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6YXI
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Structure of Notum in complex with a 1-(3-Chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid inhibitor
分子名称: 1,2-ETHANEDIOL, 1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Vecchia, L, Jones, E.Y, Ruza, R.R, Hillier, J, Zhao, Y.
登録日2020-05-01
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity.
J.Med.Chem., 63, 2020
3B8W
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BU of 3b8w by Molmil
Crystal structure of Escherichia coli alaine racemase mutant E221P
分子名称: Alanine racemase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION
著者Wu, D, Hu, T, Zhang, L, Jiang, H, Shen, X.
登録日2007-11-02
公開日2008-07-08
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Residues Asp164 and Glu165 at the substrate entryway function potently in substrate orientation of alanine racemase from E. coli: Enzymatic characterization with crystal structure analysis
Protein Sci., 17, 2008
6YXU
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BU of 6yxu by Molmil
Structure of Mycobacterium smegmatis HelD protein in complex with RNA polymerase core - State I, primary channel engaged
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Kouba, T, Koval, T, Krasny, L, Dohnalek, J.
登録日2020-05-03
公開日2020-11-04
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Mycobacterial HelD is a nucleic acids-clearing factor for RNA polymerase.
Nat Commun, 11, 2020
6Z1D
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BU of 6z1d by Molmil
Crystal structure of the AAA domain of Rubisco Activase from Nostoc sp. (strain PCC 7120), Gadolinium complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GADOLINIUM ATOM, ...
著者Popilka, L, Bracher, A.
登録日2020-05-13
公開日2020-09-23
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.705 Å)
主引用文献Dual Functions of a Rubisco Activase in Metabolic Repair and Recruitment to Carboxysomes.
Cell, 183, 2020
6Z1F
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BU of 6z1f by Molmil
CryoEM structure of Rubisco Activase with its substrate Rubisco from Nostoc sp. (strain PCC7120)
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Wang, H, Bracher, A, Flecken, M, Popilka, L, Hartl, F.U, Hayer-Hartl, M.
登録日2020-05-13
公開日2020-09-23
最終更新日2021-04-07
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Dual Functions of a Rubisco Activase in Metabolic Repair and Recruitment to Carboxysomes.
Cell, 183, 2020
3B8A
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BU of 3b8a by Molmil
Crystal structure of yeast hexokinase PI in complex with glucose
分子名称: Hexokinase-1, SULFATE ION, beta-D-glucopyranose
著者Kuser, P, Cupri, F, Bleicher, L, Polikarpov, I.
登録日2007-10-31
公開日2008-02-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of yeast hexokinase PI in complex with glucose: A classical "induced fit" example revised.
Proteins, 72, 2008
3SJV
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BU of 3sjv by Molmil
Crystal structure of the RL42 TCR in complex with HLA-B8-FLR
分子名称: Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ...
著者Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
登録日2011-06-22
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
2W40
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BU of 2w40 by Molmil
Crystal structure of Plasmodium falciparum glycerol kinase with bound glycerol
分子名称: 1,2-ETHANEDIOL, GLYCEROL, GLYCEROL KINASE, ...
著者Schnick, C, Polley, S.D, Fivelman, Q.L, Ranford-Cartwright, L, Wilkinson, S.R, Brannigan, J.A, Wilkinson, A.J, Baker, D.A.
登録日2008-11-18
公開日2008-12-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structure and Non-Essential Function of Glycerol Kinase in Plasmodium Falciparum Blood Stages.
Mol.Microbiol., 71, 2009
3BIQ
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BU of 3biq by Molmil
Crystal structure of yeast Spt16 N-terminal Domain
分子名称: FACT complex subunit SPT16, GLYCEROL
著者VanDemark, A.P, Xin, H, McCullough, L, Rawlins, R, Bentley, S, Heroux, A, David, S.J, Hill, C.P, Formosa, T.
登録日2007-11-30
公開日2007-12-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Structural and functional analysis of the Spt16p N-terminal domain reveals overlapping roles of yFACT subunits.
