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2OPR
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BU of 2opr by Molmil
Crystal Structure of K101E Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X.
分子名称: ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, Reverse transcriptase/ribonuclease H, p51 RT
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Short, S.A, Chan, J.H, Kleim, J, Stammers, D.K.
登録日2007-01-30
公開日2007-05-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases.
J.Med.Chem., 50, 2007
2OPS
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BU of 2ops by Molmil
Crystal Structure of Y188C Mutant HIV-1 Reverse Transcriptase in Complex with GW420867X.
分子名称: ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ...
著者Ren, J, Nichols, C.E, Chamberlain, P.P, Weaver, K.L, Short, S.A, Chan, J.H, Kleim, J, Stammers, D.K.
登録日2007-01-30
公開日2007-05-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Relationship of Potency and Resilience to Drug Resistant Mutations for GW420867X Revealed by Crystal Structures of Inhibitor Complexes for Wild-Type, Leu100Ile, Lys101Glu, and Tyr188Cys Mutant HIV-1 Reverse Transcriptases.
J.Med.Chem., 50, 2007
4PZE
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BU of 4pze by Molmil
Crystal structure of (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 in complex with acetoacetyl-CoA
分子名称: 3-Hydroxyacyl-CoA dehydrogenase, ACETOACETYL-COENZYME A
著者Kim, J, Chang, J.H, Kim, K.J.
登録日2014-03-29
公開日2015-04-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure and biochemical properties of the (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 from Ralstonia eutropha
Biochem.Biophys.Res.Commun., 448, 2014
4PZC
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BU of 4pzc by Molmil
Crystal structure of (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 from Ralstonia eutropha
分子名称: 3-Hydroxyacyl-CoA dehydrogenase
著者Kim, J, Chang, J.H, Kim, K.J.
登録日2014-03-29
公開日2015-02-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure and biochemical properties of the (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 from Ralstonia eutropha
Biochem.Biophys.Res.Commun., 448, 2014
4PZD
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BU of 4pzd by Molmil
Crystal structure of (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 in complex with NAD+
分子名称: 3-Hydroxyacyl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Kim, J, Chang, J.H, Kim, K.J.
登録日2014-03-29
公開日2015-02-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal structure and biochemical properties of the (S)-3-hydroxybutyryl-CoA dehydrogenase PaaH1 from Ralstonia eutropha
Biochem.Biophys.Res.Commun., 448, 2014
1S28
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BU of 1s28 by Molmil
Crystal Structure of AvrPphF ORF1, the Chaperone for the Type III Effector AvrPphF ORF2 from P. syringae
分子名称: ORF1, SULFATE ION
著者Singer, A.U, Desveaux, D, Betts, L, Chang, J.H, Nimchuk, Z, Grant, S.R, Dangl, J.L, Sondek, J.
登録日2004-01-08
公開日2004-09-14
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structures of the Type III Effector Protein AvrPphF and Its Chaperone Reveal Residues Required for Plant Pathogenesis
Structure, 12, 2004
1S21
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BU of 1s21 by Molmil
Crystal Structure of AvrPphF ORF2, A Type III Effector from P. syringae
分子名称: ORF2
著者Singer, A.U, Desveaux, D, Betts, L, Chang, J.H, Nimchuk, Z, Grant, S.R, Dangl, J.K, Sondek, J.
登録日2004-01-07
公開日2004-09-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of the Type III Effector Protein AvrPphF and Its Chaperone Reveal Residues Required for Plant Pathogenesis
Structure, 12, 2004
4V3I
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BU of 4v3i by Molmil
Crystal Structure of TssL from Vibrio cholerae.
分子名称: GLYCEROL, VCA0115
著者Jeong, J.H, Kim, Y.G.
登録日2014-10-19
公開日2014-12-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Crystal structure of the bacterial type VI secretion system component TssL from Vibrio cholerae.
J. Microbiol., 53, 2015
1M2G
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BU of 1m2g by Molmil
Sir2 homologue-ADP ribose complex
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION
著者Chang, J, Cho, Y.
登録日2002-06-24
公開日2003-04-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for the NAD-dependent deacetylase mechanism of Sir2
J.BIOL.CHEM., 277, 2002
1M2J
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BU of 1m2j by Molmil
Sir2 homologue H80N mutant-ADP ribose complex
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION
著者Chang, J, Cho, Y.
登録日2002-06-24
公開日2003-04-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural basis for the NAD-dependent deacetylase mechanism of Sir2
J.BIOL.CHEM., 277, 2002
1M2H
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BU of 1m2h by Molmil
Sir2 homologue S24A mutant-ADP ribose complex
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION
著者Chang, J, Cho, Y.
登録日2002-06-24
公開日2003-04-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for the NAD-dependent deacetylase mechanism of Sir2
J.BIOL.CHEM., 277, 2002
1M2N
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BU of 1m2n by Molmil
Sir2 homologues (D102G/F159A/R170A) mutant-2'-O-acetyl ADP ribose complex
分子名称: 2'-O-ACETYL ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION
著者Chang, J, Cho, Y.
