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5W1V
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BU of 5w1v by Molmil
Structure of the HLA-E-VMAPRTLIL/GF4 TCR complex
Descriptor: Beta-2-microglobulin, GF4 T cell receptor alpha chain, GF4 T cell receptor beta chain, ...
Authors:Gras, S, Walpole, N, Farenc, C, Rossjohn, J.
Deposit date:2017-06-04
Release date:2017-10-04
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:A conserved energetic footprint underpins recognition of human leukocyte antigen-E by two distinct alpha beta T cell receptors.
J. Biol. Chem., 292, 2017
7VPR
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BU of 7vpr by Molmil
Crystal structure of the ligand-binding domain of C. glabrata Upc2 in complex with ergosterol
Descriptor: ERGOSTEROL, Sterol uptake control protein 2 (Upc2)
Authors:Tan, L, Im, Y.J.
Deposit date:2021-10-17
Release date:2022-09-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis for activation of fungal sterol receptor Upc2 and azole resistance.
Nat.Chem.Biol., 18, 2022
7VPU
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BU of 7vpu by Molmil
Crystal structure of the ligand-binding domain of L. thermotolerans Upc2 in complex with ergosterol
Descriptor: ERGOSTEROL, Sterol uptake control protein 2 (Upc2)
Authors:Tan, L, Im, Y.J.
Deposit date:2021-10-18
Release date:2022-08-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis for activation of fungal sterol receptor Upc2 and azole resistance.
Nat.Chem.Biol., 18, 2022
5OJG
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BU of 5ojg by Molmil
Crystal structure of the dehydrogenase/reductase SDR family member 4 (DHRS4) from Caenorhabditis elegans
Descriptor: Dehydrogenase/reductase SDR family member 4, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, butane-2,3-dione
Authors:Scheidig, A.J, Faust, A, Ebert, B, Maser, E, Kisiela, M.
Deposit date:2017-07-21
Release date:2017-11-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure and catalytic characterization of the dehydrogenase/reductase SDR family member 4 (DHRS4) from Caenorhabditis elegans.
FEBS J., 285, 2018
5O0Y
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BU of 5o0y by Molmil
TLK2 kinase domain from human
Descriptor: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase tousled-like 2
Authors:Mortuza, G.B, Montoya, G.
Deposit date:2017-05-17
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Molecular basis of Tousled-Like Kinase 2 activation.
Nat Commun, 9, 2018
7V4Q
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BU of 7v4q by Molmil
The crystal structure of the apo form of KFDV NS3H
Descriptor: Serine protease NS3
Authors:Zhang, C.Y, Jin, T.C.
Deposit date:2021-08-14
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Kyasanur Forest disease virus NS3 helicase: Insights into structure, activity, and inhibitors.
Int.J.Biol.Macromol., 2023
5OLY
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BU of 5oly by Molmil
5-fluorotryptophan labeled beta-phosphoglucomutase in a closed conformation, monoclinic crystal form
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION, ...
Authors:Bowler, M.W, von Velsen, J.
Deposit date:2017-07-28
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Observing enzyme ternary transition state analogue complexes by19F NMR spectroscopy.
Chem Sci, 8, 2017
5VL4
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BU of 5vl4 by Molmil
Accidental minimum contact crystal lattice formed by a redesigned protein oligomer
Descriptor: T33-53H-B
Authors:Cannon, K.A, Cascio, D, Sawaya, M.R, Park, R, Boyken, S, King, N, Yeates, T.
Deposit date:2017-04-24
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Design and structure of two new protein cages illustrate successes and ongoing challenges in protein engineering.
Protein Sci., 29, 2020
5VJU
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BU of 5vju by Molmil
De Novo Photosynthetic Reaction Center Protein Variant Equipped with His-Tyr H-bond, Heme B, and Cd(II) ions
Descriptor: CADMIUM ION, PROTOPORPHYRIN IX CONTAINING FE, Reaction Center Maquette Leu71His variant
Authors:Ennist, N.M, Stayrook, S.E, Dutton, P.L, Moser, C.C.
Deposit date:2017-04-19
Release date:2018-04-25
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:De novo protein design of photochemical reaction centers.
Nat Commun, 13, 2022
8BBI
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BU of 8bbi by Molmil
Crystal structure of Xyn11 double mutant L271S, K275H from Psedothermotoga thermarum
Descriptor: 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-xylanase, GLYCEROL
Authors:Cea-Rama, I, Sanz-Aparicio, J.
Deposit date:2022-10-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Xyn11 double mutant L271S, K275H from Pseudothermotoga thermarum
To be published
6J62
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BU of 6j62 by Molmil
Crystal structure of mISG15/NS1B complex
Descriptor: Non-structural protein 1, Ubiquitin-like protein ISG15
Authors:Jiang, Y.N, Wang, X.Q.
Deposit date:2019-01-12
Release date:2019-12-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.486 Å)
Cite:Crystal structure of mISG15/NS1B complex
To Be Published
5O51
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BU of 5o51 by Molmil
AfRom2 CNH domain
Descriptor: Rho guanyl nucleotide exchange factor (Rom2), putative
Authors:Wei, W, van Aalten, D.
Deposit date:2017-05-31
Release date:2018-06-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Rom2 CNH domain from Aspergillus fumigatus is an atypical seven-bladed WD-40 protein
To Be Published
5KGX
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BU of 5kgx by Molmil
HIV1 catalytic core domain in complex with an inhibitor (2~{S})-2-[3-(3,4-dihydro-2~{H}-chromen-6-yl)-1-methyl-indol-2-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
Descriptor: (2S)-tert-butoxy[3-(3,4-dihydro-2H-1-benzopyran-6-yl)-1-methyl-1H-indol-2-yl]acetic acid, Integrase, SULFATE ION
Authors:Feng, L, Kobe, M, Kvaratskhelia, M.
