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3I5K
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Crystal structure of the NS5B polymerase from Hepatitis C Virus (HCV) strain JFH1
分子名称: PHOSPHATE ION, RNA-directed RNA polymerase
著者Simister, P.C, Schmitt, M, Lohmann, V, Bressanelli, S.
登録日2009-07-05
公開日2009-09-22
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and functional analysis of hepatitis C virus strain JFH1 polymerase
J.Virol., 83, 2009
1OAE
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BU of 1oae by Molmil
Crystal structure of the reduced form of cytochrome c" from Methylophilus methylotrophus
分子名称: CYTOCHROME C", GLYCEROL, HEME C, ...
著者Enguita, F.J, Grenha, R, Santos, H, Carrondo, M.A.
登録日2003-01-09
公開日2004-03-26
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural Evidence for a Proton Transfer Pathway Coupled with Haem Reduction of Cytochrome C" from Methylophilus Methylotrophus.
J.Biol.Inorg.Chem., 11, 2006
3I5N
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BU of 3i5n by Molmil
Crystal structure of c-Met with triazolopyridazine inhibitor 13
分子名称: 7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine, Hepatocyte growth factor receptor
著者Bellon, S.F, Whittington, D.A, Long, A.M, Boezio, A.A.
登録日2009-07-06
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and optimization of potent and selective triazolopyridazine series of c-Met inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
6DIU
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BU of 6diu by Molmil
Crystal structure of HCV NS3/4A protease in complex with P4-3(AJ-74)
分子名称: 1-methylcyclopentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, GLYCEROL, NS3 protease, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-05-23
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.868 Å)
主引用文献Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
2W0I
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BU of 2w0i by Molmil
Structure Of C-Terminal Actin Depolymerizing Factor Homology (Adf-H) Domain Of Human Twinfilin-2
分子名称: TWINFILIN-2
著者Elkins, J.M, Pike, A.C.W, Salah, E, Savitsky, P, Murray, J.W, Roos, A, von Delft, F, Edwards, A, Arrowsmith, C.H, Wikstrom, M, Bountra, C, Knapp, S.
登録日2008-08-18
公開日2008-09-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of C-Terminal Actin Depolymerizing Factor Homology (Adf-H) Domain of Human Twinfilin- 2
To be Published
6DIS
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BU of 6dis by Molmil
Crystal structure of HCV NS3/4A protease in complex with P4-1 (AJ-71)
分子名称: 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate, GLYCEROL, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-05-23
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.921 Å)
主引用文献Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
5OP0
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BU of 5op0 by Molmil
Structure of Prim-PolC from Mycobacterium smegmatis
分子名称: DNA polymerase LigD, polymerase domain
著者Brissett, N.C, Doherty, A.J.
登録日2017-08-09
公開日2017-11-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献DNA Ligase C and Prim-PolC participate in base excision repair in mycobacteria.
Nat Commun, 8, 2017
7DYV
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Human JMJD5 in complex with MN and 5-(benzylamino)pyridine-2,4-dicarboxylic acid.
分子名称: 5-(benzylamino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, MANGANESE (II) ION
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2021-01-23
公開日2022-02-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
J.Med.Chem., 66, 2023
6DIR
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BU of 6dir by Molmil
Crystal structure of HCV NS3/4A protease in complex with P4-P5-2 (AJ-67)
分子名称: (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5H)-carboxamide, NS3 protease, SULFATE ION, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-05-23
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.751 Å)
主引用文献Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
6DIV
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BU of 6div by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-2 (AJ-67)
分子名称: (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl cyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diaz acyclopentadecine-14a(5H)-carboxamide, GLYCEROL, NS3 protease, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-05-23
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
7DYW
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BU of 7dyw by Molmil
Human JMJD5 in complex with MN and 5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid.
分子名称: 5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, MANGANESE (II) ION
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2021-01-23
公開日2022-02-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
J.Med.Chem., 66, 2023
7DYT
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BU of 7dyt by Molmil
Human JMJD5 in complex with MN and 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid.
分子名称: 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, MANGANESE (II) ION
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2021-01-23
公開日2022-02-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
J.Med.Chem., 66, 2023
7DYX
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BU of 7dyx by Molmil
Human JMJD5 in complex with MN and 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid.
分子名称: 5-((2-cyclopropylbenzyl)amino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, MANGANESE (II) ION
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2021-01-23
公開日2022-02-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
J.Med.Chem., 66, 2023
7DYU
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BU of 7dyu by Molmil
Human JMJD5 in complex with MN and 5-((4-phenylbutyl)amino)pyridine-2,4-dicarboxylic acid.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid, Bifunctional peptidase and arginyl-hydroxylase JMJD5, ...
著者Nakashima, Y, Brewitz, L, Schofield, C.J.
登録日2021-01-23
公開日2022-02-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献5-Substituted Pyridine-2,4-dicarboxylate Derivatives Have Potential for Selective Inhibition of Human Jumonji-C Domain-Containing Protein 5.
