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3BLI
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BU of 3bli by Molmil
Crystal structure of the catalytic domain of LiCMS in complexed with pyruvate and acetyl-CoA
分子名称: ACETYL COENZYME *A, Citramalate synthase from Leptospira interrogans, PYRUVIC ACID, ...
著者Zhang, P, Ma, J.
登録日2007-12-11
公開日2008-11-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular basis of the substrate specificity and the catalytic mechanism of citramalate synthase from Leptospira interrogans
Biochem.J., 415, 2008
3BLF
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BU of 3blf by Molmil
Crystal structure of the catalytic domain of LiCMS in complexed with pyruvate
分子名称: Citramalate synthase from Leptospira interrogans, PYRUVIC ACID, ZINC ION
著者Zhang, P, Ma, J.
登録日2007-12-11
公開日2008-11-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis of the substrate specificity and the catalytic mechanism of citramalate synthase from Leptospira interrogans.
Biochem.J., 415, 2008
1S6Q
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BU of 1s6q by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R147681
分子名称: 4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-PYRIMIDIN-2-YLAMINO]-BENZONITRILE, POL polyprotein [Contains: Reverse transcriptase]
著者Das, K, Arnold, E.
登録日2004-01-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants.
J.Med.Chem., 47, 2004
1S9E
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BU of 1s9e by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R129385
分子名称: 4-[4-AMINO-6-(2,6-DICHLORO-PHENOXY)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE, POL polyprotein [Contains: Reverse transcriptase], POL polyprotein [Contains:Reverse transcriptase]
著者Das, K, Clark Jr, A.D, Ludovici, D.W, Kukla, M.J, Decorte, B, Lewi, P.J, Hughes, S.H, Janssen, P.A, Arnold, E.
登録日2004-02-04
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants.
J.Med.Chem., 47, 2004
1S9G
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BU of 1s9g by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R120394.
分子名称: 4-[4-AMINO-6-(5-CHLORO-1H-INDOL-4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-BENZONITRILE, POL polyprotein [Contains: Reverse transcriptase]
著者Das, K, Clark Jr, A.D, Ludovici, D.W, Kukla, M.J, Decorte, B, Lewi, P.J, Hughes, S.H, Janssen, P.A, Arnold, E.
登録日2004-02-04
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants.
J.Med.Chem., 47, 2004
1SUQ
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BU of 1suq by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R185545
分子名称: (6-[4-(AMINOMETHYL)-2,6-DIMETHYLPHENOXY]-2-{[4-(AMINOMETHYL)PHENYL]AMINO}-5-BROMOPYRIMIDIN-4-YL)METHANOL, MAGNESIUM ION, REVERSE TRANSCRIPTASE
著者Das, K, Arnold, E.
登録日2004-03-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
1SV5
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BU of 1sv5 by Molmil
CRYSTAL STRUCTURE OF K103N MUTANT HIV-1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R165335
分子名称: 4-({6-AMINO-5-BROMO-2-[(4-CYANOPHENYL)AMINO]PYRIMIDIN-4-YL}OXY)-3,5-DIMETHYLBENZONITRILE, Reverse Transcriptase
著者Das, K, Arnold, E.
登録日2004-03-27
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
3BLE
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BU of 3ble by Molmil
Crystal structure of the catalytic domain of LiCMS in complexed with malonate
分子名称: Citramalate synthase from Leptospira interrogans, MALONATE ION, ZINC ION
著者Zhang, P, Ma, J.
登録日2007-12-11
公開日2008-11-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis of the substrate specificity and the catalytic mechanism of citramalate synthase from Leptospira interrogans
Biochem.J., 415, 2008
1S6P
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BU of 1s6p by Molmil
CRYSTAL STRUCTURE OF HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE (RT) IN COMPLEX WITH JANSSEN-R100943
分子名称: 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO-PHENYL)-1-IMINO-ETHYL]-THIOUREA, MAGNESIUM ION, POL polyprotein [Contains: Reverse transcriptase]
著者Das, K, Arnold, E.