J.Biol.Chem., 283, 2008
2W4Y
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BU of 2w4y by Molmil
Caulobacter bacteriophage 5 - virus-like particle
分子名称: ADENOSINE MONOPHOSPHATE, CALCIUM ION, CAULOBACTER 5 VIRUS-LIKE PARTICLE
著者Plevka, P, Kazaks, A, Dishlers, A, Liljas, L, Tars, K.
登録日2008-12-02
公開日2009-07-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The Structure of Bacteriophage Phicb5 Reveals a Role of the RNA Genome and Metal Ions in Particle Stability and Assembly.
J.Mol.Biol., 391, 2009
3BDR
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BU of 3bdr by Molmil
Crystal structure of fatty acid-binding protein-like Ycf58 from Thermosynecoccus elongatus. Northeast Structural Genomics Consortium target TeR13.
分子名称: PHOSPHATE ION, Ycf58 protein
著者Kuzin, A.P, Su, M, Seetharaman, J, Forouhar, F, Wang, D, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-11-15
公開日2007-11-27
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of fatty acid-binding protein-like Ycf58 from Thermosynecoccus elongatus.
To be Published
6Z96
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BU of 6z96 by Molmil
[4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz) soaked with 4-thiouracil (12.65 keV, 7.125 keV (Fe-SAD) and 6.5 keV (S-SAD) data)
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, HYDROSULFURIC ACID, ...
著者Pecqueur, L, Zhou, J, Fontecave, M, Golinelli-Pimpaneau, B.
登録日2020-06-03
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.327 Å)
主引用文献Structural Evidence for a [4Fe-5S] Intermediate in the Non-Redox Desulfuration of Thiouracil.
Angew.Chem.Int.Ed.Engl., 60, 2021
3BEW
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BU of 3bew by Molmil
10mer Crystal Structure of chicken MHC class I haplotype B21
分子名称: 10-mer from Tubulin beta-6 chain, Beta-2-microglobulin, Major histocompatibility complex class I glycoprotein haplotype B21
著者Koch, M, Camp, S, Collen, T, Avila, D, Salomonsen, J, Wallny, H.J, van Hateren, A, Hunt, L, Jacob, J.P, Johnston, F, Marston, D.A, Shaw, I, Dunbar, P.R, Cerundolo, V, Jones, E.Y, Kaufman, J.
登録日2007-11-20
公開日2008-01-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of an MHC class I molecule from b21 chickens illustrate promiscuous Peptide binding
Immunity, 27, 2007
3SKN
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BU of 3skn by Molmil
Crystal structure of the RL42 TCR unliganded
分子名称: RL42 T cell receptor, alpha chain, beta chain
著者Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
登録日2011-06-22
公開日2012-02-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
3BFB
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BU of 3bfb by Molmil
Crystal structure of a pheromone binding protein from Apis mellifera in complex with the 9-keto-2(E)-decenoic acid
分子名称: (2Z)-9-oxodec-2-enoic acid, CHLORIDE ION, GLYCEROL, ...
著者Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
登録日2007-11-21
公開日2008-06-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural basis of the honey bee PBP pheromone and pH-induced conformational change
J.Mol.Biol., 380, 2008
6YU5
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BU of 6yu5 by Molmil
Crystal structure of MhsT in complex with L-valine
分子名称: DODECYL-BETA-D-MALTOSIDE, SODIUM ION, Sodium-dependent transporter, ...
著者Focht, D, Neumann, C, Lyons, J, Eguskiza Bilbao, A, Blunck, R, Malinauskaite, L, Schwarz, I.O, Javitch, J.A, Quick, M, Nissen, P.
登録日2020-04-25
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A non-helical region in transmembrane helix 6 of hydrophobic amino acid transporter MhsT mediates substrate recognition.
Embo J., 40, 2021
6YUN
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BU of 6yun by Molmil
1.45 Angstrom Resolution Crystal Structure of C-terminal Dimerization Domain of Nucleocapsid Phosphoprotein from SARS-CoV-2
分子名称: Nucleoprotein
著者Zinzula, L, Basquin, J, Nagy, I, Bracher, A.
登録日2020-04-27
公開日2020-05-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献High-resolution structure and biophysical characterization of the nucleocapsid phosphoprotein dimerization domain from the Covid-19 severe acute respiratory syndrome coronavirus 2.
