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8F1U
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Structure of a 24mer DegP cage bound to the client protein hTRF1
分子名称: Periplasmic serine endoprotease DegP, Telomeric repeat-binding factor 1
著者Harkness, R.W, Ripstein, Z.A, Di Trani, J.M, Kay, L.E.
登録日2022-11-06
公開日2022-11-23
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (13.8 Å)
主引用文献Flexible Client-Dependent Cages in the Assembly Landscape of the Periplasmic Protease-Chaperone DegP.
J.Am.Chem.Soc., 145, 2023
4UXJ
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BU of 4uxj by Molmil
Leishmania major Thymidine Kinase in complex with dTTP
分子名称: MAGNESIUM ION, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ...
著者Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S.
登録日2014-08-22
公開日2015-05-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major.
Plos Negl Trop Dis, 9, 2015
4UTF
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BU of 4utf by Molmil
Structure of the GH99 endo-alpha-mannosidase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-isofagomine and alpha- 1,2-mannobiose
分子名称: 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, ...
著者Cuskin, F, Lowe, E.C, Temple, M.J, Zhu, Y, Pudlo, N.A, Cameron, E.A, Urs, K, Thompson, A.J, Cartmell, A, Rogowski, A, Tolbert, T, Piens, K, Bracke, D, Vervecken, W, Hakki, Z, Speciale, G, Munoz-Munoz, J.L, Pena, M.J, McLean, R, Suits, M.D, Boraston, A.B, Atherly, T, Ziemer, C.J, Williams, S.J, Davies, G.J, Abbott, D.W, Martens, E.C, Gilbert, H.J.
登録日2014-07-21
公開日2014-12-24
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Human Gut Bacteroidetes Can Utilize Yeast Mannan Through a Selfish Mechanism.
Nature, 517, 2015
8RC7
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BU of 8rc7 by Molmil
The structure of membrane-active antibiotic cyclodecapeptide gramicidin S in complex with urea
分子名称: Gramicidin S, UREA
著者Dodson, E.J.
登録日2023-12-06
公開日2024-03-06
実験手法X-RAY DIFFRACTION (0.98 Å)
主引用文献The crystal structure of a hydrated gramicidin S urea complex
Nature, 275, 1978
5VD5
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BU of 5vd5 by Molmil
CRYSTAL STRUCTURE OF HUMAN WEE1 KINASE DOMAIN IN COMPLEX WITH RAC-IV-050, a MK1775 analougue
分子名称: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(morpholin-4-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo [3,4-d]pyrimidin-3-one, CHLORIDE ION, Wee1-like protein kinase
著者Zhu, J.-Y, Schonbrunn, E.
登録日2017-04-01
公開日2018-04-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural basis of Wee family kinase inhibition by small molecules
to be published
5VET
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BU of 5vet by Molmil
PHOSPHOLIPASE A2, RE-REFINEMENT OF THE PDB STRUCTURE 1JQ8 WITHOUT THE PUTATIVE COMPLEXED OLIGOPEPTIDE
分子名称: Phospholipase A2 VRV-PL-VIIIa
著者Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B.
登録日2017-04-05
公開日2018-06-20
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
5VL6
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BU of 5vl6 by Molmil
Peptide 38138 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoite (Pf-CelTOS)
分子名称: Peptide 38138
著者Bermudez, A, Patarroyo, M.E.
登録日2017-04-25
公開日2018-09-19
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Peptide 38138 modified from fragment 21-37 of Plasmodium falciparum Cell-Traversal Protein for Ookinetes and Sporozoite (Pf-CelTOS)
To Be Published
7LX6
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BU of 7lx6 by Molmil
T4 lysozyme mutant L99A
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole, Lysozyme
著者Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
登録日2021-03-03
公開日2021-09-29
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Energy penalties enhance flexible receptor docking in a model cavity.
