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5AKD
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BU of 5akd by Molmil
MutS in complex with the N-terminal domain of MutL - crystal form 3
分子名称: DNA MISMATCH REPAIR PROTEIN MUTL, DNA MISMATCH REPAIR PROTEIN MUTS, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者Groothuizen, F.S, Winkler, I, Cristovao, M, Fish, A, Winterwerp, H.H.K, Reumer, A, Marx, A.D, Hermans, N, Nicholls, R.A, Murshudov, G.N, Lebbink, J.H.G, Friedhoff, P, Sixma, T.K.
登録日2015-03-03
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (7.6 Å)
主引用文献MutS/MutL crystal structure reveals that the MutS sliding clamp loads MutL onto DNA.
Elife, 4, 2015
4YLU
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BU of 4ylu by Molmil
X-ray structure of MERS-CoV nsp5 protease bound with a non-covalent inhibitor
分子名称: ACETATE ION, N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide, ORF1a protein
著者Tomar, S, Mesecar, A.D.
登録日2015-03-05
公開日2015-06-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Ligand-induced Dimerization of Middle East Respiratory Syndrome (MERS) Coronavirus nsp5 Protease (3CLpro): IMPLICATIONS FOR nsp5 REGULATION AND THE DEVELOPMENT OF ANTIVIRALS.
J.Biol.Chem., 290, 2015
7MWX
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BU of 7mwx by Molmil
Structure of the core ectodomain of the hepatitis C virus envelope glycoprotein 2 with tamarin CD81
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy Chain, ...
著者Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J.
登録日2021-05-17
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.32 Å)
主引用文献Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
7MWS
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BU of 7mws by Molmil
Crystal structure of tamarin CD81 large extracellular loop
分子名称: CD81 protein, GLYCEROL, TETRAETHYLENE GLYCOL
著者Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J.
登録日2021-05-17
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
5D5S
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BU of 5d5s by Molmil
Crystal structure of methionine gamma-lyase from Citrobacter freundii, S339A mutant
分子名称: DI(HYDROXYETHYL)ETHER, Methionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, ...
著者Revtovich, S.V, Nikulin, A.D, Anufrieva, N.V, Morozova, E.A, Demidkina, T.V.
登録日2015-08-11
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The crystal structure of methionine gamma-lyase from Citrobacter freundii, S339A mutant
To Be Published
7MWW
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BU of 7mww by Molmil
Structure of hepatitis C virus envelope full-length glycoprotein 2 (eE2) from J6 genotype
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2A12 Fab Heavy chain, ...
著者Kumar, A, Hossain, R.A, Yost, S.A, Bu, W, Wang, Y, Dearborn, A.D, Grakoui, A, Cohen, J.I, Marcotrigiano, J.
登録日2021-05-17
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Structural insights into hepatitis C virus receptor binding and entry.
Nature, 598, 2021
7NBA
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BU of 7nba by Molmil
Plasmodium falciparum kinesin-5 motor domain bound to AMPPNP, complexed with 14 protofilament microtubule.
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Kinesin motor domain-containing protein,Kinesin motor domain-containing protein, MAGNESIUM ION, ...
著者Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition.
J.Biol.Chem., 297, 2021
7NB8
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BU of 7nb8 by Molmil
Plasmodium falciparum kinesin-5 motor domain without nucleotide, complexed with 14 protofilament microtubule.
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Kinesin-5, MAGNESIUM ION, ...
著者Cook, A.D, Roberts, A, Atherton, J, Tewari, R, Topf, M, Moores, C.A.
登録日2021-01-25
公開日2021-10-13
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Cryo-EM structure of a microtubule-bound parasite kinesin motor and implications for its mechanism and inhibition.
J.Biol.Chem., 297, 2021
5DBV
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BU of 5dbv by Molmil
Structure of a C269A mutant of propionaldehyde dehydrogenase from the Clostridium phytofermentans fucose utilisation bacterial microcompartment
分子名称: ACETATE ION, Aldehyde Dehydrogenase, COENZYME A, ...
著者Tuck, L.R, Altenbach, K, Ang, T.F, Crawshaw, A.D, Campopiano, D.J, Clarke, D.J, Marles-Wright, J.
登録日2015-08-22
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Insight into Coenzyme A cofactor binding and the mechanism of acyl-transfer in an acylating aldehyde dehydrogenase from Clostridium phytofermentans.
Sci Rep, 6, 2016
5KWH
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BU of 5kwh by Molmil
Crystal structure of CK2
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Ferguson, A.D.
登録日2016-07-18
公開日2017-10-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal structure of CK2
To Be Published
4G9K
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BU of 4g9k by Molmil
Structure of the Ndi1 protein from Saccharomyces cerevisiae
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Rotenone-insensitive NADH-ubiquinone oxidoreductase
著者Iwata, M, Lee, Y, Yamashita, T, Yagi, T, Iwata, S, Cameron, A.D, Maher, M.J.
登録日2012-07-24
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The structure of the yeast NADH dehydrogenase (Ndi1) reveals overlapping binding sites for water- and lipid-soluble substrates.
Proc.Natl.Acad.Sci.USA, 109, 2012
5KU8
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BU of 5ku8 by Molmil
Crystal structure of CK2
分子名称: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ...
著者Ferguson, A.D, Dowling, J.
登録日2016-07-13
公開日2017-11-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Crystal structure of CK2
Not Published
4YFX
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BU of 4yfx by Molmil
Escherichia coli RNA polymerase in complex with Myxopyronin B
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S.
