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5IIZ
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BU of 5iiz by Molmil
Xanthomonas campestris Peroxiredoxin Q - Structure F0
分子名称: Bacterioferritin comigratory protein, SODIUM ION
著者Perkins, A, Parsonage, D, Nelson, K.J, Poole, L.B, Karplus, A.
登録日2016-03-01
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Peroxiredoxin Catalysis at Atomic Resolution.
Structure, 24, 2016
5AO1
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BU of 5ao1 by Molmil
Crystal structure of human SAMHD1 (amino acid residues 115-583) bound to ddGTP
分子名称: 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DEOXYNUCLEOSIDE TRIPHOSPHATE TRIPHOSPHOHYDROLASE SAMHD1, FE (III) ION, ...
著者Schwefel, D, Taylor, I.A.
登録日2015-09-09
公開日2015-10-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.545 Å)
主引用文献Phospho-Dependent Regulation of Samhd1 Oligomerisation Couples Catalysis and Restriction.
Plos Pathog., 11, 2015
3VT0
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BU of 3vt0 by Molmil
Crystal structure of Ct1,3Gal43A in complex with lactose
分子名称: GLYCEROL, Ricin B lectin, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Jiang, D, Fan, J, Wang, X, Zhao, Y, Huang, B, Zhang, X.C.
登録日2012-05-18
公開日2012-12-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.913 Å)
主引用文献Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
5AQV
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BU of 5aqv by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5BPT
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BU of 5bpt by Molmil
Atomic-resolution structures of the APC/C subunits Apc4 and the Apc5 N-terminal domain
分子名称: MGC81278 protein
著者Cronin, N, Yang, J, Zhang, Z, Barford, D.
登録日2015-05-28
公開日2015-09-02
最終更新日2015-10-07
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Atomic-Resolution Structures of the APC/C Subunits Apc4 and the Apc5 N-Terminal Domain.
J.Mol.Biol., 427, 2015
5AQJ
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BU of 5aqj by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 9H-purine-6,8-diamine, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5BNK
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BU of 5bnk by Molmil
Crystal structure of T75C mutant of Triosephosphate isomerase from Plasmodium falciparum
分子名称: 1,2-ETHANEDIOL, SODIUM ION, Triosephosphate isomerase
著者Bandyopadhyay, D, Murthy, M.R.N, Balaram, H, Balaram, P.
登録日2015-05-26
公開日2015-07-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Probing the role of highly conserved residues in triosephosphate isomerase - analysis of site specific mutants at positions 64 and 75 in the Plasmodial enzyme
Febs J., 282, 2015
6IWH
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BU of 6iwh by Molmil
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with C14-GGGI lipopeptide
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, C14-GGGI lipopeptide, ...
著者Yamamoto, Y, Morita, D, Sugita, M.
登録日2018-12-05
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification and Structure of an MHC Class I-Encoded Protein with the Potential to PresentN-Myristoylated 4-mer Peptides to T Cells.
J Immunol., 202, 2019
5BPP
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BU of 5bpp by Molmil
Structure of human Leukotriene A4 hydrolase in complex with inhibitor 4AZ
分子名称: 2-(4-butoxyphenyl)-N-hydroxyacetamide, ACETATE ION, Leukotriene A-4 hydrolase, ...
著者Huang, J, Dong, N.N, Xiao, Q, Ou, P.Y, Wu, D, Lu, W.Q.
登録日2015-05-28
公開日2016-08-10
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Bufexamac ameliorates LPS-induced acute lung injury in mice by targeting LTA4H
Sci Rep, 6, 2016
5ZIU
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BU of 5ziu by Molmil
Crystal structure of human Entervirus D68 RdRp
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, RdRp
著者Wang, M.L, Zhang, Y, Chen, Y.P, Lu, D.R, Jiang, H, Chen, Y.J, Li, L, Zhang, C.H, Shi, Q.L, Su, D.
登録日2018-03-17
公開日2019-04-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.147 Å)
主引用文献Crystal structure of human Entervirus D68 RdRp in complex with NADPH
To Be Published
5BPM
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BU of 5bpm by Molmil
Crystal structure of unhydrolyzed ATP bound human Hsp70 NBD double mutant E268Q+R272K.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
著者Narayanan, D, Engh, R.A.
登録日2015-05-28
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Nucleotide binding to variants of the HSP70-NBD.
To Be Published
5BPZ
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BU of 5bpz by Molmil
Atomic-resolution structures of the APC/C subunits Apc4 and the Apc5 N-terminal domain
分子名称: 1,2-ETHANEDIOL, Anapc5 protein
著者Cronin, N, Yang, J, Zhang, Z, Barford, D.
登録日2015-05-28
公開日2015-09-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Atomic-Resolution Structures of the APC/C Subunits Apc4 and the Apc5 N-Terminal Domain.
J.Mol.Biol., 427, 2015
5ZNI
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BU of 5zni by Molmil
Plasmodium falciparum purine nucleoside phosphorylase in complex with mefloquine
分子名称: Mefloquine, PHOSPHATE ION, Purine nucleoside phosphorylase
著者Chen, D, Nordlund, P, Dziekan, J.M.
登録日2018-04-09
公開日2019-01-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identifying purine nucleoside phosphorylase as the target of quinine using cellular thermal shift assay.
