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7NIT
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BU of 7nit by Molmil
X-ray structure of a multidomain BbgIII from Bifidobacterium bifidum
Descriptor: Beta-galactosidase, CALCIUM ION, GLYCEROL, ...
Authors:Moroz, O.V, Blagova, E, Lebedev, A.A, Sanchez Rodriguez, F, Rigden, D.J, Tams, J.W, Wilting, R, Vester, J.K, Longhin, E, Krogh, K.B.R, Pache, R.A, Davies, G.J, Wilson, K.S.
Deposit date:2021-02-14
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Multitasking in the gut: the X-ray structure of the multidomain BbgIII from Bifidobacterium bifidum offers possible explanations for its alternative functions.
Acta Crystallogr D Struct Biol, 77, 2021
6HDW
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BU of 6hdw by Molmil
Crystal structure of 2-Hydroxyisobutyryl-CoA Ligase (HCL) in the postadenylation state in complex with 2-HIB-AMP
Descriptor: 2-hydroxyisobutyryl-CoA synthetase, SULFATE ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate
Authors:Zahn, M, Rohwerder, T, Strater, N.
Deposit date:2018-08-20
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of 2-Hydroxyisobutyric Acid-CoA Ligase Reveal Determinants of Substrate Specificity and Describe a Multi-Conformational Catalytic Cycle.
J.Mol.Biol., 431, 2019
7C22
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BU of 7c22 by Molmil
Crystal structure of the C-terminal domain of SARS-CoV-2 nucleocapsid protein
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Nucleoprotein
Authors:Zhou, R.J, Zeng, R, Lei, J.
Deposit date:2020-05-07
Release date:2020-05-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of the C-terminal domain of SARS-CoV-2 nucleocapsid protein.
Mol Biomed, 1, 2020
6HJA
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BU of 6hja by Molmil
Xray structure of GLIC in complex with glutarate
Descriptor: CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECANE, ...
Authors:Fourati, Z, Delarue, M.
Deposit date:2018-09-03
Release date:2019-09-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural evidence for the binding of monocarboxylates and dicarboxylates at pharmacologically relevant extracellular sites of a pentameric ligand-gated ion channel.
Acta Crystallogr D Struct Biol, 76, 2020
8TXA
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BU of 8txa by Molmil
Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum
Descriptor: tRNA (guanine-N(1)-)-methyltransferase
Authors:Balsamo, A, Bruno, C, Edele, C, Fabian, T, Jannotta, R, Lee, R, Schryver, D, Warsaw, J, Warsaw, L, Stojanoff, V, Battaile, K, Perez, A, Bolen, R.
Deposit date:2023-08-23
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum
To Be Published
7NHF
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BU of 7nhf by Molmil
Crystal structure of Arabidopsis thaliana Pdx1K166R
Descriptor: PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3
Authors:Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I.
Deposit date:2021-02-10
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase.
Rsc Chem Biol, 3, 2022
6BW3
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BU of 6bw3 by Molmil
Crystal structure of RBBP4 in complex with PRDM3 N-terminal peptide
Descriptor: Histone-binding protein RBBP4, MDS1 and EVI1 complex locus protein MDS1, UNKNOWN ATOM OR ION
Authors:Ivanochko, D, Halabelian, L, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
Deposit date:2017-12-14
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex.
Nucleic Acids Res., 47, 2019
6HEP
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BU of 6hep by Molmil
Crystal structure of human 14-3-3 beta in complex with CFTR R-domain peptide pS753-pS768
Descriptor: 14-3-3 protein beta/alpha, 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Cystic fibrosis transmembrane conductance regulator
Authors:Stevers, L.M, Ottmann, C, Brunsveld, L.
Deposit date:2018-08-20
Release date:2018-10-24
Last modified:2018-11-07
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A Thermodynamic Model for Multivalency in 14-3-3 Protein-Protein Interactions.
J. Am. Chem. Soc., 140, 2018
6HEW
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BU of 6hew by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712 derivative AT069
Descriptor: 4-methyl-3-[(1-methyl-6-pyrimidin-5-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
Deposit date:2018-08-20
Release date:2019-08-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.268 Å)
Cite:Effects of NVP-BHG712 chemical modifications on EPHA2 binding and affinity
To Be Published
7MWI
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BU of 7mwi by Molmil
Crystal structure of human BAZ2A
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, UNKNOWN ATOM OR ION
Authors:Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-05-17
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of the TAM domain of BAZ2A in binding to DNA or RNA independent of methylation status.
J.Biol.Chem., 297, 2021
8TNV
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BU of 8tnv by Molmil
Hemocyanin Functional Unit CCHB-g of Concholepas concholepas
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Munoz, S, Vallejos-Baccelliere, G, Manubens, A, Salazar, M, Nascimento, A.F.Z, Ambrosio, A.L.B, Becker, M.I, Guixe, V, Castro-Fernandez, V.
Deposit date:2023-08-02
Release date:2024-04-10
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights into a functional unit from an immunogenic mollusk hemocyanin.
Structure, 32, 2024
7BVK
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BU of 7bvk by Molmil
UDP-N-acetylglucosamine 3-dehydrogenase GnnA from Acidithiobacillus ferrooxidans (P212121)
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Oxidoreductase, NAD-binding, ...
Authors:Wangkanont, K.