登録日2002-06-24
公開日2003-04-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for the NAD-dependent deacetylase mechanism of Sir2
J.BIOL.CHEM., 277, 2003
1M2K
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BU of 1m2k by Molmil
Sir2 homologue F159A mutant-ADP ribose complex
分子名称: ADENOSINE-5-DIPHOSPHORIBOSE, Silent Information Regulator 2, ZINC ION
著者Chang, J, Cho, Y.
登録日2002-06-24
公開日2003-04-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural basis for the NAD-dependent deacetylase mechanism of Sir2
J.BIOL.CHEM., 277, 2002
7C6O
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BU of 7c6o by Molmil
Catalytic Subunit of Cobaltochelatase from Mycobacterium tuberculosis
分子名称: Cobalamin biosynthesis protein CobN, GLYCEROL, SODIUM ION
著者Zhang, J, Liu, L.
登録日2020-05-22
公開日2020-12-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Crystal structure of the large subunit of cobaltochelatase from Mycobacterium tuberculosis.
Proteins, 89, 2021
1JLQ
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BU of 1jlq by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH 739W94
分子名称: 2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE, HIV-1 RT, A-CHAIN, ...
著者Ren, J, Stuart, D.I, Stammers, D.K.
登録日2001-07-16
公開日2001-08-22
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1.
J.Med.Chem., 44, 2001
8ZEY
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BU of 8zey by Molmil
Anti-CRISPR type I subtype E3;AcrIE3
分子名称: AcrIE3
著者Kim, D.Y, Park, H.H.
登録日2024-05-07
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.734 Å)
主引用文献Novel structure of the anti-CRISPR protein AcrIE3 and its implication on the CRISPR-Cas inhibition.
Biochem.Biophys.Res.Commun., 722, 2024
5V80
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BU of 5v80 by Molmil
PIM1 kinase in complex with Cpd1 (1-methyl-4-(3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one)
分子名称: 1-methyl-4-{3-[6-(piperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl}piperazin-2-one, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H.
登録日2017-03-21
公開日2018-04-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.252 Å)
主引用文献Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability.
J. Med. Chem., 60, 2017
1TKT
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BU of 1tkt by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW426318
分子名称: 6-CHLORO-4-(CYCLOHEXYLOXY)-3-PROPYLQUINOLIN-2(1H)-ONE, MAGNESIUM ION, PHOSPHATE ION, ...
著者Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K.
登録日2004-06-09
公開日2004-12-07
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
1TL1
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BU of 1tl1 by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW451211
分子名称: 6-CHLORO-4-(CYCLOHEXYLSULFINYL)-3-PROPYLQUINOLIN-2(1H)-ONE, PHOSPHATE ION, Pol polyprotein, ...
著者Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K.
登録日2004-06-09
公開日2004-12-07
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
1TKZ
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BU of 1tkz by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW429576
分子名称: 6-CHLORO-4-(CYCLOHEXYLSULFANYL)-3-PROPYLQUINOLIN-2(1H)-ONE, PHOSPHATE ION, Pol polyprotein, ...
著者Hopkins, A.L, Ren, J, Stuart, D.I, Stammers, D.K.
登録日2004-06-09
公開日2004-12-07
最終更新日2020-01-15
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.
J.Med.Chem., 47, 2004
5DGZ
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BU of 5dgz by Molmil
Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors
分子名称: (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H, Steffek, M.
登録日2015-08-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.502 Å)
主引用文献Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
5DHJ
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BU of 5dhj by Molmil
PIM1 in complex with Cpd4 (3-methyl-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine)
分子名称: 3-methyl-5-(pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridine, PHOSPHATE ION, Serine/threonine-protein kinase pim-1
著者Murray, J.M, Wallweber, H.
登録日2015-08-31
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.457 Å)
主引用文献Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8WUL
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BU of 8wul by Molmil
Crystal structure of affinity enhanced TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK)
分子名称: Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen, ...
著者Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S.
登録日2023-10-20
公開日2024-05-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen.
Commun Biol, 7, 2024
8WTE
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BU of 8wte by Molmil
Crystal structure of TCR in complex with HLA-A*11:01 bound to KRAS-G12V peptide (VVGAVGVGK)
分子名称: Beta-2-microglobulin, KRAS-G12V nonamer peptide, MHC class I antigen (Fragment), ...
著者Zhang, M.Y, Luo, L.J, Xu, W, Guan, F.H, Wang, X.Y, Zhu, P, Zhang, J.H, Zhou, X.Y, Wang, F, Ye, S.
登録日2023-10-18
公開日2024-05-01
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Identification and affinity enhancement of T-cell receptor targeting a KRAS G12V cancer neoantigen.
Commun Biol, 7, 2024
6PFM
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BU of 6pfm by Molmil
Crystal structure of GDC-0927 bound to estrogen receptor alpha
分子名称: (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor
著者Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Zbieg, J.R, Labadie, S.S, Li, J, Ray, N.C, Ortwine, D.
登録日2019-06-21
公開日2019-07-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Bioorg.Med.Chem.Lett., 29, 2019

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