Proc.Natl.Acad.Sci.USA, 118, 2021
7LEN
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BU of 7len by Molmil
Crystal structure of the epidermal growth factor receptor extracellular region with R84K mutation in complex with epiregulin crystallized with trehalose
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hu, C, Leche II, C.A, Stayrook, S.E, Ferguson, K.M, Lemmon, M.A.
登録日2021-01-14
公開日2021-11-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Glioblastoma mutations alter EGFR dimer structure to prevent ligand bias.
Nature, 602, 2022
7LBQ
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BU of 7lbq by Molmil
Crystal structure of human Survivin bound to histone H3 T3phK4me2 peptide
分子名称: Baculoviral IAP repeat-containing protein 5, ZINC ION, histone H3 T3phK4me2 peptide
著者Niedzialkowska, E, Minor, W, Stukenberg, P.T.
登録日2021-01-08
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献Tip60 acetylation of histone H3K4 temporally controls chromosome passenger complex localization.
Mol.Biol.Cell, 33, 2022
8RJY
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BU of 8rjy by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3899 (compound 58 in publication)
分子名称: 3C-like proteinase nsp5, ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(4-chlorophenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide
著者Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A.
登録日2023-12-22
公開日2024-05-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
8RJV
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BU of 8rjv by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the covalent inhibitor GUE-3778 (compound 12 in publication)
分子名称: (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate, 3C-like proteinase nsp5
著者Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A.
登録日2023-12-21
公開日2024-05-29
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
6ZEU
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BU of 6zeu by Molmil
Crystal structure of proteinase K lamella by electron diffraction with a 50 micrometre C2 condenser aperture
分子名称: CALCIUM ION, Proteinase K
著者Evans, G, Zhang, P, Beale, E.V, Waterman, D.G.
登録日2020-06-16
公開日2020-10-14
最終更新日2024-02-14
実験手法ELECTRON CRYSTALLOGRAPHY (2.004 Å)
主引用文献A Workflow for Protein Structure Determination From Thin Crystal Lamella by Micro-Electron Diffraction.
Front Mol Biosci, 7, 2020
6ZI1
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BU of 6zi1 by Molmil
Crystal structure of the isolated H. influenzae VapD toxin (D7N mutant)
分子名称: Endoribonuclease VapD
著者Bertelsen, M.B, Senissar, M, Nielsen, M.H, Bisiak, F, Cunha, M.V, Molinaro, A.L, Daines, D.A, Brodersen, D.E.
登録日2020-06-24
公開日2020-10-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural Basis for Toxin Inhibition in the VapXD Toxin-Antitoxin System.
Structure, 29, 2021
5JSR
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BU of 5jsr by Molmil
New Mechanistic Insight from Substrate and Product Bound Structures of the Metal-dependent Dimethylsulfoniopropionate Lyase DddQ
分子名称: ACRYLIC ACID, BROMIDE ION, CHLORIDE ION, ...
著者Brummett, A.E, Dey, M.
登録日2016-05-09
公開日2017-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献New Mechanistic Insight from Substrate- and Product-Bound Structures of the Metal-Dependent Dimethylsulfoniopropionate Lyase DddQ.
Biochemistry, 55, 2016
5KBU
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BU of 5kbu by Molmil
Cryo-EM structure of GluA2-2xSTZ complex at 7.8 Angstrom resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid
著者Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I.
登録日2016-06-03
公開日2016-07-13
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Elucidation of AMPA receptor-stargazin complexes by cryo-electron microscopy.
Science, 353, 2016
5KEP
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BU of 5kep by Molmil
High resolution cryo-EM maps of Human Papillomavirus 16 reveal L2 location and heparin-induced conformational changes
分子名称: Major capsid protein L1
著者Guan, J, Bywaters, S.M, Brendle, S.A, Ashley, R.E, Makhov, A.M, Conway, J.F, Christensen, N.D, Hafenstein, S.
登録日2016-06-10
公開日2017-01-25
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Cryoelectron Microscopy Maps of Human Papillomavirus 16 Reveal L2 Densities and Heparin Binding Site.
