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3NYG
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BU of 3nyg by Molmil
X-ray structure of ester chemical analogue [O-Gly51,O-Gly51']HIV-1 protease complexed with MVT-101 inhibitor
分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, protease
著者Torbeev, V.Y, Kent, S.B.H.
登録日2010-07-15
公開日2011-11-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3NWX
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BU of 3nwx by Molmil
X-ray structure of ester chemical analogue [O-Ile50,O-Ile50']HIV-1 protease complexed with KVS-1 inhibitor
分子名称: N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide, SULFATE ION, protease
著者Torbeev, V.Y, Kent, S.B.H.
登録日2010-07-12
公開日2011-11-02
最終更新日2019-07-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
7THM
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BU of 7thm by Molmil
SARS-CoV-2 nsp12/7/8 complex with a native N-terminus nsp9
分子名称: MANGANESE (II) ION, Non-structural protein 7, Non-structural protein 8, ...
著者Osinski, A, Tagliabracci, V.S, Chen, Z, Li, Y.
登録日2022-01-11
公開日2022-03-16
最終更新日2024-01-17
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献The mechanism of RNA capping by SARS-CoV-2.
Nature, 609, 2022
4IBG
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BU of 4ibg by Molmil
Ebola virus VP35 bound to small molecule
分子名称: GLYCEROL, PHOSPHATE ION, Polymerase cofactor VP35, ...
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
登録日2012-12-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.413 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBD
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BU of 4ibd by Molmil
Ebola virus VP35 bound to small molecule
分子名称: 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-methylbenzoic acid, GLYCEROL, MAGNESIUM ION, ...
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
登録日2012-12-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBB
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BU of 4ibb by Molmil
Ebola virus VP35 bound to small molecule
分子名称: Polymerase cofactor VP35, {4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-12-08
公開日2014-02-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.752 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBI
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BU of 4ibi by Molmil
Ebola virus VP35 bound to small molecule
分子名称: 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-4-hydroxy-5-oxo-3-[3-(trifluoromethyl)benzoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
登録日2012-12-08
公開日2014-03-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.473 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBF
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BU of 4ibf by Molmil
Ebola virus VP35 bound to small molecule
分子名称: (4-{(2R)-2-(4-bromothiophen-2-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}phenyl)acetic acid, Polymerase cofactor VP35
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-12-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.291 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBJ
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BU of 4ibj by Molmil
Ebola virus VP35 bound to small molecule
分子名称: 3-{(5S)-3-hydroxy-2-oxo-4-[3-(trifluoromethyl)benzoyl]-5-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, Polymerase cofactor VP35
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
登録日2012-12-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBE
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BU of 4ibe by Molmil
Ebola virus VP35 bound to small molecule
分子名称: 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-chlorobenzoic acid, GLYCEROL, Polymerase cofactor VP35
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2012-12-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBK
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BU of 4ibk by Molmil
Ebola virus VP35 bound to small molecule
分子名称: 3-{(2S)-2-(7-chloro-1,3-benzodioxol-5-yl)-3-[(5-chlorothiophen-2-yl)carbonyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
登録日2012-12-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
4IBC
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BU of 4ibc by Molmil
Ebola virus VP35 bound to small molecule
分子名称: DIMETHYL SULFOXIDE, Polymerase cofactor VP35, {4-[(2R)-3-(2-chlorobenzoyl)-2-(2-chlorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid
著者Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K.
登録日2012-12-08
公開日2014-03-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.745 Å)
主引用文献In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.
J.Mol.Biol., 426, 2014
7MKT
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BU of 7mkt by Molmil
Crystal structure of r(GU)11G-NMM complex
分子名称: N-METHYLMESOPORPHYRIN, POTASSIUM ION, RNA (5'-R(*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*G)-3')
著者Bingman, C.A, Roschdi, S, Nomura, Y, Butcher, S.E.
登録日2021-04-26
公開日2022-11-02
最終更新日2023-02-08
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献An atypical RNA quadruplex marks RNAs as vectors for gene silencing.
Nat.Struct.Mol.Biol., 29, 2022
3FSM
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BU of 3fsm by Molmil
CRYSTAL STRUCTURE OF A CHEMICALLY SYNTHESIZED 203 AMINO ACID 'COVALENT DIMER' [L-Ala51,D-Ala51'] HIV-1 PROTEASE MOLECULE
分子名称: COVALENT DIMER [L-Ala51, D-Ala51'] HIV-1 PROTEASE, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
著者Torbeev, V.Y, Kent, S.B.H.
