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4WUY
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Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor
分子名称: 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, GLYCEROL, N-lysine methyltransferase SMYD2, ...
著者Nguyen, H, Allali-Hassani, A, Antonysamy, S, Chang, S, Chen, L.H, Curtis, C, Emtage, S, Fan, L, Gheyi, T, Li, F, Liu, S, Martin, J.R, Mendel, D, Olsen, J.B, Pelletier, L, Shatseva, T, Wu, S, Zhang, F.F, Arrowsmith, C.H, Brown, P.J, Campbell, R.M, Garcia, B.A, Barsyte-Lovejoy, D, Mader, M, Vedadi, M.
登録日2014-11-04
公開日2015-04-08
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2.
J.Biol.Chem., 290, 2015
7EXK
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An AA9 LPMO of Ceriporiopsis subvermispora
分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nguyen, H, Kondo, K, Nagata, T, Katahira, M, Mikami, B.
登録日2021-05-27
公開日2022-05-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Functional and Structural Characterizations of Lytic Polysaccharide Monooxygenase, Which Cooperates Synergistically with Cellulases, from Ceriporiopsis subvermispora.
Acs Sustain Chem Eng, 10, 2022
8TBX
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BU of 8tbx by Molmil
Crystal structure of human DDX1 helicase in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX1, MAGNESIUM ION, ...
著者Zeng, H, Dong, A, Li, Y, Yen, H, Hejazi, Z, Seitova, A, Arrowsmith, C.H, Edwards, A.M, Halabelian, L.
登録日2023-06-29
公開日2023-07-26
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Crystal structure of human DDX1 helicase in complex with ADP
To be published
7AIG
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HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-GLUTAMATE TENOFOVIR
分子名称: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
著者Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
登録日2020-09-27
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7AIJ
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HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-METHIONINE TENOFOVIR
分子名称: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
著者Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
登録日2020-09-27
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7AIF
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HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-GLUTAMATE TENOFOVIR WITH BOUND MANGANESE
分子名称: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
著者Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
登録日2020-09-27
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7AID
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HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND D-ASPARTATE TENOFOVIR
分子名称: D-Aspartate Tenofovir, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
著者Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
登録日2020-09-26
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7AII
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HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND L-METHIONINE TENOFOVIR WITH BOUND MANGANESE
分子名称: DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(P*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), Gag-Pol polyprotein, ...
著者Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
登録日2020-09-27
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
7AHX
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BU of 7ahx by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND D-ASPARTATE TENOFOVIR WITH BOUND MANGANESE
分子名称: D-Aspartate Tenofovir, DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), DNA (5'-D(*TP*GP*GP*TP*CP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*G)-3'), ...
著者Gu, W, Martinez, S.E, Nguyen, H, Xu, H, Herdewijn, P, de Jonghe, S, Das, K.
登録日2020-09-25
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.73 Å)
主引用文献Tenofovir-Amino Acid Conjugates Act as Polymerase Substrates-Implications for Avoiding Cellular Phosphorylation in the Discovery of Nucleotide Analogues.
J.Med.Chem., 64, 2021
2VCO
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BU of 2vco by Molmil
Crystal structure of the fimbrial adhesin FimH in complex with its high-mannose epitope
分子名称: NICKEL (II) ION, PROTEIN FIMH, SULFATE ION, ...
著者Wellens, A, Garofalo, C, Nguyen, H, Wyns, L, De Greve, H, Hultgren, S.J, Bouckaert, J.
登録日2007-09-26
公開日2008-05-13
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Intervening with Urinary Tract Infections Using Anti-Adhesives Based on the Crystal Structure of the Fimh-Oligomannose-3 Complex.
Plos One, 3, 2008
3DA6
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BU of 3da6 by Molmil
Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine
分子名称: Mitogen-activated protein kinase 10, N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine
著者Cee, V.J, Cheng, A.C, Romero, K, Bellon, S, Mohr, C, Whittington, D.A, Bready, J, Caenepeel, S, Coxon, A, Deak, H.L, Hodous, B.L, Kim, J.L, Lin, J, Nguyen, H, Olivieri, P.R, Patel, V.F, Wang, L, Hughes, P, Geuns-Meyer, S.
登録日2008-05-28
公開日2009-01-06
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase
Bioorg.Med.Chem.Lett., 19, 2009
2G15
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BU of 2g15 by Molmil
Structural Characterization of autoinhibited c-Met kinase
分子名称: activated met oncogene
著者Wang, W, Marimuthu, A, Tsai, J, Kumar, A, Krupka, H.I, Zhang, C, Powell, B, Suzuki, Y, Nguyen, H, Tabrizizad, M, Luu, C, West, B.L.
登録日2006-02-13
公開日2006-03-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural characterization of autoinhibited c-Met kinase produced by coexpression in bacteria with phosphatase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
8VOI
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HADDOCK models of active human alphaM I-domain bound to the the C-terminal domain of the cytokine pleiotrophin
分子名称: Integrin alpha-M, MAGNESIUM ION, Pleiotrophin
著者Wang, X, Nguyen, H.
