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4PC0
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BU of 4pc0 by Molmil
Structure of the human RbAp48-MTA1(670-711) complex
分子名称: CALCIUM ION, GLYCEROL, Histone-binding protein RBBP4, ...
著者Alqarni, S.S.M, Silva, A.P.G, Mackay, J.P, Laue, E.D.
登録日2014-04-14
公開日2014-06-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex.
J.Biol.Chem., 289, 2014
1YIM
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BU of 1yim by Molmil
Human estrogen receptor alpha ligand-binding domain in complex with compound 4
分子名称: (2R,3R,4S)-3-(4-HYDROXYPHENYL)-4-METHYL-2-[4-(2-PYRROLIDIN-1-YLETHOXY)PHENYL]CHROMAN-6-OL, Estrogen receptor
著者Fitzgerald, P.M, Sharma, N.
登録日2005-01-12
公開日2005-07-26
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs.
Bioorg.Med.Chem.Lett., 15, 2005
4AJ9
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BU of 4aj9 by Molmil
Catalase 3 from Neurospora crassa
分子名称: ACETATE ION, CATALASE-3, PENTAETHYLENE GLYCOL, ...
著者Zarate-Romero, A, Rudino-Pinera, E.
登録日2012-02-16
公開日2013-03-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state.
Arch.Biochem.Biophys., 666, 2019
3ZJ5
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BU of 3zj5 by Molmil
NEUROSPORA CRASSA CATALASE-3 EXPRESSED IN E. COLI, ORTHORHOMBIC FORM.
分子名称: 1,2-ETHANEDIOL, 2-(2-ETHOXYETHOXY)ETHANOL, CATALASE-3, ...
著者Zarate-Romero, A, Rudino-Pinera, E.
登録日2013-01-17
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Conformational Stability and Crystal Packing: Polymorphism in Neurospora Crassa Cat-3
Acta Crystallogr.,Sect.F, 69, 2013
4NHV
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BU of 4nhv by Molmil
Crystal structure of B. anthracis DHPS with interfacial compound 4: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine
分子名称: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine, Dihydropteroate synthase, SULFATE ION
著者Hammoudeh, D.I, White, S.W.
登録日2013-11-05
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
4NIL
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BU of 4nil by Molmil
Crystal structure of B. anthracis DHPS with compound 5: 4-[(trifluoromethyl)sulfanyl]benzamide
分子名称: 4-[(trifluoromethyl)sulfanyl]benzamide, Dihydropteroate Synthase, SULFATE ION
著者Hammoudeh, D.I, White, S.W.
登録日2013-11-06
公開日2014-05-14
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Identification and characterization of an allosteric inhibitory site on dihydropteroate synthase.
Acs Chem.Biol., 9, 2014
4PBZ
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BU of 4pbz by Molmil
Structure of the human RbAp48-MTA1(670-695) complex
分子名称: Histone-binding protein RBBP4, Metastasis-associated protein MTA1
著者Murthy, A, Pei, X.Y, Watson, A.A, Silva, A.P.G, Mackay, J.P, Laue, E.D.
登録日2014-04-14
公開日2014-06-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex.
J.Biol.Chem., 289, 2014
4PBY
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BU of 4pby by Molmil
Structure of the human RbAp48-MTA1(656-686) complex
分子名称: Histone-binding protein RBBP4, ISOPROPYL ALCOHOL, Metastasis-associated protein MTA1
著者Murthy, A, Lejon, S, Alqarni, S.S.M, Silva, A.P.G, Watson, A.A, Mackay, J.P, Laue, E.D.
登録日2014-04-14
公開日2014-06-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insight into the architecture of the NuRD complex: Structure of the RbAp48-MTA1 sub-complex.
J.Biol.Chem., 289, 2014
3ZJ4
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BU of 3zj4 by Molmil
Neurospora Crassa Catalase-3 expressed in E. coli, triclinic form.
分子名称: CATALASE-3, PROTOPORPHYRIN IX CONTAINING FE
著者Zarate-Romero, A, Rudino-Pinera, E.
登録日2013-01-17
公開日2013-07-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.098 Å)
主引用文献Conformational Stability and Crystal Packing: Polymorphism in Neurospora Crassa Cat-3
Acta Crystallogr.,Sect.F, 69, 2013
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
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
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
1SCY
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BU of 1scy by Molmil
DETERMINATION OF THE THREE-DIMENSIONAL STRUCTURE OF SCYLLATOXIN BY 1H NUCLEAR MAGNETIC RESONANCE
分子名称: SCYLLATOXIN
著者Martins, J.C, Van De Ven, F.J.M, Borremans, F.A.M.