登録日2004-01-26
公開日2004-05-11
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective against Wild-Type and Drug-Resistant HIV-1 Variants
J.Med.Chem., 47, 2004
2IAJ
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BU of 2iaj by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MANGANESE (II) ION, ...
著者Das, K, Arnold, E.
登録日2006-09-08
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structures of Clinically Relevant Lys103Asn/Tyr181Cys Double Mutant HIV-1 Reverse Transcriptase in Complexes with ATP and Non-nucleoside Inhibitor HBY 097.
J.Mol.Biol., 365, 2007
1WWN
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BU of 1wwn by Molmil
NMR Solution Structure of BmK-betaIT, an Excitatory Scorpion Toxin from Buthus martensi Karsch
分子名称: Excitatory insect selective toxin 1
著者Wu, H, Tong, X, Chen, X, Zhang, Q, Zheng, X, Zhang, N, Wu, G.
登録日2005-01-10
公開日2006-01-17
最終更新日2022-03-02
実験手法SOLUTION NMR
主引用文献NMR solution structure of BmK-betaIT, an excitatory scorpion beta-toxin without a 'hot spot' at the relevant position
Biochem.Biophys.Res.Commun., 349, 2006
2IC3
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BU of 2ic3 by Molmil
Crystal Structure of K103N/Y181C Mutant HIV-1 Reverse Transcriptase (RT) in Complex with Nonnucleoside Inhibitor HBY 097
分子名称: (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H (p51 RT), ...
著者Das, K, Arnold, E.
登録日2006-09-12
公開日2006-12-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal Structures of Clinically Relevant Lys103Asn/Tyr181Cys Double Mutant HIV-1 Reverse Transcriptase in Complexes with ATP and Non-nucleoside Inhibitor HBY 097.
J.Mol.Biol., 365, 2007
3U2Q
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BU of 3u2q by Molmil
EF-Tu (Escherichia coli) in complex with NVP-LFF571
分子名称: Elongation factor Tu 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Palestrant, D.J.
登録日2011-10-04
公開日2012-05-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of LFF571: an investigational agent for Clostridium difficile infection.
J.Med.Chem., 55, 2012
2QUK
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BU of 2quk by Molmil
Crystal structures of human tryptophanyl-tRNA synthetase in complex with ATP(putative)
分子名称: Tryptophanyl-tRNA synthetase
著者Shen, N, Ding, J.P.
登録日2007-08-06
公開日2008-04-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Catalytic mechanism of the tryptophan activation reaction revealed by crystal structures of human tryptophanyl-tRNA synthetase in different enzymatic states
Nucleic Acids Res., 36, 2008
2QUJ
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BU of 2quj by Molmil
Crystal structures of human tryptophanyl-tRNA synthetase in complex with TrpAMP
分子名称: CHLORIDE ION, GLYCEROL, TRYPTOPHAN, ...
著者Shen, N, Ding, J.P.
登録日2007-08-05
公開日2008-04-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Catalytic mechanism of the tryptophan activation reaction revealed by crystal structures of human tryptophanyl-tRNA synthetase in different enzymatic states
Nucleic Acids Res., 36, 2008
2QUH
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BU of 2quh by Molmil
Crystal structures of human tryptophanyl-tRNA synthetase in complex with Trp
分子名称: TRYPTOPHAN, Tryptophanyl-tRNA synthetase
著者Shen, N, Ding, J.P.
登録日2007-08-05
公開日2008-04-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Catalytic mechanism of the tryptophan activation reaction revealed by crystal structures of human tryptophanyl-tRNA synthetase in different enzymatic states
Nucleic Acids Res., 36, 2008
2QUI
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BU of 2qui by Molmil
Crystal structures of human tryptophanyl-tRNA synthetase in complex with Tryptophanamide and ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, L-TRYPTOPHANAMIDE, MAGNESIUM ION, ...
