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3SQF
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BU of 3sqf by Molmil
Crystal structure of monomeric M-PMV retroviral protease
分子名称: Protease
著者Jaskolski, M, Kazmierczyk, M, Gilski, M, Krzywda, S, Pichova, I, Zabranska, H, Khatib, F, DiMaio, F, Cooper, S, Thompson, J, Popovic, Z, Baker, D, Group, Foldit Contenders
登録日2011-07-05
公開日2011-09-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6324 Å)
主引用文献Crystal structure of a monomeric retroviral protease solved by protein folding game players.
Nat.Struct.Mol.Biol., 18, 2011
2KHX
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BU of 2khx by Molmil
Drosha double-stranded RNA binding motif
分子名称: Ribonuclease 3
著者Mueller, G.A, Miller, M, Ghosh, M, DeRose, E.F, London, R.E, Hall, T.
登録日2009-04-13
公開日2010-02-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of the Drosha double-stranded RNA-binding domain.
Silence, 1, 2010
3IEC
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BU of 3iec by Molmil
Helicobacter pylori CagA Inhibits PAR1/MARK Family Kinases by Mimicking Host Substrates
分子名称: Cytotoxicity-associated immunodominant antigen, Serine/threonine-protein kinase MARK2
著者Stebbins, C.E, Nesic, D, Miller, M.
登録日2009-07-22
公開日2009-12-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Helicobacter pylori CagA inhibits PAR1-MARK family kinases by mimicking host substrates.
Nat.Struct.Mol.Biol., 17, 2010
6NDT
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BU of 6ndt by Molmil
Dehydroalanine intermediate of the FlgE D2 domain
分子名称: Flagellar hook protein FlgE
著者Lynch, M.J, Crane, B.R.
登録日2018-12-14
公開日2019-08-14
最終更新日2019-12-18
実験手法X-RAY DIFFRACTION (1.424 Å)
主引用文献Structure and chemistry of lysinoalanine crosslinking in the spirochaete flagella hook.
Nat.Chem.Biol., 15, 2019
6NDX
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Lysinoalanine cross-linked FlgE dimer from Treponema denticola
分子名称: Flagellar hook protein FlgE
著者Lynch, M.J, Crane, B.R.
登録日2018-12-14
公開日2019-08-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Structure and chemistry of lysinoalanine crosslinking in the spirochaete flagella hook.
Nat.Chem.Biol., 15, 2019
6NDV
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FlgE D2 domain K336A mutant
分子名称: Flagellar hook protein FlgE
著者Lynch, M.J, Crane, B.R.
登録日2018-12-14
公開日2019-08-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献Structure and chemistry of lysinoalanine crosslinking in the spirochaete flagella hook.
Nat.Chem.Biol., 15, 2019
6NDW
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Crystal structure of the wild type D2 domain (A168-T344) of the flagellar hook protein FlgE from Treponema denticola
分子名称: Flagellar hook protein FlgE
著者Lynch, M.J, Crane, B.R.
登録日2018-12-14
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.725 Å)
主引用文献Structure and chemistry of lysinoalanine crosslinking in the spirochaete flagella hook.
Nat.Chem.Biol., 15, 2019
3C6T
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BU of 3c6t by Molmil
Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 14
分子名称: 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide, Reverse transcriptase
著者Yan, Y, Prasad, S.
登録日2008-02-05
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations.
Bioorg.Med.Chem.Lett., 18, 2008
5LCB
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BU of 5lcb by Molmil
In situ atomic-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum obtained combining solid-state NMR spectroscopy, cryo electron microscopy and polarization spectroscopy
分子名称: BACTERIOCHLOROPHYLL A, Bacteriochlorophyll c-binding protein
著者Nielsen, J.T, Kulminskaya, N.V, Bjerring, M, Linnanto, J.M, Ratsep, M, Pedersen, M, Lambrev, P.H, Dorogi, M, Garab, G, Thomsen, K, Jegerschold, C, Frigaard, N.U, Lindahl, M, Nielsen, N.C.