登録日1994-06-02
公開日1995-01-26
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Determination of the three-dimensional solution structure of scyllatoxin by 1H nuclear magnetic resonance.
J.Mol.Biol., 253, 1995
4I12
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BU of 4i12 by Molmil
Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors
分子名称: 2-{(1S)-1-{[(1Z)-6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]amino}-2-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]ethyl}pyrimidin-4(5H)-one, Beta-secretase 1, SODIUM ION, ...
著者Lougheed, J.C, Brecht, E, Yao, N.H.
登録日2012-11-19
公開日2013-03-06
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I10
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BU of 4i10 by Molmil
Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates
分子名称: 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}pyrido[4,3-d]pyrimidin-4(1H)-one, Beta-secretase 1, ZINC ION
著者Lougheed, J.C, Brecht, E, Yao, N.H.
登録日2012-11-19
公開日2013-03-06
最終更新日2013-04-24
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
4I0D
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BU of 4i0d by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
分子名称: Beta-secretase 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-(4-propylthiophen-3-yl)-L-alanine, ZINC ION
著者Yao, N, Brecht, E.
登録日2012-11-16
公開日2013-10-09
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I0G
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BU of 4i0g by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
分子名称: 3-(4-bromothiophen-3-yl)-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine, Beta-secretase 1, ZINC ION
著者Yao, N, Brecht, E.
登録日2012-11-16
公開日2013-03-06
最終更新日2013-04-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
4HZT
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BU of 4hzt by Molmil
Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates
分子名称: 3-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-1,2,4-oxadiazol-5(2H)-one, Beta-secretase 1, ZINC ION
著者Yao, N, Brecht, E.
登録日2012-11-15
公開日2013-03-06
最終更新日2013-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
4I1C
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BU of 4i1c by Molmil
Design and synthesis of thiophene dihydroisoquinolins as novel BACE-1 inhibitors
分子名称: BETA-SECRETASE 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[2-propyl-4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION
著者Lougheed, J.C, Brecht, E, Yao, N.H.
登録日2012-11-20
公開日2013-03-06
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I0E
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BU of 4i0e by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
分子名称: 3-[2-bromo-4-(1H-pyrazol-4-yl)thiophen-3-yl]-N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-L-alanine, Beta-secretase 1, ZINC ION
著者Yao, N, Brecht, E.
登録日2012-11-16
公開日2013-03-06
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I0F
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BU of 4i0f by Molmil
Design and Synthesis of Thiophene Dihydroisoquinolins as Novel BACE-1 Inhibitors
分子名称: Beta-secretase 1, N-(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)-3-[4-(1H-pyrazol-4-yl)thiophen-3-yl]-L-alanine, ZINC ION
著者Yao, N, Brecht, E.
登録日2012-11-16
公開日2013-03-06
最終更新日2013-07-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
4I0Z
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BU of 4i0z by Molmil
Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates
分子名称: 2-{(1S)-1-[(6-CHLORO-3,3-DIMETHYL-3,4-DIHYDROISOQUINOLIN-1-YL)AMINO]-2-PHENYLETHYL}-4-OXO-1,4-DIHYDROPYRIMIDINE-5-CARBONITRILE, 2-{(1S)-1-[(6-chloro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)amino]-2-phenylethyl}-4-oxo-1,4-dihydropyrimidine-5-carbonitrile, ZINC ION
著者Lougheed, J.C, Brecht, E, Yao, N.H.
登録日2012-11-19
公開日2013-03-06
最終更新日2013-04-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.
Bioorg.Med.Chem.Lett., 23, 2013
6BTM
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BU of 6btm by Molmil
Structure of Alternative Complex III from Flavobacterium johnsoniae (Wild Type)
分子名称: (2S)-3-hydroxypropane-1,2-diyl ditetradecanoate, Alternative Complex III subunit A, Alternative Complex III subunit B, ...
著者Sun, C, Benlekbir, S, Venkatakrishnan, P, Yuhang, W, Tajkhorshid, E, Rubinstein, J.L, Gennis, R.B.
登録日2017-12-07
公開日2018-05-09
最終更新日2024-04-24
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of the alternative complex III in a supercomplex with cytochrome oxidase.
Nature, 557, 2018
3UB0
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BU of 3ub0 by Molmil
Crystal structure of the nonstructural protein 7 and 8 complex of Feline Coronavirus
分子名称: Non-structural protein 6, nsp6,, Non-structural protein 7, ...
著者Xiao, Y, Hilgenfeld, R, Ma, Q.
登録日2011-10-22
公開日2012-02-22
最終更新日2017-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Nonstructural proteins 7 and 8 of feline coronavirus form a 2:1 heterotrimer that exhibits primer-independent RNA polymerase activity.
J.Virol., 86, 2012

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