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5WDO
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BU of 5wdo by Molmil
H-Ras bound to GMP-PNP at 277K
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Cofsky, J.C, Bandaru, P, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
1DEG
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BU of 1deg by Molmil
THE LINKER OF DES-GLU84 CALMODULIN IS BENT AS SEEN IN THE CRYSTAL STRUCTURE
分子名称: CALCIUM ION, CALMODULIN
著者Raghunathan, S, Chandross, R, Cheng, B.P, Persechini, A, Sobottk, S.E, Kretsinger, R.H.
登録日1993-06-07
公開日1994-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The linker of des-Glu84-calmodulin is bent.
Proc.Natl.Acad.Sci.Usa, 90, 1993
1F12
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BU of 1f12 by Molmil
L-3-HYDROXYACYL-COA DEHYDROGENASE COMPLEXED WITH 3-HYDROXYBUTYRYL-COA
分子名称: 3-HYDROXYBUTANOYL-COENZYME A, L-3-HYDROXYACYL-COA DEHYDROGENASE
著者Barycki, J.J, O'Brien, L.K, Strauss, A.W, Banaszak, L.J.
登録日2000-05-18
公開日2000-09-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Sequestration of the active site by interdomain shifting. Crystallographic and spectroscopic evidence for distinct conformations of L-3-hydroxyacyl-CoA dehydrogenase.
J.Biol.Chem., 275, 2000
5WDS
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BU of 5wds by Molmil
Choanoflagellate Salpingoeca rosetta Ras with GDP bound
分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Kondo, Y, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
3BV2
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BU of 3bv2 by Molmil
Morpholino pyrrolotriazine P38 Alpha map kinase inhibitor compound 30
分子名称: 5-methyl-4-[(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)amino]-N-(1-phenylethenyl)pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2008-01-04
公開日2008-04-08
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
4G2Y
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BU of 4g2y by Molmil
Crystal structure of PDE5A complexed with its inhibitor
分子名称: 2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Ren, J, Chen, T.T, Xu, Y.C.
登録日2012-07-13
公開日2013-06-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
5WDQ
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BU of 5wdq by Molmil
H-Ras mutant L120A bound to GMP-PNP at 100K
分子名称: ACETATE ION, CALCIUM ION, GTPase HRas, ...
著者Bandaru, P, Gee, C.L, Kuriyan, J.
登録日2017-07-05
公開日2017-07-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Deconstruction of the Ras switching cycle through saturation mutagenesis.
Elife, 6, 2017
3BV3
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BU of 3bv3 by Molmil
Morpholino pyrrolotriazine P38 Alpha Map Kinase inhibitor compound 2
分子名称: 5-methyl-4-[(2-methyl-5-{[(3-morpholin-4-ylphenyl)carbonyl]amino}phenyl)amino]-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2008-01-04
公開日2008-04-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 18, 2008
2F8B
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BU of 2f8b by Molmil
NMR structure of the C-terminal domain (dimer) of HPV45 oncoprotein E7
分子名称: Protein E7, ZINC ION
著者Ohlenschlager, O, Gorlach, M.
登録日2005-12-02
公開日2006-08-08
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the partially folded high-risk human papilloma virus 45 oncoprotein E7.
Oncogene, 25, 2006
4G2W
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BU of 4g2w by Molmil
Crystal structure of PDE5A in complex with its inhibitor
分子名称: 5,6-diethyl-2-{5-[(4-methylpiperazin-1-yl)sulfonyl]-2-propoxyphenyl}pyrimidin-4(3H)-one, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
著者Ren, J, Chen, T.T, Xu, Y.C.
登録日2012-07-13
公開日2013-06-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5.
J.Med.Chem., 55, 2012
1OQD
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BU of 1oqd by Molmil
Crystal structure of sTALL-1 and BCMA
分子名称: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 17
著者Zhang, G.
登録日2003-03-07
公開日2003-05-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
1OQE
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BU of 1oqe by Molmil
Crystal structure of sTALL-1 with BAFF-R
分子名称: Tumor necrosis factor ligand superfamily member 13B, soluble form, Tumor necrosis factor receptor superfamily member 13C
著者Zhang, G.
登録日2003-03-07
公開日2003-05-13
最終更新日2018-01-31
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Ligand-receptor binding revealed by the TNF family member TALL-1.
Nature, 423, 2003
2EWL
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BU of 2ewl by Molmil
Solution structure of the C-terminal domain (monomer) of the HPV45 oncoprotein E7
分子名称: Protein E7, ZINC ION
著者Ohlenschlager, O, Gorlach, M.