登録日2016-06-20
公開日2016-07-27
最終更新日2023-09-13
実験手法ELECTRON MICROSCOPY (26.5 Å), SOLID-STATE NMR
主引用文献In situ high-resolution structure of the baseplate antenna complex in Chlorobaculum tepidum.
Nat Commun, 7, 2016
5IVT
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BU of 5ivt by Molmil
Crystal Structure of HIV Protease complexed with [(1S)-1-[(S)-(4-chlorophenyl)-(3,5-difluorophenyl)methyl]-2-[[5-fluoro-4-[2-[(2R,5S)-5-(2,2,2-trifluoroethylcarbamoyloxymethyl)morpholin-4-ium-2-yl]ethyl]pyridin-1-ium-3-yl]amino]-2-oxo-ethyl]ammonium
分子名称: (betaS)-4-chloro-beta-(3,5-difluorophenyl)-N-(5-fluoro-4-{2-[(2R,5S)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-L-phenylalaninamide, ACETATE ION, CHLORIDE ION, ...
著者Su, H.P.
登録日2016-03-21
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
5IVR
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Crystal Structure of HIV Protease complexed with methyl N-[(1S)-1-[[2-[(3S)-3-[(4-aminophenyl)methylamino]-4-hydroxy-butyl]phenyl]carbamoyl]-2,2-diphenyl-ethyl]carbamate
分子名称: CHLORIDE ION, N-{2-[(3S)-3-{[(4-aminophenyl)methyl]amino}-4-hydroxybutyl]phenyl}-Nalpha-(methoxycarbonyl)-beta-phenyl-L-phenylalaninamide, Protease
著者Su, H.P.
登録日2016-03-21
公開日2016-05-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Discovery of MK-8718, an HIV Protease Inhibitor Containing a Novel Morpholine Aspartate Binding Group.
Acs Med.Chem.Lett., 7, 2016
6PLG
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BU of 6plg by Molmil
Crystal structure of human PHGDH complexed with Compound 15
分子名称: (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid, D-3-phosphoglycerate dehydrogenase, D-MALATE
著者Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K.
登録日2019-06-30
公開日2019-07-24
最終更新日2019-09-04
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
6PLF
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Crystal structure of human PHGDH complexed with Compound 1
分子名称: 1,2-ETHANEDIOL, 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid, D-3-phosphoglycerate dehydrogenase
著者Olland, A, Lakshminarasimhan, D, White, A, Suto, R.K.
登録日2019-06-30
公開日2019-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
Bioorg.Med.Chem.Lett., 29, 2019
8RSA
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BU of 8rsa by Molmil
CRYSTAL STRUCTURE OF TWO COVALENT NUCLEOSIDE DERIVATIVES OF RIBONUCLEASE A
分子名称: 3'-DEOXY-3'-ACETAMIDO-THYMIDINE, RIBONUCLEASE A
著者Nachman, J, Wlodawer, A.
登録日1989-08-28
公開日1991-04-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of two covalent nucleoside derivatives of ribonuclease A.
Biochemistry, 29, 1990
3DRR
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BU of 3drr by Molmil
HIV reverse transcriptase Y181C mutant in complex with inhibitor R8e
分子名称: 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Yan, Y.
登録日2008-07-11
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses.
J.Med.Chem., 51, 2008
3DRS
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HIV reverse transcriptase K103N mutant in complex with inhibitor R8D
分子名称: 3-chloro-5-[2-chloro-5-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile, Reverse transcriptase/ribonuclease H, p66 RT
著者Yan, Y, Prasad, S.
登録日2008-07-11
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses.
J.Med.Chem., 51, 2008
3DRP
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BU of 3drp by Molmil
HIV reverse transcriptase in complex with inhibitor R8e
分子名称: 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Yan, Y, Prasad, S.
登録日2008-07-11
公開日2008-10-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): A Potent, Orally Bioavailable HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitor with Improved Potency against Key Mutant Viruses.