登録日2015-02-25
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.844 Å)
主引用文献X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein.
J.Med.Chem., 58, 2015
4GAP
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BU of 4gap by Molmil
Structure of the Ndi1 protein from Saccharomyces cerevisiae in complex with NAD+
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Rotenone-insensitive NADH-ubiquinone oxidoreductase
著者Iwata, M, Lee, Y, Yamashita, T, Yagi, T, Iwata, S, Cameron, A.D, Maher, M.J.
登録日2012-07-25
公開日2012-09-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The structure of the yeast NADH dehydrogenase (Ndi1) reveals overlapping binding sites for water- and lipid-soluble substrates.
Proc.Natl.Acad.Sci.USA, 109, 2012
4YFK
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BU of 4yfk by Molmil
Escherichia coli RNA polymerase in complex with squaramide compound 8.
分子名称: 3,5-dimethyl-N-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
著者Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S.
登録日2015-02-25
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.571 Å)
主引用文献X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein.
J.Med.Chem., 58, 2015
4YPT
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BU of 4ypt by Molmil
X-ray structural of three tandemly linked domains of nsp3 from murine hepatitis virus at 2.60 Angstroms resolution
分子名称: GLYCEROL, Replicase polyprotein 1ab, ZINC ION
著者Chen, Y, Savinov, S.N, Mielech, A.M, Cao, T, Baker, S.C, Mesecar, A.D.
登録日2015-03-13
公開日2015-08-26
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6009 Å)
主引用文献X-ray Structural and Functional Studies of the Three Tandemly Linked Domains of Non-structural Protein 3 (nsp3) from Murine Hepatitis Virus Reveal Conserved Functions.
J.Biol.Chem., 290, 2015
4YFN
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BU of 4yfn by Molmil
Escherichia coli RNA polymerase in complex with squaramide compound 14 (N-[3,4-dioxo-2-(4-{[4-(trifluoromethyl)benzyl]amino}piperidin-1-yl)cyclobut-1-en-1-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide)
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S.
登録日2015-02-25
公開日2015-03-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.817 Å)
主引用文献X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein.
J.Med.Chem., 58, 2015
7N0M
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BU of 7n0m by Molmil
Inactivated state of 2-APB-bound wildtype rat TRPV2 in nanodiscs
分子名称: 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2
著者Pumroy, R.A, Protopopova, A.D, Gallo, P.N, Moiseenkova-Bell, V.Y.
登録日2021-05-25
公開日2022-05-04
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural insights into TRPV2 activation by small molecules.
Nat Commun, 13, 2022
7N0N
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BU of 7n0n by Molmil
Activated state of 2-APB-bound wildtype rat TRPV2 in nanodiscs
分子名称: Transient receptor potential cation channel subfamily V member 2
著者Pumroy, R.A, Protopopova, A.D, Gallo, P.N, Moiseenkova-Bell, V.Y.
登録日2021-05-25
公開日2022-05-04
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.15 Å)
主引用文献Structural insights into TRPV2 activation by small molecules.
Nat Commun, 13, 2022
4DMX
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BU of 4dmx by Molmil
Cathepsin K inhibitor
分子名称: (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, Cathepsin K, GLYCEROL
著者Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M.
登録日2012-02-08
公開日2012-07-11
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
4DMY
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BU of 4dmy by Molmil
Cathepsin K inhibitor
分子名称: (1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide, Cathepsin K, GLYCEROL, ...
著者Dossetter, A.G, Beeley, H, Bowyer, J, Cook, C.R, Crawford, J.J, Finlayson, J.E, Heron, N.M, Heyes, C, Highton, A.J, Hudson, J.A, Kenny, P.W, Martin, S, MacFaul, P.A, McGuire, T.M, Gutierrez, P.M, Morley, A.D, Morris, J.J, Page, K.M, Rosenbrier Ribeiro, L, Sawney, H, Steinbacher, S, Krapp, S, Jestel, A, Smith, C, Vickers, M.
登録日2012-02-08
公開日2012-07-11
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献(1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.
J.Med.Chem., 55, 2012
4Z4Y
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BU of 4z4y by Molmil
Crystal structure of GII.10 P domain in complex with 7.5mM B antigen (trisaccharide)
分子名称: 1,2-ETHANEDIOL, Capsid protein, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]alpha-D-galactopyranose
著者Leuthold, M.M, Koromyslova, A.D, Hansman, G.S.
登録日2015-04-02
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.797 Å)
主引用文献The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
4Z4S
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BU of 4z4s by Molmil
Crystal structure of GII.10 P domain in complex with 150mM fucose
分子名称: 1,2-ETHANEDIOL, Capsid protein, NITRATE ION, ...
著者Koromyslova, A.D, Leuthold, M.M, Hansman, G.S.
登録日2015-04-02
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
4Z4V
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BU of 4z4v by Molmil
Crystal structure of GII.10 P domain in complex with 19mM fucose
分子名称: 1,2-ETHANEDIOL, Capsid protein, NITRATE ION, ...
著者Koromyslova, A.D, Leuthold, M.M, Hansman, G.S.
登録日2015-04-02
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
4Z4W
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BU of 4z4w by Molmil
Crystal structure of GII.10 P domain in complex with 4.7mM fucose
分子名称: 1,2-ETHANEDIOL, Capsid protein, beta-L-fucopyranose
著者Koromyslova, A.D, Leuthold, M.M, Hansman, G.S.
登録日2015-04-02
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015

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