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2OBQ
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Discovery of the HCV NS3/4A Protease Inhibitor SCH503034. Key Steps in Structure-Based Optimization
分子名称: Hepatitis C virus, ZINC ION
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-19
公開日2007-07-31
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2MLK
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Three-dimensional structure of the C-terminal DNA-binding domain of RstA protein from Klebsiella pneumoniae
分子名称: RstA
著者Fang, P, Chen, S, Cheng, Y, Chang, C, Yu, T, Huang, T.
登録日2014-03-02
公開日2014-07-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural dynamics of the two-component response regulator RstA in recognition of promoter DNA element.
Nucleic Acids Res., 42, 2014
2NWJ
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Structure of the complex of C-terminal lobe of bovine lactoferrin with disaccharide at 1.75 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ...
著者Singh, N, Sharma, S, Perbandt, M, Kaur, P, Betzel, C, Singh, T.P.
登録日2006-11-15
公開日2006-11-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structure of the complex of C-terminal lobe of bovine lactoferrin with disaccharide at 1.75 A resolution
To be Published
4NM2
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Structure of human DNA polymerase beta complexed with a nicked DNA containing a 8BrG-G at N-1 position and G-C at N position
分子名称: 5'-D(*CP*CP*GP*AP*CP*GP*(BGM)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Koag, M.-C, Min, K, Monzingo, A.F, Lee, S.
登録日2013-11-14
公開日2014-01-22
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.524 Å)
主引用文献Structural basis for promutagenicity of 8-halogenated Guanine.
J.Biol.Chem., 289, 2014
3FD7
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Crystal structure of Onconase C87A/C104A-ONC
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Protein P-30, ...
著者Neumann, P, Schulenburg, C, Arnold, U, Ulbrich-Hofmann, R, Stubbs, M.T.
登録日2008-11-25
公開日2009-12-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.531 Å)
主引用文献Impact of the C-terminal disulfide bond on the folding and stability of onconase.
Chembiochem, 11, 2010
1KPE
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PKCI-TRANSITION STATE ANALOG
分子名称: ADENOSINE-5'-DITUNGSTATE, PROTEIN KINASE C INTERACTING PROTEIN
著者Lima, C.D, Klein, M.G, Hendrickson, W.A.
登録日1997-09-25
公開日1998-03-25
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based analysis of catalysis and substrate definition in the HIT protein family.
Science, 278, 1997
2OT4
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Structure of a hexameric multiheme c nitrite reductase from the extremophile bacterium Thiolkalivibrio nitratireducens
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
著者Polyakov, K.M, Boyko, K.M, Slutsky, A, Tikhonova, T.V, Antipov, A.N, Zvyagilskaya, R.A, Popov, A.N, Lamzin, V.S, Bourenkov, G.P, Popov, V.O.
登録日2007-02-07
公開日2008-04-08
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-resolution structural analysis of a novel octaheme cytochrome c nitrite reductase from the haloalkaliphilic bacterium Thioalkalivibrio nitratireducens.
J.Mol.Biol., 389, 2009
1ZAP
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SECRETED ASPARTIC PROTEASE FROM C. ALBICANS
分子名称: N-ethyl-N-[(4-methylpiperazin-1-yl)carbonyl]-D-phenylalanyl-N-[(1S,2S,4R)-4-(butylcarbamoyl)-1-(cyclohexylmethyl)-2-hydroxy-5-methylhexyl]-L-norleucinamide, SECRETED ASPARTIC PROTEINASE, ZINC ION
著者Abad-Zapatero, C, Muchmore, S.W.
登録日1996-01-16
公開日1997-04-21
最終更新日2012-01-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of a secreted aspartic protease from C. albicans complexed with a potent inhibitor: implications for the design of antifungal agents.
Protein Sci., 5, 1996
1OLP
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Alpha Toxin from Clostridium Absonum
分子名称: ALPHA-TOXIN, CALCIUM ION, ZINC ION
著者Briggs, D.C, Basak, A.K.
登録日2003-08-11
公開日2003-10-23
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Clostridium Absonum Alpha-Toxin: New Insights Into Clostridial Phospholipase C Substrate Binding and Specificity
J.Mol.Biol., 333, 2003
4IVC
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JAK1 kinase (JH1 domain) in complex with the inhibitor (TRANS-4-{2-[(1R)-1-HYDROXYETHYL]IMIDAZO[4,5-D]PYRROLO[2,3-B]PYRIDIN-1(6H)-YL}CYCLOHEXYL)ACETONITRILE
分子名称: (trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)acetonitrile, Tyrosine-protein kinase JAK1
著者Eigenbrot, C, Shia, S.
登録日2013-01-22
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
2KV3
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Human Regenerating Gene Type IV (REG IV) PROTEIN, P91S mutant
分子名称: Regenerating islet-derived protein 4
著者Ho, M, Lou, Y, Chen, C.
登録日2010-03-04
公開日2010-08-18
最終更新日2021-11-10
実験手法SOLUTION NMR
主引用文献Human RegIV protein adopts a typical C-type lectin fold but binds mannan with two calcium-independent sites.
J.Mol.Biol., 402, 2010
1HWV
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MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY
分子名称: (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3'
著者Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S.
登録日2001-01-10
公開日2001-03-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity.
J.Mol.Biol., 306, 2001
1HX4
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MOLECULAR TOPOLOGY OF POLYCYCLIC AROMATIC CARCINOGENS DETERMINES DNA ADDUCT CONFORMATION: A LINK TO TUMORIGENIC ACTIVITY
分子名称: (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL, 5'-D(*CP*CP*AP*TP*CP*GP*CP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*GP*CP*GP*AP*TP*GP*G)-3'
著者Patel, D.J, Lin, C.H, Geacintov, N.E, Broyde, S, Huang, X, Kolbanovskii, A, Hingerty, B.E, Amin, S.