登録日2009-01-10
公開日2010-01-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HAU
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BU of 3hau by Molmil
Crystal structure of chemically synthesized HIV-1 protease with reduced isostere MVT-101 inhibitor
分子名称: HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION
著者Torbeev, V.Y, Kent, S.B.H.
登録日2009-05-02
公開日2011-04-27
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HAW
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BU of 3haw by Molmil
Crystal structure of [L-Ala51/51']HIV-1 protease with reduced isostere MVT-101 inhibitor
分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [L-Ala51/51']HIV-1 protease
著者Torbeev, V.Y, Kent, S.B.H.
登録日2009-05-02
公開日2011-04-27
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HBO
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BU of 3hbo by Molmil
Crystal structure of chemically synthesized [D-Ala51/51']HIV-1 protease
分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [D-Ala51/51']HIV-1 protease
著者Torbeev, V.Y, Kent, S.B.H.
登録日2009-05-04
公開日2010-05-26
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HDK
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BU of 3hdk by Molmil
Crystal structure of chemically synthesized [Aib51/51']HIV-1 protease
分子名称: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [Aib51/51']HIV-1 protease
著者Torbeev, V.Y, Kent, S.B.H.
登録日2009-05-07
公開日2010-04-28
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3HLO
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BU of 3hlo by Molmil
Crystal structure of chemically synthesized 'covalent dimer' [Gly51/D-Ala51']HIV-1 protease
分子名称: 'covalent dimer' [Gly51/D-Ala51'] HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide
著者Torbeev, V.Y, Kent, S.B.H.
登録日2009-05-27
公開日2011-07-27
最終更新日2012-12-12
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
7OPJ
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BU of 7opj by Molmil
Trypanosoma brucei PTR1 (TbPTR1) in complex with pyrimethamine
分子名称: 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, ACETATE ION, GLYCEROL, ...
著者Tassone, G, Landi, G, Pozzi, C, Mangani, S.
登録日2021-05-31
公開日2021-07-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Evidence of Pyrimethamine and Cycloguanil Analogues as Dual Inhibitors of Trypanosoma brucei Pteridine Reductase and Dihydrofolate Reductase.
Pharmaceuticals, 14, 2021
8TNS
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BU of 8tns by Molmil
Solution structure of poly(UG) RNA (GU)12 G-quadruplex
分子名称: RNA (5'-R(*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*UP*GP*U)-3')
著者Escobar, C.A, Petersen, R, Butcher, S.E.
登録日2023-08-02
公開日2023-11-15
最終更新日2024-05-15
実験手法SOLUTION NMR, SOLUTION SCATTERING
主引用文献Solution Structure of Poly(UG) RNA.
J.Mol.Biol., 435, 2023
2KJM
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BU of 2kjm by Molmil
Solution structure of SLBP RNA binding domain fragment
分子名称: Histone RNA hairpin-binding protein
著者Thapar, R.
登録日2009-06-03
公開日2010-06-09
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Interaction of the histone mRNA hairpin with stem-loop binding protein (SLBP) and regulation of the SLBP-RNA complex by phosphorylation and proline isomerization.
Biochemistry, 51, 2012
2EVN
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BU of 2evn by Molmil
NMR solution structures of At1g77540
分子名称: Protein At1g77540
著者Tyler, R.C, Singh, S, Tonelli, M, Min, M.S, Markley, J.L, Center for Eukaryotic Structural Genomics (CESG)
登録日2005-10-31
公開日2005-11-15
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Structure of Arabidopsis thaliana At1g77540 Protein, a Minimal Acetyltransferase from the COG2388 Family.
Biochemistry, 45, 2006
2GO9
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BU of 2go9 by Molmil
RRM domains 1 and 2 of Prp24 from S. cerevisiae
分子名称: U4/U6 snRNA-associated splicing factor PRP24
著者Reiter, N.J, Lee, D.H, Tonelli, M, Kwan, S.K, Brow, D.A, Butcher, S.E.
登録日2006-04-12
公開日2007-02-27
最終更新日2022-03-09
実験手法SOLUTION NMR
主引用文献Structure and interactions of the first three RNA recognition motifs of splicing factor prp24.
J.Mol.Biol., 367, 2007
2I7Z
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BU of 2i7z by Molmil
GAAA tetraloop receptor complex with associated manganese ions.
分子名称: 43-MER, MANGANESE (II) ION
著者Davis, J.H, Butcher, S.E.
登録日2006-08-31
公開日2007-04-03
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Role of metal ions in the tetraloop-receptor complex as analyzed by NMR.
Rna, 13, 2007

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