J.Med.Chem., 51, 2008
3I0R
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crystal structure of HIV reverse transcriptase in complex with inhibitor 3
分子名称: Reverse transcriptase/ribonuclease H, S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6-methyl-3,4-dihydroquinoline-1(2H)-carbothioate, p51 RT
著者Yan, Y, Prasad, S.
登録日2009-06-25
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献Substituted tetrahydroquinolines as potent allosteric inhibitors of reverse transcriptase and its key mutants.
Bioorg.Med.Chem.Lett., 19, 2009
3T1A
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BU of 3t1a by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K103N mutant) in Complex with Inhibitor M05
分子名称: 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine, Reverse Transcriptase
著者Yan, Y, Reid, J.
登録日2011-07-21
公開日2011-10-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.
J.Med.Chem., 54, 2011
3T19
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Crystal structure of HIV-1 reverse transcriptase (wild type) in complex with inhibitor M05
分子名称: 1-(2,5-dichloro-3-{[5-chloro-1-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1H-benzotriazol-4-yl]oxy}phenyl)methanamine, Reverse Transcriptase
著者Yan, Y, Reid, J.
登録日2011-07-21
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.
J.Med.Chem., 54, 2011
3I0S
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BU of 3i0s by Molmil
crystal structure of HIV reverse transcriptase in complex with inhibitor 7
分子名称: Reverse transcriptase/ribonuclease H, S-{2-[(2-chloro-4-sulfamoylphenyl)amino]-2-oxoethyl} 6,8-dichloro-3,4-dihydroquinoline-1(2H)-carbothioate, p51 RT
著者Yan, Y, Prasad, S.
登録日2009-06-25
公開日2009-08-25
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Substituted tetrahydroquinolines as potent allosteric inhibitors of reverse transcriptase and its key mutants.
Bioorg.Med.Chem.Lett., 19, 2009
5F98
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Crystal structure of RIG-I in complex with Cap-0 RNA
分子名称: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Probable ATP-dependent RNA helicase DDX58, ...
著者Wang, C, Marcotrigiano, J, Miller, M, Jiang, F.
登録日2015-12-09
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Structural basis for m7G recognition and 2'-O-methyl discrimination in capped RNAs by the innate immune receptor RIG-I.
Proc.Natl.Acad.Sci.USA, 113, 2016
5RSA
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COMPARISON OF TWO INDEPENDENTLY REFINED MODELS OF RIBONUCLEASE-A
分子名称: PHOSPHATE ION, RIBONUCLEASE A
著者Wlodawer, A.
登録日1985-04-29
公開日1985-07-17
最終更新日2023-03-15
実験手法NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
主引用文献Comparison of Two Independently Refined Models of Ribonuclease-A
Acta Crystallogr.,Sect.B, 42, 1986
3T92
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Crystal structure of the Taz2:C/EBPepsilon-TAD chimera protein
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, ACETONE, HISTONE ACETYLTRANSFERASE P300 TAZ2-CCAAT/ENHANCER-BINDING PROTEIN EPSILON, ...
著者Bhaumik, P, Maria, M.
登録日2011-08-02
公開日2012-08-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insights into interactions of C/EBP transcriptional activators with the Taz2 domain of p300.
Acta Crystallogr. D Biol. Crystallogr., 70, 2014
1AGX
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REFINED CRYSTAL STRUCTURE OF ACINETOBACTER GLUTAMINASIFICANS GLUTAMINASE-ASPARAGINASE
分子名称: GLUTAMINASE-ASPARAGINASE
著者Lubkowski, J, Wlodawer, A, Housset, D, Weber, I.T, Ammon, H.L, Murphy, K.C, Swain, A.L.
登録日1994-07-13
公開日1994-12-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Refined crystal structure of Acinetobacter glutaminasificans glutaminase-asparaginase.
Acta Crystallogr.,Sect.D, 50, 1994

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