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5EYC
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Crystal structure of c-Met in complex with naphthyridinone inhibitor 5
分子名称: 6-[(1~{R})-1-[8-fluoranyl-6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one, Hepatocyte growth factor receptor
著者Whittington, D.A, Long, A.M.
登録日2015-11-24
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of (R)-6-(1-(8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-3-(2-methoxyethoxy)-1,6-naphthyridin-5(6H)-one (AMG 337), a Potent and Selective Inhibitor of MET with High Unbound Target Coverage and Robust In Vivo Antitumor Activity.
J.Med.Chem., 59, 2016
4WF6
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Anthrax toxin lethal factor with bound small molecule inhibitor MK-31
分子名称: 1,2-ETHANEDIOL, Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide, ...
著者Maize, K.M, De la Mora-Rey, T, Finzel, B.C.
登録日2014-09-12
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6521 Å)
主引用文献Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
8T52
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HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with EKC-110
分子名称: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
著者Dinh, T, Kvaratskhelia, M.
登録日2023-06-12
公開日2024-06-19
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
4WOC
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Proteinase-K Post-Surface Acoustic Waves
分子名称: Proteinase K, SULFATE ION
著者French, J.B.
登録日2014-10-15
公開日2015-02-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Precise Manipulation and Patterning of Protein Crystals for Macromolecular Crystallography Using Surface Acoustic Waves.
Small, 11, 2015
5EYD
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Crystal structure of c-Met in complex with AMG 337
分子名称: 6-[(1~{R})-1-[8-fluoranyl-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one, Hepatocyte growth factor receptor
著者Whittington, D.A, Long, A.M.
登録日2015-11-24
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Discovery of (R)-6-(1-(8-Fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl)-3-(2-methoxyethoxy)-1,6-naphthyridin-5(6H)-one (AMG 337), a Potent and Selective Inhibitor of MET with High Unbound Target Coverage and Robust In Vivo Antitumor Activity.
J.Med.Chem., 59, 2016
8T5A
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HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with STP03-0404
分子名称: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
著者Dinh, T, Kvaratskhelia, M.
登録日2023-06-12
公開日2024-06-19
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
3K4E
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Puf3 RNA binding domain bound to Cox17 RNA 3' UTR recognition sequence site A
分子名称: RNA (5'-R(P*CP*UP*UP*GP*UP*AP*UP*AP*UP*A)-3'), mRNA-binding protein PUF3
著者Zhu, D, Stumpf, C.R, Krahn, J.M, Wickens, M, Hall, T.M.T.
登録日2009-10-05
公開日2009-10-27
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A 5' cytosine binding pocket in Puf3p specifies regulation of mitochondrial mRNAs.
Proc.Natl.Acad.Sci.USA, 106, 2009
3JPT
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Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-fluoro chloro methylene triphosphate
分子名称: 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E.
登録日2009-09-04
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
8V8E
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Room-temperature X-ray structure of SARS-CoV-2 main protease catalytic domain (residues 1-199-6H) in complex with ensitrelvir (ESV)
分子名称: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, peptide
著者Kovalevsky, A, Coates, L.
登録日2023-12-05
公開日2024-05-29
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Visualizing the Active Site Oxyanion Loop Transition Upon Ensitrelvir Binding and Transient Dimerization of SARS-CoV-2 Main Protease.
J.Mol.Biol., 436, 2024
3KJ1
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Mcl-1 in complex with Bim BH3 mutant I2dA
分子名称: ACETATE ION, Bcl-2-like protein 11, CHLORIDE ION, ...
著者Fire, E, Grant, R.A, Keating, A.E.
登録日2009-11-02
公開日2010-02-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.945 Å)
主引用文献Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
3KJ2
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Mcl-1 in complex with Bim BH3 mutant F4aE
分子名称: ACETATE ION, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
著者Fire, E, Grant, R.A, Keating, A.E.
登録日2009-11-02
公開日2010-02-16
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
3JPP
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Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-MonoMethyl Methylene triphosphate
分子名称: 2'-deoxy-5'-O-[(R)-hydroxy({(S)-hydroxy[(1R)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]guanosine, 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', ...
著者Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E.
登録日2009-09-04
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
8V44
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N-terminal truncation of CRISPR-associated DinG
分子名称: CasDinG
著者Hallmark, T, Jackson, R.N.
登録日2023-11-28
公開日2024-01-17
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The N-terminal domain of Type IV-A1 CRISPR-associated DinG is vulnerable to proteolysis.