Sci Transl Med, 11, 2019
5IWO
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BU of 5iwo by Molmil
Bacterial sodium channel pore domain, low bromide
分子名称: BROMIDE ION, Ion transport protein
著者Shaya, D, Findeisen, F, Rohaim, A, Minor, D.L.
登録日2016-03-22
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.33 Å)
主引用文献Unfolding of a Temperature-Sensitive Domain Controls Voltage-Gated Channel Activation.
Cell, 164, 2016
5IU0
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BU of 5iu0 by Molmil
Rubisco from Arabidopsis thaliana
分子名称: 1,2-ETHANEDIOL, 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, ...
著者Valegaard, K, Hasse, D, Gunn, L, Andersson, I.
登録日2016-03-17
公開日2017-07-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Structure of Rubisco from Arabidopsis thaliana in complex with 2-carboxyarabinitol-1,5-bisphosphate.
Acta Crystallogr D Struct Biol, 74, 2018
5IYT
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BU of 5iyt by Molmil
Complex structure of EV-B93 main protease 3C with N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-2Z-butenamide
分子名称: EV-B93 main protease 3C, N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-butanamide
著者Kaczmarska, Z, Becker, D, Rademann, J, Coll, M.
登録日2016-03-24
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Irreversible inhibitors of the 3C protease of Coxsackie virus through templated assembly of protein-binding fragments.
Nat Commun, 7, 2016
5AQN
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BU of 5aqn by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
8QEB
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BU of 8qeb by Molmil
S. cerevisia Niemann-Pick type C protein NCR1 in GDN at pH 7.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ERGOSTEROL, ...
著者Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B.
登録日2023-08-31
公開日2023-10-18
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
6J8G
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BU of 6j8g by Molmil
Structure of human voltage-gated sodium channel Nav1.7 in complex with auxiliary beta subunits, huwentoxin-IV and saxitoxin (Y1755 up)
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, Sodium channel protein type 9 subunit alpha, ...
著者Shen, H, Liu, D, Lei, J, Yan, N.
登録日2019-01-19
公開日2019-02-27
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structures of human Nav1.7 channel in complex with auxiliary subunits and animal toxins.
Science, 363, 2019
5J0I
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De novo design of protein homo-oligomers with modular hydrogen bond network-mediated specificity
分子名称: Designed protein 2L6HC3_12
著者Sankaran, B, Zwart, P.H, Pereira, J.H, Baker, D, Boyken, S, Chen, Z, Groves, B, Langan, R.A, Oberdorfer, G, Ford, A, Gilmore, J, Xu, C, DiMaio, F, Seelig, G.
登録日2016-03-28
公開日2016-05-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.202 Å)
主引用文献De novo design of protein homo-oligomers with modular hydrogen-bond network-mediated specificity.
Science, 352, 2016
5ZQN
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BU of 5zqn by Molmil
Crystal structure of Mycobacterium tuberculosis HisB in complex with a ligand
分子名称: (2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate, CHLORIDE ION, Imidazoleglycerol-phosphate dehydratase, ...
著者Kumar, D, Pal, R.K, Biswal, B.K.
登録日2018-04-19
公開日2018-05-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Characterization of a triazole scaffold compound as an inhibitor of Mycobacterium tuberculosis imidazoleglycerol-phosphate dehydratase.
Proteins, 2021
8QED
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BU of 8qed by Molmil
S. cerevisia Niemann-Pick type C protein NCR1 in LMNG at pH 5.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ERGOSTEROL, NPC intracellular sterol transporter 1-related protein 1, ...
著者Frain, K.M, Nel, L, Dedic, E, Olesen, E, Stokes, D, Panyella Pedersen, B.
登録日2023-08-31
公開日2023-10-18
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
8QEC
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S. cerevisia Niemann-Pick type C protein NCR1 in GDN at pH 5.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]methyl}-4-{[(3beta,9beta,14beta,17beta,25R)-spirost-5-en-3-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside, CHOLESTEROL HEMISUCCINATE, ...
著者Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B.
登録日2023-08-31
公開日2023-10-18
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
8QEE
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S. cerevisia Niemann-Pick type C protein NCR1 in Peptidisc at pH 7.5
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, CHOLESTEROL HEMISUCCINATE, ...
著者Frain, K.M, Dedic, E, Nel, L, Olesen, E, Stokes, D, Panyella Pedersen, B.
登録日2023-08-31
公開日2023-10-18
最終更新日2024-04-17
実験手法ELECTRON MICROSCOPY (2.43 Å)
主引用文献Conformational changes in the Niemann-Pick type C1 protein NCR1 drive sterol translocation.
Proc.Natl.Acad.Sci.USA, 121, 2024
4MB9
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Structure of Streptococcus pneumonia ParE in complex with AZ13102335
分子名称: 1-ethyl-3-{6-(pyrimidin-5-yl)-5-[(3R)-tetrahydrofuran-3-ylmethoxy][1,3]thiazolo[5,4-b]pyridin-2-yl}urea, DNA topoisomerase IV, B subunit, ...
著者Ogg, D, Tucker, J.
登録日2013-08-19
公開日2013-10-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Thiazolopyridine Ureas as Novel Antitubercular Agents Acting through Inhibition of DNA Gyrase B.
J.Med.Chem., 56, 2013

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