登録日2005-11-04
公開日2006-10-17
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Solution structure of the partially folded high-risk human papilloma virus 45 oncoprotein E7.
Oncogene, 25, 2006
6KIA
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BU of 6kia by Molmil
NADH bound structure of FabMG, novel type of Enoyl-acyl carrier protein reductase
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Enoyl-acyl carrier protein reductase
著者Kim, S, Rhee, S.
登録日2019-07-17
公開日2020-05-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.59798265 Å)
主引用文献A triclosan-resistance protein from the soil metagenome is a novel enoyl-acyl carrier protein reductase: Structure-guided functional analysis.
Febs J., 287, 2020
6KI9
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BU of 6ki9 by Molmil
Apo structure of FabMG, novel types of Enoyl-acyl carrier protein reductase
分子名称: 1,2-ETHANEDIOL, FabMG, novel types of Enoyl-acyl carrier protein reductase, ...
著者Kim, S, Rhee, S.
登録日2019-07-17
公開日2020-05-20
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献A triclosan-resistance protein from the soil metagenome is a novel enoyl-acyl carrier protein reductase: Structure-guided functional analysis.
Febs J., 287, 2020
5J94
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BU of 5j94 by Molmil
Human cathepsin K mutant C25S in complex with the allosteric effector NSC13345
分子名称: 2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid, Cathepsin K, SULFATE ION
著者Novinec, M, Korenc, M, Lenarcic, B, Baici, A.
登録日2016-04-08
公開日2016-04-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.22002459 Å)
主引用文献A novel allosteric mechanism in the cysteine peptidase cathepsin K discovered by computational methods.
Nat Commun, 5, 2014
7RAR
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BU of 7rar by Molmil
Structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-07-02
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7VYQ
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BU of 7vyq by Molmil
Short chain dehydrogenase (SCR) cryoEM structure with NADP and ethyl 4-chloroacetoacetate
分子名称: Carbonyl Reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ethyl 4-chloranyl-3-oxidanylidene-butanoate
著者Li, Y.H, Zhang, R.Z, Wang, C, Forouhar, F, Clarke, O, Vorobiev, S, Singh, S, Montelione, G.T, Szyperski, T, Xu, Y, Hunt, J.F.
登録日2021-11-15
公開日2022-04-06
最終更新日2024-06-26
実験手法ELECTRON MICROSCOPY (3.13 Å)
主引用文献Oligomeric interactions maintain active-site structure in a noncooperative enzyme family.
Embo J., 41, 2022
7RJ2
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BU of 7rj2 by Molmil
Co-crystal structure of lenacapavir bound to Q67H/N74D mutant of disulfide stabilized HIV-1 CA hexamer
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-07-20
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RJ4
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BU of 7rj4 by Molmil
Co-crystal structure of lenacapavir bound to N74D mutant of disulfide stabilized HIV-1 CA hexamer
分子名称: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-07-20
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
2JYM
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BU of 2jym by Molmil
Solution structure of stem-loop alpha of the hepatitis B virus post-transcriptional regulatory element
分子名称: RNA (5'-R(*GP*GP*CP*UP*CP*GP*CP*AP*GP*CP*AP*GP*GP*UP*CP*UP*GP*GP*AP*GP*UP*C)-3')
著者Ohlenschlager, O, Gorlach, M, Schwalbe, M.
登録日2007-12-14
公開日2008-04-29
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of stem-loop alpha of the hepatitis B virus post-transcriptional regulatory element
Nucleic Acids Res., 36, 2008
7RHN
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BU of 7rhn by Molmil
Co-crystal structure of Q67H mutant of disulfide stabilized HIV-1 CA hexamer and lenacapavir
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-07-17
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RHM
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BU of 7rhm by Molmil
Structure of Q67H/N74D mutant of disulfide stabilized HIV-1 CA hexamer
分子名称: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-07-17
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RMJ
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BU of 7rmj by Molmil
Disulfide stabilized HIV-1 CA hexamer in complex with capsid inhibitor (S)-N-(1-(3-(4-chloro-3-(methylsulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamide
分子名称: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-07-27
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022
7RMM
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BU of 7rmm by Molmil
Structure of N74D mutant of disulfide stabilized HIV-1 CA hexamer
分子名称: CAPSID PROTEIN P24, CHLORIDE ION, IODIDE ION
著者Bester, S.M, Kvaratskhelia, M.
登録日2021-07-27
公開日2022-08-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structural and Mechanistic Bases of Viral Resistance to HIV-1 Capsid Inhibitor Lenacapavir.
Mbio, 13, 2022

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