MicroPubl Biol, 2024, 2024
3JPQ
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Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monoBromo methylene triphosphate
分子名称: 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E.
登録日2009-09-04
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
1C52
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THERMUS THERMOPHILUS CYTOCHROME-C552: A NEW HIGHLY THERMOSTABLE CYTOCHROME-C STRUCTURE OBTAINED BY MAD PHASING
分子名称: CYTOCHROME-C552, PROTOPORPHYRIN IX CONTAINING FE
著者Than, M.E, Hof, P, Huber, R, Bourenkov, G.P, Bartunik, H.D, Buse, G, Soulimane, T.
登録日1997-06-23
公開日1998-06-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Thermus thermophilus cytochrome-c552: A new highly thermostable cytochrome-c structure obtained by MAD phasing.
J.Mol.Biol., 271, 1997
8VFI
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Ternary DNA Polymerase Beta bound to DNA containing primer terminal FapydG base-paired with a dA
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ...
著者Oden, P.N, Ryan, B.J, Freudenthal, B.D.
登録日2023-12-21
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Biochemical and structural characterization of Fapy•dG replication by Human DNA polymerase beta.
Nucleic Acids Res., 52, 2024
8U7G
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Crystal structure of CIB_13 beta-galactosidase from Cuniculiplasma divulgatum
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CIB_13 Beta-galactosidase, GLYCEROL
著者Stogios, P.J.
登録日2023-09-15
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of CIB_13 beta-galactosidase from Cuniculiplasma divulgatum
To Be Published
8U7F
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Crystal structure of CIB_12 beta-galactosidase from Cuniculiplasma divulgatum
分子名称: CIB_12 Beta-galactosidase, GLYCEROL
著者Stogios, P.J, Skarina, T, Di Leo, R, Yakunin, A, Golyshin, P, Savchenko, A.
登録日2023-09-15
公開日2024-07-24
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of CIB_12 beta-galactosidase from Cuniculiplasma divulgatum
To Be Published
3JPO
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Ternary complex of DNA polymerase beta with a dideoxy terminated primer and 2'-deoxyguanosine 5'-beta, gamma-monochloromethylene triphosphate
分子名称: 5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DOC))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ...
著者Batra, V.K, Upton, J, Kashmerov, B, Beard, W.A, Wilson, S.H, Goodman, M.F, McKenna, C.E.
登録日2009-09-04
公開日2010-06-02
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Halogenated beta,gamma-Methylene- and Ethylidene-dGTP-DNA Ternary Complexes with DNA Polymerase beta: Structural Evidence for Stereospecific Binding of the Fluoromethylene Analogues.
J.Am.Chem.Soc., 132, 2010
5N85
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Structure of RPA70N in complex with PrimPol (fragment 514-525)
分子名称: DNA-directed primase/polymerase protein, Replication protein A 70 kDa DNA-binding subunit
著者Brissett, N.C, Doherty, A.J.
登録日2017-02-23
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular basis for PrimPol recruitment to replication forks by RPA.
Nat Commun, 8, 2017
8TQH
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MPI68 bound to Mpro of SARS-CoV-2
分子名称: 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide
著者Blankenship, L.R, Liu, W.R.
登録日2023-08-07
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献MPI68 bound to SARS-CoV-2 Mpro
To Be Published
8TQJ
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MPI57 bound to Mpro of SARS-CoV-2
分子名称: 3C-like proteinase nsp5, benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
著者Blankenship, L.R, Liu, W.R.
登録日2023-08-07
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献MPI57 bound to SARS-CoV-2 Mpro
To Be Published
8TQL
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MPI54 bound to Mpro of SARS-CoV-2
分子名称: 3C-like proteinase nsp5, benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate
著者Blankenship, L.R, Liu, W.R.
登録日2023-08-07
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献MPI54 bound to SARS-CoV-2 Mpro
To Be Published
8TQT
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MPI52 bound to Mpro of SARS-CoV-2
分子名称: (3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate, 3C-like proteinase nsp5
著者Blankenship, L.R, Liu, W.R.
登録日2023-08-08
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献MPI52 bound to SARS-CoV-2 Mpro
To Be Published
8TQU
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MPI51 bound to Mpro of SARS-CoV-2
分子名称: 3C-like proteinase nsp5, UAW247
著者Blankenship, L.R, Liu, W.R.
登録日2023-08-08
公開日2024-08-14
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献MPI51 bound to SARS-CoV-2 Mpro
To Be Published

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