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PDB: 45 件
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
7AII
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BU of 7aii by Molmil
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
7AIG
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BU of 7aig by Molmil
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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BU of 7aij by Molmil
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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BU of 7aif by Molmil
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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BU of 7aid by Molmil
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
7RTC
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BU of 7rtc by Molmil
Crystal structure of the ARM domain from Drosophila SARM1 in complex with NaMN
分子名称: NAD(+) hydrolase sarm1, NICOTINATE MONONUCLEOTIDE
著者Gu, W, Ve, T, Kobe, B.
登録日2021-08-13
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Nicotinic acid mononucleotide is an allosteric SARM1 inhibitor promoting axonal protection.
Exp Neurol, 345, 2021
7LCY
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BU of 7lcy by Molmil
Crystal structure of the ligand-free ARM domain from Drosophila SARM1
分子名称: Isoform B of NAD(+) hydrolase sarm1
著者Gu, W, Nanson, J.D, Luo, Z, McGuinness, H.Y, Manik, M.K, Jia, X, Ve, T, Kobe, B.
登録日2021-01-12
公開日2021-03-10
最終更新日2021-04-21
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Neuron, 109, 2021
7LCZ
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BU of 7lcz by Molmil
Crystal structure of the ARM domain from Drosophila SARM1 in complex with NMN
分子名称: 1,2-ETHANEDIOL, BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, Isoform B of NAD(+) hydrolase sarm1, ...
著者Gu, W, Nanson, J.D, Luo, Z, Jia, X, Manik, M.K, Ve, T, Kobe, B.
登録日2021-01-12
公開日2021-03-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration.
Neuron, 109, 2021
7M6K
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BU of 7m6k by Molmil
Crystal structure of the ARM domain from Drosophila SARM1 in complex with VMN
分子名称: 3-({[(4-nitrophenyl)carbamoyl]amino}methyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-1-ium, Isoform B of NAD(+) hydrolase sarm1, SODIUM ION
著者Gu, W, Luo, Z, Kobe, B.
登録日2021-03-25
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Neurotoxin-mediated potent activation of the axon degeneration regulator SARM1.
Elife, 10, 2021
3NX2
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BU of 3nx2 by Molmil
Enterobacter sp. Px6-4 Ferulic Acid Decarboxylase in complex with substrate analogues
分子名称: 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, Ferulic acid decarboxylase
著者Gu, W, Yang, J.K, Lou, Z.Y, Meng, Z.H, Zhang, K.-Q.
登録日2010-07-12
公開日2011-02-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Structural Basis of Enzymatic Activity for the Ferulic Acid Decarboxylase (FADase) from Enterobacter sp. Px6-4
Plos One, 6, 2011
3NX1
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BU of 3nx1 by Molmil
Crystal structure of Enterobacter sp. Px6-4 Ferulic Acid Decarboxylase
分子名称: Ferulic acid decarboxylase
著者Gu, W, Yang, J.K, Lou, Z.Y, Meng, Z.H, Zhang, K.-Q.
登録日2010-07-12
公開日2011-02-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Basis of Enzymatic Activity for the Ferulic Acid Decarboxylase (FADase) from Enterobacter sp. Px6-4
Plos One, 6, 2011
7KIL
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BU of 7kil by Molmil
Crystal structure of the mouse lipin-1 M-Lip domain with zinc
分子名称: CHLORIDE ION, Isoform 2 of Phosphatidate phosphatase LPIN1, ZINC ION
著者Gu, W, Airola, M.V.
登録日2020-10-23
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.898 Å)
主引用文献The middle lipin domain adopts a membrane-binding dimeric protein fold.
Nat Commun, 12, 2021
7KIH
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BU of 7kih by Molmil
Crystal structure of the mouse lipin-1 M-Lip domain
分子名称: Isoform 2 of Phosphatidate phosphatase LPIN1
著者Gu, W, Airola, M.V.
登録日2020-10-23
公開日2021-07-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.467 Å)
主引用文献The middle lipin domain adopts a membrane-binding dimeric protein fold.
Nat Commun, 12, 2021
7SZL
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BU of 7szl by Molmil
Crystal structure of the Toll/interleukin-1 receptor domain of human IL-1R10 (IL-1RAPL2)
分子名称: X-linked interleukin-1 receptor accessory protein-like 2
著者Nimma, S, Gu, W, Manik, M.K, Ve, T, Nanson, J.D, Kobe, B.
登録日2021-11-28
公開日2022-02-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the Toll/interleukin-1 receptor (TIR) domain of IL-1R10 provides structural insights into TIR domain signalling.