Deposit date:2016-06-13
Release date:2016-10-19
Last modified:2018-03-07
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Indole-based allosteric inhibitors of HIV-1 integrase.
Bioorg.Med.Chem.Lett., 26, 2016
6RMM
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BU of 6rmm by Molmil
Crystal structure of TOPBP1 BRCT4,5 in complex with a 53BP1 phosphopeptide
Descriptor: 53BP1, DNA topoisomerase 2-binding protein 1
Authors:Day, M, Oliver, A.W, Pearl, L.H.
Deposit date:2019-05-07
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:Phosphorylation-mediated interactions with TOPBP1 couple 53BP1 and 9-1-1 to control the G1 DNA damage checkpoint.
Elife, 8, 2019
6XO9
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BU of 6xo9 by Molmil
Self-assembly of a 3D DNA crystal lattice (4x6 junction version) containing the J33 immobile Holliday junction
Descriptor: CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*TP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*CP*AP*GP*TP*CP*TP*GP*C)-3'), ...
Authors:Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H.
Deposit date:2020-07-06
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.103 Å)
Cite:The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly.
Nat Commun, 13, 2022
6J91
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BU of 6j91 by Molmil
Structure of a hypothetical protease
Descriptor: Small vasohibin-binding protein, Tubulinyl-Tyr carboxypeptidase 1
Authors:Liao, S, Gao, J, Xu, C.
Deposit date:2019-01-21
Release date:2019-06-19
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular basis of vasohibins-mediated detyrosination and its impact on spindle function and mitosis.
Cell Res., 29, 2019
5VNQ
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BU of 5vnq by Molmil
Neutron crystallographic structure of perdeuterated T4 lysozyme cysteine-free pseudo-wild type at cryogenic temperature
Descriptor: CHLORIDE ION, Endolysin
Authors:Li, L, Shukla, S, Meilleur, F, Standaert, R.F, Pierce, J, Myles, D.A.A, Cuneo, M.J.
Deposit date:2017-05-01
Release date:2017-07-26
Last modified:2023-10-04
Method:NEUTRON DIFFRACTION (2.2 Å)
Cite:Neutron crystallographic studies of T4 lysozyme at cryogenic temperature.
Protein Sci., 26, 2017
5VPG
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BU of 5vpg by Molmil
CRYSTAL STRUCTURE OF DER P 1 COMPLEXED WITH FAB 4C1
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Chruszcz, M, Vailes, L.D, Chapman, M.D, Pomes, A, Minor, W.
Deposit date:2017-05-05
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Molecular Determinants For Antibody Binding On Group 1 House Dust Mite Allergens.
J.Biol.Chem., 287, 2012
6XZS
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BU of 6xzs by Molmil
Crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((4-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
Descriptor: 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
Authors:Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, F, Supuran, C.T.
Deposit date:2020-02-05
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
6XZY
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BU of 6xzy by Molmil
crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide
Descriptor: 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION
Authors:Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C.
Deposit date:2020-02-05
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
5O82
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BU of 5o82 by Molmil
Crystal Structure of R67A/E173A Mutant of alpha-L-arabinofuranosidase Ara51 from Clostridium thermocellum in complex with arabinofuranose
Descriptor: Intracellular exo-alpha-(1->5)-L-arabinofuranosidase, alpha-L-arabinofuranose
Authors:Lafite, P, Daniellou, R.
Deposit date:2017-06-12
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.393 Å)
Cite:To be announced
To Be Published
8BG2
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BU of 8bg2 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with pT1580 scFV
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, pT1375 single-chain Fv
Authors:Hansen, G, Ssebyatika, G.L, Krey, T.
Deposit date:2022-10-27
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Activity of broadly neutralizing antibodies against sarbecoviruses: a trade-off between SARS-CoV-2 variants and distant coronaviruses?
To be published
5O90
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BU of 5o90 by Molmil
Crystal structure of a P38alpha T185G mutant in complex with TAB1 peptide.
Descriptor: 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, Mitogen-activated protein kinase 14, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
Authors:Nichols, C.E, De Nicola, G.F, Thapa, D.
Deposit date:2017-06-15
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:TAB1-Induced Autoactivation of p38 alpha Mitogen-Activated Protein Kinase Is Crucially Dependent on Threonine 185.
Mol. Cell. Biol., 38, 2018
7VKA
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BU of 7vka by Molmil
Crystal Structure of GH3.6 in complex with an inhibitor
Descriptor: ADENOSINE MONOPHOSPHATE, GLYCEROL, Indole-3-acetic acid-amido synthetase GH3.6, ...
Authors:Wang, N, Luo, M, Bao, H, Huang, H.
Deposit date:2021-09-29
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Chemical genetic screening identifies nalacin as an inhibitor of GH3 amido synthetase for auxin conjugation.
Proc.Natl.Acad.Sci.USA, 119, 2022
5KL6
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BU of 5kl6 by Molmil
Wilms Tumor Protein (WT1) Q369R ZnF2-4 in complex with DNA
Descriptor: DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*GP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*CP*CP*CP*CP*AP*CP*GP*C)-3'), Wilms tumor protein, ...
Authors:Hashimoto, H, Cheng, X.
Deposit date:2016-06-23
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:Denys-Drash syndrome associated WT1 glutamine 369 mutants have altered sequence-preferences and altered responses to epigenetic modifications.
Nucleic Acids Res., 44, 2016

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