登録日2024-01-15
公開日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure of alphaM I-domain of integrin Mac-1 in complex with the Cytokine Pleiotrophin
To Be Published
8VOH
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BU of 8voh by Molmil
HADDOCK models of human alphaM I-domain bound to the the N-terminal domain of the cytokine pleiotrophin
分子名称: Integrin alpha-M, Pleiotrophin
著者Wang, X, Nguyen, H.
登録日2024-01-15
公開日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure of alphaM I-domain of integrin Mac-1 in complex with the Cytokine Pleiotrophin
To Be Published
1ZCN
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BU of 1zcn by Molmil
human Pin1 Ng mutant
分子名称: PENTAETHYLENE GLYCOL, PHOSPHATE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Jager, M, Zhang, Y, Nguyen, H, Dendel, G, Bowman, M.E, Gruebele, M, Noel, J.P, Kelly, J.W.
登録日2005-04-12
公開日2006-06-20
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-function-folding relationship in a WW domain.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1ZDU
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The Crystal Structure of Human Liver Receptor Homologue-1
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Nuclear receptor coactivator 2, Orphan nuclear receptor NR5A2, ...
著者Wang, W, Zhang, C, Marimuthu, A, Krupka, H.I, Tabrizizad, M, Shelloe, R, Mehra, U, Eng, K, Nguyen, H, Settachatgul, C, Powell, B, Milburn, M.V, West, B.L.
登録日2005-04-14
公開日2005-05-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The crystal structures of human steroidogenic factor-1 and liver receptor homologue-1
Proc.Natl.Acad.Sci.USA, 102, 2005
1ZDT
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The Crystal Structure of Human Steroidogenic Factor-1
分子名称: DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, Steroidogenic factor 1
著者Wang, W, Zhang, C, Marimuthu, A, Krupka, H.I, Tabrizizad, M, Shelloe, R, Mehra, U, Eng, K, Nguyen, H, Settachatgul, C, Powell, B, Milburn, M.V, West, B.L.
登録日2005-04-14
公開日2005-05-24
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The crystal structures of human steroidogenic factor-1 and liver receptor homologue-1
Proc.Natl.Acad.Sci.USA, 102, 2005
3L8E
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Crystal Structure of apo form of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli
分子名称: ACETIC ACID, D,D-heptose 1,7-bisphosphate phosphatase, ZINC ION
著者Nguyen, H, Peisach, E, Allen, K.N.
登録日2009-12-31
公開日2010-02-02
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) .
Biochemistry, 49, 2010
3L8F
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Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli complexed with magnesium and phosphate
分子名称: D,D-heptose 1,7-bisphosphate phosphatase, MAGNESIUM ION, PHOSPHATE ION, ...
著者Nguyen, H, Peisach, E, Allen, K.N.
登録日2009-12-31
公開日2010-02-02
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) .
Biochemistry, 49, 2010
3L8G
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Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from E. Coli complexed with D-glycero-D-manno-heptose 1 ,7-bisphosphate
分子名称: 1,7-di-O-phosphono-L-glycero-beta-D-manno-heptopyranose, D,D-heptose 1,7-bisphosphate phosphatase, MAGNESIUM ION, ...
著者Nguyen, H, Peisach, E, Allen, K.N.
登録日2009-12-31
公開日2010-02-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) .
Biochemistry, 49, 2010
3L8H
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Crystal Structure of D,D-heptose 1.7-bisphosphate phosphatase from B. bronchiseptica complexed with magnesium and phosphate
分子名称: FORMIC ACID, MAGNESIUM ION, PHOSPHATE ION, ...
著者Nguyen, H, Peisach, E, Allen, K.N.
登録日2009-12-31
公開日2010-02-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Structural Determinants of Substrate Recognition in the HAD Superfamily Member d-glycero-d-manno-Heptose-1,7-bisphosphate Phosphatase (GmhB) .
Biochemistry, 49, 2010
3QE3
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Sheep liver sorbitol dehydrogenase
分子名称: ACETIC ACID, GLYCEROL, Sorbitol dehydrogenase, ...
著者Yennawar, N.H, Yennawar, H.P.
登録日2011-01-19
公開日2011-04-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献X-ray crystal structure and small-angle X-ray scattering of sheep liver sorbitol dehydrogenase.
Acta Crystallogr.,Sect.D, 67, 2011
6O81
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Electron cryo-microscopy of the eukaryotic translation initiation factor 2B bound to translation initiation factor 2 from Homo sapiens
分子名称: 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 3, ...
著者Nguyen, H, Kenner, L, Frost, A.
登録日2019-03-08
公開日2019-05-15
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献eIF2B-catalyzed nucleotide exchange and phosphoregulation by the integrated stress response.
Science, 364, 2019
8T55
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Co-crystal structure of the WD-repeat domain of human WDR91 in complex with MR46654
分子名称: 1,2-ETHANEDIOL, N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide, WD repeat-containing protein 91
著者Ahmad, H, Zeng, H, Dong, A, Li, Y, Yen, H, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Santhakumar, V, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
登録日2023-06-12
公開日2023-07-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
4XV3
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B-Raf Kinase V600E oncogenic mutant in complex with PLX7922
分子名称: N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf
著者Zhang, Y, Zhang, C.
登録日2015-01-26
公開日2015-10-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015

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