5 synaptic complex transposition intermediate.
Science, 289, 2000
3FUL
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BU of 3ful by Molmil
Leukotriene A4 hydrolase in complex with pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
分子名称: IMIDAZOLE, Leukotriene A-4 hydrolase, YTTERBIUM (III) ION, ...
著者Davies, D.R.
登録日2009-01-14
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3FTZ
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BU of 3ftz by Molmil
Leukotriene A4 hydrolase in complex with fragment 2-(pyridin-3-ylmethoxy)aniline
分子名称: 2-(pyridin-3-ylmethoxy)aniline, ACETATE ION, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-13
公開日2010-01-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.
J.Med.Chem., 53, 2010
3F2B
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BU of 3f2b by Molmil
DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP, Mg and Zn
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*DAP*DTP*DAP*DAP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DCP*DCP*DGP*DTP*DCP*DTP*DCP*DAP*DCP*DTP*DG)-3', 5'-D(*DCP*DAP*DGP*DTP*DGP*DAP*DGP*DAP*DCP*DGP*DGP*DGP*DCP*DAP*DAP*DCP*DC)-3', ...
著者Davies, D.R, Evans, R.J, Bullard, J.M, Christensen, J, Green, L.S, Guiles, J.W, Ribble, W.K, Janjic, N, Jarvis, T.C.
登録日2008-10-29
公開日2009-01-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Structure of PolC reveals unique DNA binding and fidelity determinants.
Proc.Natl.Acad.Sci.USA, 105, 2008
3OCT
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BU of 3oct by Molmil
Crystal structure of bruton's tyrosine kinase mutant V555R in complex with dasatinib
分子名称: N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE, Tyrosine-protein kinase BTK
著者Davies, D.R, Staker, B.L.
登録日2010-08-10
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A novel, specific Btk inhibitor antagonizes BCR and Fc[gamma]R signaling and suppresses inflammatory arthritis
To be Published
3OCS
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BU of 3ocs by Molmil
Crystal structure of bruton's tyrosine kinase in complex with inhibitor CGI1746
分子名称: 4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide, BETA-MERCAPTOETHANOL, SULFATE ION, ...
著者Davies, D.R, Gallion, S.L, Staker, B.L.
登録日2010-08-10
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel, specific Btk inhibitor antagonizes BCR and Fc[gamma]R signaling and suppresses inflammatory arthritis
To be Published
1Q5W
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BU of 1q5w by Molmil
Ubiquitin Recognition by Npl4 Zinc-Fingers
分子名称: Ubiquitin, ZINC ION, homolog of yeast nuclear protein localization 4
著者Alam, S.L, Sun, J, Payne, M, Welch, B.D, Blake, B.K, Davis, D.R, Meyer, H.H, Emr, S.D, Sundquist, W.I.
登録日2003-08-11
公開日2004-03-30
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Ubiquitin interactions of NZF zinc fingers.
Embo J., 23, 2004
1KPQ
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BU of 1kpq by Molmil
Structure of the Tsg101 UEV domain
分子名称: Tumor susceptibility gene 101 protein
著者Pornillos, O, Alam, S.L, Rich, R.L, Myszka, D.G, Davis, D.R, Sundquist, W.I.
登録日2002-01-02
公開日2002-05-25
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure and functional interactions of the Tsg101 UEV domain.
EMBO J., 21, 2002
1M4P
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BU of 1m4p by Molmil
Structure of the Tsg101 UEV domain in complex with a HIV-1 PTAP "late domain" peptide, DYANA Ensemble
分子名称: Gag Polyprotein, Tumor Susceptibility gene 101 protein
著者Pornillos, O, Alam, S.L, Davis, D.R, Sundquist, W.I.
登録日2002-07-03
公開日2002-11-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of the Tsg101 UEV domain in complex with the PTAP motif of the HIV-1 p6 protein
Nat.Struct.Biol., 9, 2002

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