Febs Lett., 596, 2022
7OTX
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BU of 7otx by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-257
分子名称: (S)-2-((3-(6-amino-9H-purin-9-yl)propyl)amino)-3-phosphonopropanoic acid, 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Martinez, S.E, Singh, A.K, Gu, W, Das, K.
登録日2021-06-10
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7OT6
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HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND inhibitor RMC-282
分子名称: (R)-N-(1-(6-amino-9H-purin-9-yl)propan-2-yl)-N-(2-phosphonoethyl)glycine, DNA (5'-D(*AP*TP*GP*GP*AP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), DNA (5'-D(*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)*CP*GP*CP*CP*(DDG))-3'), ...
著者Martinez, S.E, Singh, A.K, Gu, W, Das, K.
登録日2021-06-09
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7OUT
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BU of 7out by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-264
分子名称: (S)-2-(3-(6-amino-9H-purin-9-yl)propoxy)-3-phosphonopropanoic acid, 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Martinez, S.E, Singh, A.K, Gu, W, Das, K.
登録日2021-06-13
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7OTK
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HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-233
分子名称: (2~{R})-2-[2-(6-aminopurin-9-yl)ethylamino]-3-phosphono-propanoic acid, 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(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Martinez, S.E, Singh, A.K, Gu, W, Das, K.
登録日2021-06-10
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7OTA
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HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-230
分子名称: ((2-(6-amino-9H-purin-9-yl)ethyl)-L-seryl)phosphoramidic acid, 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(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Martinez, S.E, Singh, A.K, Gu, W, Das, K.
登録日2021-06-09
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7OTN
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HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-247
分子名称: (S)-2-((2-(6-amino-9H-purin-9-yl)ethyl)amino)-3-phosphonopropanoic acid, 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Martinez, S.E, Singh, A.K, Gu, W, Das, K.
登録日2021-06-10
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
7OTZ
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BU of 7otz by Molmil
HIV-1 REVERSE TRANSCRIPTASE COMPLEX WITH DNA AND INHIBITOR RMC-259
分子名称: (S)-2-(2-(6-amino-9H-purin-9-yl)ethoxy)-3-phosphonopropanoic acid, 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Martinez, S.E, Singh, A.K, Gu, W, Das, K.
登録日2021-06-10
公開日2021-12-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Exploring the dNTP -binding site of HIV-1 reverse transcriptase for inhibitor design.
Eur.J.Med.Chem., 225, 2021
1X81
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Farnesyl transferase structure of Jansen compound
分子名称: 6-[(S)-AMINO(4-CHLOROPHENYL)(1-METHYL-1H-IMIDAZOL-5-YL)METHYL]-4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-2(1H)-ONE, Protein farnesyltransferase beta subunit, Protein farnesyltransferase/geranylgeranyltransferase type I alpha subunit, ...
著者Li, Q, Claiborne, A, Li, T, Hasvold, L, Stoll, V.S, Muchmore, S, Jakob, C.G, Gu, W, Cohen, J, Hutchins, C, Frost, D, Rosenberg, S.H, Sham, H.L.
登録日2004-08-16
公開日2004-12-21
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Design, synthesis, and activity of 4-quinolone and pyridone compounds as nonthiol-containing farnesyltransferase inhibitors.
Bioorg.Med.Chem.Lett., 14, 2004
1NB8
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Structure of the catalytic domain of USP7 (HAUSP)
分子名称: Ubiquitin carboxyl-terminal hydrolase 7
著者Hu, M, Li, P, Li, M, Li, W, Yao, T, Wu, J.-W, Gu, W, Cohen, R.E, Shi, Y.
登録日2002-12-02
公開日2003-01-07
最終更新日2018-04-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a UBP-family deubiquitinating enzyme in isolation and in complex with ubiquitin aldehyde
Cell(Cambridge,Mass.), 111, 2002
1NBF
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Crystal structure of a UBP-family deubiquitinating enzyme in isolation and in complex with ubiquitin aldehyde
分子名称: Ubiquitin aldehyde, Ubiquitin carboxyl-terminal hydrolase 7
著者Hu, M, Li, P, Li, M, Li, W, Yao, T, Wu, J.-W, Gu, W, Cohen, R.E, Shi, Y.
登録日2002-12-02
公開日2003-01-07
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of a UBP-family deubiquitinating enzyme in isolation and in complex with ubiquitin aldehyde
Cell(Cambridge,Mass.), 111, 2002

 

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