Structure, 25, 2017
5JXI
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BU of 5jxi by Molmil
Structure of the unliganded form of the proprotein convertase furin in presence of EDTA.
分子名称: CALCIUM ION, CHLORIDE ION, Furin, ...
著者Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E.
登録日2016-05-13
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism.
Proc.Natl.Acad.Sci.USA, 113, 2016
5JRN
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BU of 5jrn by Molmil
Crystal Structure of a Xylanase in Complex with a Monosaccharide at 2.84 Angstroem resolution
分子名称: Endo-1,4-beta-xylanase, GLYCEROL, methyl beta-D-xylopyranoside
著者Gomez, S, Payne, A.M, Savko, M, Fox, G.C, Shepard, W.E, Fernandez, F.J, Vega, M.C.
登録日2016-05-06
公開日2017-05-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.841 Å)
主引用文献Crystal Structure of a Xylanase in Complex with a Monosaccharide at 2.84 Angstroem resolution
To Be Published
1M6A
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BU of 1m6a by Molmil
NMR structure of the i-Motif Tetramer Formed by XC2
分子名称: 5'-D(*CP*C)-3'
著者Malliavin, T.E, Snoussi, K, Leroy, J.-L.
登録日2002-07-15
公開日2002-08-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The NMR structure of [Xd(C2)]4 investigated by molecular dynamics simulations
MAGN.RESON.CHEM., 41, 2003
5JU9
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BU of 5ju9 by Molmil
Structure of a beta-1,4-mannanase, SsGH134, in complex with Man3.
分子名称: CHLORIDE ION, beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose
著者Jin, Y, Petricevic, M, Goddard-Borger, E.D, Williams, S.J, Davies, G.J.
登録日2016-05-10
公開日2016-11-16
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.18 Å)
主引用文献A beta-Mannanase with a Lysozyme-like Fold and a Novel Molecular Catalytic Mechanism.
ACS Cent Sci, 2, 2016
1M8G
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BU of 1m8g by Molmil
Crystal Structure Of Methanobacterium Thermoautotrophicum Nicotinamide Mononucleotide Adenylyltransferase Mutant R11K complexed with NAD
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Nicotinamide-nucleotide Adenylyltransferase
著者Saridakis, V, Pai, E.F.
登録日2002-07-24
公開日2003-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mutational, Structural, and Kinetic Studies of the ATP-binding Site of Methanobacterium thermoautotrophicum Nicotinamide Mononucleotide Adenylyltransferase
J.Biol.Chem., 278, 2003
4U1G
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BU of 4u1g by Molmil
Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to monoclonal antibody QA1
分子名称: QA1 monoclonal antibody heavy chain, QA1 monoclonal antibody light chain, Reticulocyte binding protein 5
著者Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K.
登録日2014-07-15
公開日2014-08-13
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies.
Nature, 515, 2014
1M8O
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BU of 1m8o by Molmil
Platelet integrin alfaIIb-beta3 cytoplasmic domain
分子名称: platelet integrin alfaIIb subunit: cytoplasmic domain, platelet integrin beta3 subunit: cytoplasmic domain
著者Vinogradova, O, Velyvis, A, Velyviene, A, Hu, B, Haas, T, Plow, E.F, Qin, J.
登録日2002-07-25
公開日2002-09-18
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献A Structural mechanism of integrin alfaiib beta3 "Inside-out" Activation as regulated by its cytoplasmic face.
Cell(Cambridge,Mass.), 110, 2002
5K5X
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BU of 5k5x by Molmil
Crystal structure of human PDGFRA
分子名称: Platelet-derived growth factor receptor alpha, SULFATE ION
著者Yan, X.E, Liang, L, Yun, C.H.
登録日2016-05-24
公開日2016-08-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.168 Å)
主引用文献Structural and biochemical studies of the PDGFRA kinase domain
Biochem.Biophys.Res.Commun., 477, 2016

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