Biochem.Biophys.Res.Commun., 538, 2021
3B7H
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BU of 3b7h by Molmil
Crystal structure of the prophage Lp1 protein 11
分子名称: Prophage Lp1 protein 11
著者Zhang, R, Zhou, M, Keigher, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2007-10-30
公開日2007-12-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of the prophage Lp1 protein 11.
To be Published
3BG8
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BU of 3bg8 by Molmil
Crystal structure of Factor XIa in complex with Clavatadine A
分子名称: BENZAMIDINE, Coagulation factor XIa light chain, N-(4-carbamimidamidobutyl)ethanamide, ...
著者Xue, Y, Oster, L.
登録日2007-11-26
公開日2008-12-09
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Clavatadine A, a natural product with selective recognition and irreversible inhibition of factor XIa.
J.Med.Chem., 51, 2008
6Z93
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BU of 6z93 by Molmil
[4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
著者Pecqueur, L, Zhou, J, Fontecave, M, Golinelli-Pimpaneau, B.
登録日2020-06-03
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.505 Å)
主引用文献Structural Evidence for a [4Fe-5S] Intermediate in the Non-Redox Desulfuration of Thiouracil.
Angew.Chem.Int.Ed.Engl., 60, 2021
3BHT
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BU of 3bht by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor meriolin 3
分子名称: 4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, Cell division protein kinase 2, Cyclin-A2, ...
著者Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L.
登録日2007-11-29
公開日2008-02-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
6Z1G
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BU of 6z1g by Molmil
CryoEM structure of the interaction between Rubisco Activase small-subunit-like (SSUL) domain with Rubisco from Nostoc sp. (strain PCC7120)
分子名称: Ribulose bisphosphate carboxylase large chain, Ribulose bisphosphate carboxylase small chain, Ribulose bisphosphate carboxylase/oxygenase activase
著者Wang, H, Bracher, A, Flecken, M, Popilka, L, Hartl, F.U, Hayer-Hartl, M.
登録日2020-05-13
公開日2020-09-23
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (8.2 Å)
主引用文献Dual Functions of a Rubisco Activase in Metabolic Repair and Recruitment to Carboxysomes.
Cell, 183, 2020
6Z1Q
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BU of 6z1q by Molmil
MAP3K14 (NIK) in complex with DesF-3R/4076
分子名称: DesF-3R/4076, Mitogen-activated protein kinase kinase kinase 14
著者Jacoby, E, van Vlijmen, H, Querolle, O, Stansfield, I, Meerpoel, L, Versele, M, Hynd, G, Attar, R.
登録日2020-05-14
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献FEP+ calculations predict a stereochemical SAR switch for first-in-class indoline NIK inhibitors for multiple myeloma
Future Drug Discov, 2, 2020
6ZCO
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BU of 6zco by Molmil
Crystal Structure of C-terminal Dimerization Domain of Nucleocapsid Phosphoprotein from SARS-CoV-2, crystal form II
分子名称: Nucleoprotein
著者Zinzula, L, Basquin, J, Nagy, I, Bracher, A.
登録日2020-06-11
公開日2020-07-01
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.361 Å)
主引用文献High-resolution structure and biophysical characterization of the nucleocapsid phosphoprotein dimerization domain from the Covid-19 severe acute respiratory syndrome coronavirus 2.
Biochem.Biophys.Res.Commun., 538, 2021
6ZDM
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BU of 6zdm by Molmil
Crystal structure of human heparanase in complex with a N',6O'-bis-sulfated 4-methylumbelliferyl heparan sulfate disaccharide
分子名称: (2~{S},3~{S},4~{R},5~{R},6~{S})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-4,5-bis(oxidanyl)-3-(sulfoamino)-6-(sulfooxymethyl)oxan-2-yl]oxy-6-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wu, L, Davies, G.J.
登録日2020-06-14
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.714 Å)
主引用文献Structural insights into heparanase activity using a fluorogenic heparan sulfate disaccharide.
Chem.Commun.(Camb.), 56, 2020

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