著者Shen, N, Ding, J.P.
登録日2007-08-05
公開日2008-04-29
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Catalytic mechanism of the tryptophan activation reaction revealed by crystal structures of human tryptophanyl-tRNA synthetase in different enzymatic states
Nucleic Acids Res., 36, 2008
6KMS
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BU of 6kms by Molmil
Crystal structure of human N6amt1-Trm112 in complex with SAM (space group I422)
分子名称: Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYLMETHIONINE
著者Li, W.J, Shi, Y, Zhang, T.L, Ye, J, Ding, J.P.
登録日2019-08-01
公開日2019-09-18
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insight into human N6amt1-Trm112 complex functioning as a protein methyltransferase.
Cell Discov, 5, 2019
6KMR
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BU of 6kmr by Molmil
Crystal structure of human N6amt1-Trm112 in complex with SAM (space group P6122)
分子名称: 1,2-ETHANEDIOL, Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein, ...
著者Li, W.J, Shi, Y, Zhang, T.L, Ye, J, Ding, J.P.
登録日2019-08-01
公開日2019-09-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural insight into human N6amt1-Trm112 complex functioning as a protein methyltransferase.
Cell Discov, 5, 2019
2I5J
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BU of 2i5j by Molmil
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with DHBNH, an RNASE H inhibitor
分子名称: (E)-3,4-DIHYDROXY-N'-[(2-METHOXYNAPHTHALEN-1-YL)METHYLENE]BENZOHYDRAZIDE, MAGNESIUM ION, Reverse transcriptase/ribonuclease H P51 subunit, ...
著者Himmel, D.M, Sarafianos, S.G, Knight, J.L, Levy, R.M, Arnold, E.
登録日2006-08-24
公開日2006-12-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site.
Acs Chem.Biol., 1, 2006
2PVP
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BU of 2pvp by Molmil
Crystal structure of D-Alanine-D-Alanine Ligase from Helicobacter pylori
分子名称: D-alanine-D-alanine ligase
著者Wu, D, Zhang, L, Jiang, H, Shen, X.
登録日2007-05-10
公開日2008-04-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Enzymatic characterization and crystal structure analysis of the D-alanine-D-alanine ligase from Helicobacter pylori.
Proteins, 72, 2008
2PWX
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BU of 2pwx by Molmil
Crystal structure of G11A mutant of SARS-CoV 3C-like protease
分子名称: 3C-like proteinase
著者Chen, S, Hu, T, Jiang, H, Shen, X.
登録日2007-05-14
公開日2007-10-30
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mutation of Gly-11 on the dimer interface results in the complete crystallographic dimer dissociation of severe acute respiratory syndrome coronavirus 3C-like protease: crystal structure with molecular dynamics simulations.
J.Biol.Chem., 283, 2008
2ZD1
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BU of 2zd1 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with TMC278 (Rilpivirine), A Non-nucleoside RT Inhibitor
分子名称: 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, ...
著者Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E.
登録日2007-11-16
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2ZE2
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BU of 2ze2 by Molmil
Crystal structure of L100I/K103N mutant HIV-1 reverse transcriptase (RT) in complex with TMC278 (rilpivirine), a non-nucleoside RT inhibitor
分子名称: 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Das, K, Bauman, J.D, Clark Jr, A.D, Shatkin, A.J, Arnold, E.
登録日2007-12-05
公開日2008-02-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献High-resolution structures of HIV-1 reverse transcriptase/TMC278 complexes: Strategic flexibility explains potency against resistance mutations.
Proc.Natl.Acad.Sci.Usa, 105, 2008
2RJG
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BU of 2rjg by Molmil
Crystal structure of biosynthetic alaine racemase from Escherichia coli
分子名称: Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
登録日2007-10-15
公開日2008-07-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008

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