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8F1U
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BU of 8f1u by Molmil
Structure of a 24mer DegP cage bound to the client protein hTRF1
Descriptor: Periplasmic serine endoprotease DegP, Telomeric repeat-binding factor 1
Authors:Harkness, R.W, Ripstein, Z.A, Di Trani, J.M, Kay, L.E.
Deposit date:2022-11-06
Release date:2022-11-23
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (13.8 Å)
Cite: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
Descriptor: MAGNESIUM ION, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ...
Authors:Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S.
Deposit date:2014-08-22
Release date:2015-05-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, GLYCOSYL HYDROLASE FAMILY 71, ...
Authors: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.
Deposit date:2014-07-21
Release date:2014-12-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite: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
Descriptor: Gramicidin S, UREA
Authors:Dodson, E.J.
Deposit date:2023-12-06
Release date:2024-03-06
Method:X-RAY DIFFRACTION (0.98 Å)
Cite: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
Descriptor: 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
Authors:Zhu, J.-Y, Schonbrunn, E.
Deposit date:2017-04-01
Release date:2018-04-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.05 Å)
Cite: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
Descriptor: Phospholipase A2 VRV-PL-VIIIa
Authors:Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B.
Deposit date:2017-04-05
Release date:2018-06-20
Last modified:2022-04-13
Method:X-RAY DIFFRACTION (2 Å)
Cite: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)
Descriptor: Peptide 38138
Authors:Bermudez, A, Patarroyo, M.E.
Deposit date:2017-04-25
Release date:2018-09-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-[(2-phenylethyl)sulfanyl]-1H-1,2,3-triazole, Lysozyme
Authors:Kamenik, A.S, Singh, I, Lak, P, Balius, T.E, Liedl, K.R, Shoichet, B.K.
Deposit date:2021-03-03
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.05 Å)
Cite: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
Descriptor: 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, ...
Authors:Hu, C, Leche II, C.A, Stayrook, S.E, Ferguson, K.M, Lemmon, M.A.
Deposit date:2021-01-14
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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
Descriptor: Baculoviral IAP repeat-containing protein 5, ZINC ION, histone H3 T3phK4me2 peptide
Authors:Niedzialkowska, E, Minor, W, Stukenberg, P.T.
Deposit date:2021-01-08
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.69 Å)
Cite: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)
Descriptor: 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
Authors:Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A.
Deposit date:2023-12-22
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.97 Å)
Cite: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)
Descriptor: (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
Authors:Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A.
Deposit date:2023-12-21
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.91 Å)
Cite: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
Descriptor: CALCIUM ION, Proteinase K
Authors:Evans, G, Zhang, P, Beale, E.V, Waterman, D.G.
Deposit date:2020-06-16
Release date:2020-10-14
Last modified:2024-02-14
Method:ELECTRON CRYSTALLOGRAPHY (2.004 Å)
Cite: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)
Descriptor: Endoribonuclease VapD
Authors:Bertelsen, M.B, Senissar, M, Nielsen, M.H, Bisiak, F, Cunha, M.V, Molinaro, A.L, Daines, D.A, Brodersen, D.E.
Deposit date:2020-06-24
Release date:2020-10-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: ACRYLIC ACID, BROMIDE ION, CHLORIDE ION, ...
Authors:Brummett, A.E, Dey, M.
Deposit date:2016-05-09
Release date:2017-02-22
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: 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
Authors:Twomey, E.C, Yelshanskaya, M.V, Grassucci, R.A, Frank, J, Sobolevsky, A.I.
Deposit date:2016-06-03
Release date:2016-07-13
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (7.8 Å)
Cite: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
Descriptor: Major capsid protein L1
Authors:Guan, J, Bywaters, S.M, Brendle, S.A, Ashley, R.E, Makhov, A.M, Conway, J.F, Christensen, N.D, Hafenstein, S.
Deposit date:2016-06-10
Release date:2017-01-25
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite: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.
Descriptor: CALCIUM ION, CHLORIDE ION, Furin, ...
Authors:Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E.
Deposit date:2016-05-13
Release date:2016-10-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: Endo-1,4-beta-xylanase, GLYCEROL, methyl beta-D-xylopyranoside
Authors:Gomez, S, Payne, A.M, Savko, M, Fox, G.C, Shepard, W.E, Fernandez, F.J, Vega, M.C.
Deposit date:2016-05-06
Release date:2017-05-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.841 Å)
Cite: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
Descriptor: 5'-D(*CP*C)-3'
Authors:Malliavin, T.E, Snoussi, K, Leroy, J.-L.
Deposit date:2002-07-15
Release date:2002-08-07
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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.
Descriptor: CHLORIDE ION, beta-1,4-mannanase, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose
Authors:Jin, Y, Petricevic, M, Goddard-Borger, E.D, Williams, S.J, Davies, G.J.
Deposit date:2016-05-10
Release date:2016-11-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.18 Å)
Cite: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
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Nicotinamide-nucleotide Adenylyltransferase
Authors:Saridakis, V, Pai, E.F.
Deposit date:2002-07-24
Release date:2003-07-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: QA1 monoclonal antibody heavy chain, QA1 monoclonal antibody light chain, Reticulocyte binding protein 5
Authors: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.
Deposit date:2014-07-15
Release date:2014-08-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite: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
Descriptor: platelet integrin alfaIIb subunit: cytoplasmic domain, platelet integrin beta3 subunit: cytoplasmic domain
Authors:Vinogradova, O, Velyvis, A, Velyviene, A, Hu, B, Haas, T, Plow, E.F, Qin, J.
Deposit date:2002-07-25
Release date:2002-09-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite: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
Descriptor: Platelet-derived growth factor receptor alpha, SULFATE ION
Authors:Yan, X.E, Liang, L, Yun, C.H.
Deposit date:2016-05-24
Release date:2016-08-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.168 Å)
Cite:Structural and biochemical studies of the PDGFRA kinase domain
Biochem.Biophys.Res.Commun., 477, 2016

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