J.Med.Chem., 66, 2023
5VOJ
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BU of 5voj by Molmil
Crystal structure of HCV NS3/4A protease in complex with JZ01-15, an analogue of 5172-mcP1P3
分子名称: NS4A cofactor -- NS3 protein chimera, SULFATE ION, ZINC ION, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2017-05-03
公開日2017-06-21
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants.
J. Med. Chem., 60, 2017
3NBS
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BU of 3nbs by Molmil
Crystal structure of dimeric cytochrome c from horse heart
分子名称: Cytochrome c, DI(HYDROXYETHYL)ETHER, HEME C, ...
著者Taketa, M, Komori, H, Hirota, S, Higuchi, Y.
登録日2010-06-04
公開日2010-07-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Cytochrome c polymerization by successive domain swapping at the C-terminal helix
Proc.Natl.Acad.Sci.USA, 107, 2010
6DIQ
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BU of 6diq by Molmil
Crystal structure of HCV NS3/4A protease in complex with P4-P5-1 (WK-23)
分子名称: GLYCEROL, NS3 protease, SULFATE ION, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-05-23
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
6DIW
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BU of 6diw by Molmil
Crystal structure of HCV NS3/4A D168A protease in complex with P4-1 (AJ-71)
分子名称: 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, 16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6- yl]carbamate, GLYCEROL, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-05-23
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
6DL0
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BU of 6dl0 by Molmil
Crystal structure of pohlianin C, an orbitide from Jatropha pohliana
分子名称: pohlianin C
著者Wang, C.K, King, G.J, Ramalho, S.D.
登録日2018-05-31
公開日2018-11-07
最終更新日2023-07-26
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Synthesis, Racemic X-ray Crystallographic, and Permeability Studies of Bioactive Orbitides from Jatropha Species.
J. Nat. Prod., 81, 2018
3ZOO
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BU of 3zoo by Molmil
Structure of the Y46F mutant of human cytochrome c
分子名称: CYTOCHROME C, HEME C, PHOSPHATE ION
著者Rajagopal, B.S, Worrall, J.A.R, Hough, M.A.
登録日2013-02-22
公開日2013-10-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献The Hydrogen Peroxide Induced Radical Behaviour in Human Cytochrome C Phospholipid Complexes: Implications for the Enhanced Pro-Apoptotic Activity of the G41S Mutant
Biochem.J., 456, 2013
6KKH
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BU of 6kkh by Molmil
Crystal structure of the oxalate bound malyl-CoA lyase from Roseiflexus castenholzii
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HpcH/HpaI aldolase, MAGNESIUM ION, ...
著者Tang, W.R, Wang, Z.G, Zhang, C.Y, Wang, C.
登録日2019-07-25
公開日2019-09-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献The C-terminal domain conformational switch revealed by the crystal structure of malyl-CoA lyase from Roseiflexus castenholzii.
Biochem.Biophys.Res.Commun., 518, 2019
3ZCF
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BU of 3zcf by Molmil
Structure of recombinant human cytochrome c
分子名称: CYTOCHROME C, HEME C
著者Rajagopal, B.S, Worrall, J.A.R, Hough, M.A.
登録日2012-11-20
公開日2013-10-23
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The Hydrogen Peroxide Induced Radical Behaviour in Human Cytochrome C Phospholipid Complexes: Implications for the Enhanced Pro-Apoptotic Activity of the G41S Mutant
Biochem.J., 456, 2013
4ZRL
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BU of 4zrl by Molmil
Structure of the non canonical Poly(A) polymerase complex GLD-2 - GLD-3
分子名称: CHLORIDE ION, Defective in germ line development protein 3, Poly(A) RNA polymerase gld-2
著者Nakel, K, Bonneau, F, Eckmann, C.R, Conti, E.
登録日2015-05-12
公開日2015-07-08
最終更新日2017-09-06
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Structural basis for the activation of the C. elegans noncanonical cytoplasmic poly(A)-polymerase GLD-2 by GLD-3.
Proc.Natl.Acad.Sci.USA, 112, 2015
6DIT
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BU of 6dit by Molmil
Crystal structure of HCV NS3/4A protease in complex with P4-2 (JZ01-19)
分子名称: NS3 protease, ZINC ION, pentyl [(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5, ...
著者Matthew, A.N, Schiffer, C.A.
登録日2018-05-23
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.789 Å)
主引用文献Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope
To Be Published
3ZIX
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Clostridium perfringens Enterotoxin with the N-terminal 37 residues deleted
分子名称: HEAT-LABILE ENTEROTOXIN B CHAIN, HEXAETHYLENE GLYCOL
著者Yelland, T, Naylor, C.E, Savva, C.G, Basak, A.K.
登録日2013-01-14
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a C. Perfringens Enterotoxin Mutant in Complex with a Modified Claudin-2 Extracellular Loop 2
J.Mol.Biol., 426, 2014

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