登録日2001-01-11
公開日2001-03-21
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Molecular topology of polycyclic aromatic carcinogens determines DNA adduct conformation: a link to tumorigenic activity.
J.Mol.Biol., 306, 2001
3GWK
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Structure of the homodimeric WXG-100 family protein from Streptococcus agalactiae
分子名称: Putative uncharacterized protein SAG1039, SULFATE ION
著者Poulsen, C, Gries, F, Wilmanns, M, Song, Y.H.
登録日2009-04-01
公開日2010-09-08
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献WXG100 protein superfamily consists of three subfamilies and exhibits an alpha-helical C-terminal conserved residue pattern.
Plos One, 9, 2014
4OBX
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Crystal structure of yeast Coq5 in the apo form
分子名称: 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial, TRIS(HYDROXYETHYL)AMINOMETHANE
著者Dai, Y.N, Zhou, K, Cao, D.D, Jiang, Y.L, Meng, F, Chi, C.B, Ren, Y.M, Chen, Y.X, Zhou, C.Z.
登録日2014-01-07
公開日2014-08-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures and catalytic mechanism of the C-methyltransferase Coq5 provide insights into a key step of the yeast coenzyme Q synthesis pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4OBW
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crystal structure of yeast Coq5 in the SAM bound form
分子名称: 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial, S-ADENOSYLMETHIONINE, ...
著者Dai, Y.N, Zhou, K, Cao, D.D, Jiang, Y.L, Meng, F, Chi, C.B, Ren, Y.M, Chen, Y.X, Zhou, C.Z.
登録日2014-01-07
公開日2014-08-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures and catalytic mechanism of the C-methyltransferase Coq5 provide insights into a key step of the yeast coenzyme Q synthesis pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4IVD
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JAK1 kinase (JH1 domain) in complex with compound 34
分子名称: 3-(trans-4-{2-[(1R)-1-hydroxyethyl]imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl}cyclohexyl)propanenitrile, Tyrosine-protein kinase JAK1
著者Eigenbrot, C, Steffek, M.
登録日2013-01-22
公開日2013-05-22
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Identification of C-2 Hydroxyethyl Imidazopyrrolopyridines as Potent JAK1 Inhibitors with Favorable Physicochemical Properties and High Selectivity over JAK2.
J.Med.Chem., 56, 2013
4J20
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X-ray structure of the cytochrome c-554 from chlorobaculum tepidum
分子名称: Cytochrome c-555, HEME B/C, ISOPROPYL ALCOHOL, ...
著者Unno, M, Yu, L.J, Wang-otomo, Z.Y.
登録日2013-02-04
公開日2013-10-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structure analysis and characterization of the cytochrome c-554 from thermophilic green sulfur photosynthetic bacterium Chlorobaculum tepidum
Photosynth.Res., 118, 2013
7RIC
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Griffithsin variant Y28W/Y68W/Y110W
分子名称: Griffithsin
著者Zhao, G, Sun, J, Bewley, C.A.
登録日2021-07-19
公開日2022-05-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献C 3 -Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity.
Acs Chem.Biol., 17, 2022
7RID
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Griffithsin variant Y28A
分子名称: Griffithsin
著者Zhao, G, Sun, J, Bewley, C.A.
登録日2021-07-19
公開日2022-05-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献C 3 -Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity.
Acs Chem.Biol., 17, 2022
6KKP
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The crystal structure of apo-SiaC from Pseudomonas aeruginosa
分子名称: DUF1987 domain-containing protein
著者Gan, J.H, Yang, C, Chen, G.K, Liang, H.H.
登録日2019-07-26
公開日2020-06-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The SiaA/B/C/D signaling network regulates biofilm formation in Pseudomonas aeruginosa.
Embo J., 39, 2020
1HZV
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DOMAIN SWING UPON HIS TO ALA MUTATION IN NITRITE REDUCTASE OF PSEUDOMONAS AERUGINOSA
分子名称: HEME C, HEME D, NITRIC OXIDE, ...
著者Brown, K, Tegoni, M, Cambillau, C.
登録日2001-01-26
公開日2001-09-26
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Domain swing upon His to Ala mutation in nitrite reductase of Pseudomonas aeruginosa.
J.Mol.Biol., 312, 2001
1WVN
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Crystal Structure of domain 3 of human alpha polyC binding protein
分子名称: Poly(rC)-binding protein 1
著者Wilce, M.C.J, Wilce, J.A, Sidiqu, M.
登録日2004-12-17
公開日2005-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure and RNA binding of the third KH domain of poly(C)-binding protein 1.
Nucleic Acids Res., 33, 2005
2WJN
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Lipidic sponge phase crystal structure of photosynthetic reaction centre from Blastochloris viridis (high dose)
分子名称: 15-cis-1,2-dihydroneurosporene, BACTERIOCHLOROPHYLL B, BACTERIOPHEOPHYTIN B, ...
著者Wohri, A.B, Wahlgren, W.Y, Malmerberg, E, Johansson, L.C, Neutze, R, Katona, G.
登録日2009-05-27
公開日2009-09-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Lipidic sponge phase crystal structure of a photosynthetic reaction center reveals lipids on the protein surface.
Biochemistry, 48, 2009
2R5P
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Crystal Structure Analysis of HIV-1 Subtype C Protease Complexed with Indinavir
分子名称: CHLORIDE ION, N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE, Protease, ...
著者Coman, R.M, Robbins, A.H, McKenna, R, Dunn, B.M.
登録日2007-09-04
公開日2007-11-20
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Contribution of Naturally Occurring Polymorphisms in Altering the Biochemical and Structural Characteristics of HIV-1 Subtype C Protease
Biochemistry, 47, 2008

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