Deposit date:2020-04-11
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Biochemical and Structural Investigation of GnnA in the Lipopolysaccharide Biosynthesis Pathway of Acidithiobacillus ferrooxidans .
Acs Chem.Biol., 15, 2020
8TNT
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BU of 8tnt by Molmil
Crystal structure of Epstein-Barr virus gH/gL/gp42 in complex with antibodies F-2-1 and 769C2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 769C2 heavy chain, 769C2 light chain, ...
Authors:Bu, W, Kumar, A, Board, N, Kim, J, Dowdell, K, Zhang, S, Lei, Y, Hostal, A, Krogmann, T, Wang, Y, Pittaluga, S, Marcotrigiano, J, Cohen, J.I.
Deposit date:2023-08-02
Release date:2024-03-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Epstein-Barr virus gp42 antibodies reveal sites of vulnerability for receptor binding and fusion to B cells.
Immunity, 57, 2024
7RTD
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BU of 7rtd by Molmil
SARS-CoV-2 Spike-derived peptide S269-277 (YLQPRTFLL) presented by HLA-A*02:01
Descriptor: Beta-2-microglobulin, HLA class I antigen, Spike protein S1
Authors:Szeto, C, Nguyen, A.T, Gras, S.
Deposit date:2021-08-13
Release date:2021-10-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Molecular Basis of a Dominant SARS-CoV-2 Spike-Derived Epitope Presented by HLA-A*02:01 Recognised by a Public TCR.
Cells, 10, 2021
7S0L
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BU of 7s0l by Molmil
Crystal structure of Penicillium verruculosum copalyl diphosphate synthase (PvCPS) alpha prenyltransferase domain variant, S723F
Descriptor: Terpene synthase
Authors:Ronnebaum, T.A, Christianson, D.W.
Deposit date:2021-08-30
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Engineering the Prenyltransferase Domain of a Bifunctional Assembly-Line Terpene Synthase.
Biochemistry, 60, 2021
8TQV
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BU of 8tqv by Molmil
Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor X20403
Descriptor: 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide, Polyketide synthase Pks13, SULFATE ION
Authors:Krieger, I.V, Sacchettini, J.C.
Deposit date:2023-08-08
Release date:2024-04-24
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening.
Acs Infect Dis., 10, 2024
7S7V
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BU of 7s7v by Molmil
Crystal structure of iNicSnFR3a Fluorescent Nicotine Sensor
Descriptor: iNicSnFR 3.0 Fluorescent Nicotine Sensor
Authors:Fan, C, Shivange, A.V, Looger, L.L, Lester, H.A, Rees, D.C.
Deposit date:2021-09-17
Release date:2021-10-13
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Correction: Fluorescence activation mechanism and imaging of drug permeation with new sensors for smoking-cessation ligands.
Elife, 11, 2022
7NNE
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BU of 7nne by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide and fragment 22
Descriptor: 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, Amot-p130 phosphopeptide (pS175), ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-24
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7BF7
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BU of 7bf7 by Molmil
Mutant L58F of recombinant bovine beta-lactoglobulin in complex with tetracaine
Descriptor: Beta-lactoglobulin, SULFATE ION, Tetracaine
Authors:Loch, J.I, Kaczor, K, Lewinski, K.
Deposit date:2021-01-01
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
7RTS
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BU of 7rts by Molmil
Crystal structure of the TIR domain from the grapevine disease resistance protein RUN1 without the AE interface
Descriptor: Disease resistance protein RUN1, SULFATE ION
Authors:Burdett, H, Kobe, B.
Deposit date:2021-08-15
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Self-association configures the NAD + -binding site of plant NLR TIR domains
Biorxiv, 2021
7NMA
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BU of 7nma by Molmil
Crystal structure of 14-3-3 sigma in complex with 13mer Amot-p130 peptide
Descriptor: 14-3-3 protein sigma, Amot-p130 phosphopeptide (pS175), CHLORIDE ION, ...
Authors:Centorrino, F, Ottmann, C.
Deposit date:2021-02-23
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment-based exploration of the 14-3-3/Amot-p130 interface.
Curr Res Struct Biol, 4, 2022
7BGA
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BU of 7bga by Molmil
Mutant F105A of recombinant beta-lactoglobulin in complex with endogenous ligand
Descriptor: Beta-lactoglobulin, LAURIC ACID, SULFATE ION
Authors:Loch, J.I, Lazinska, I, Lewinski, K.
Deposit date:2021-01-06
Release date:2021-01-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Interactions of new lactoglobulin variants with tetracaine: crystallographic studies of ligand binding to lactoglobulin mutants possessing single substitution in the binding pocket.
Acta Biochim.Pol., 68, 2021
7RX1
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BU of 7rx1 by Molmil
Crystal structure of the TIR domain from the grapevine disease resistance protein RUN1
Descriptor: Disease resistance protein RUN1, SULFATE ION
Authors:Burdett, H, Kobe, B.
Deposit date:2021-08-21
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Self-association configures the NAD + -binding site of plant NLR TIR domains
Biorxiv, 2021
6HG7
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BU of 6hg7 by Molmil
Crystal structure of a collagen II fragment containing the binding site of PEDF and COMP, (POG)4-LKG HRG FTG LQG-POG(4)
Descriptor: Collagen alpha-1(II) chain, SULFATE ION
Authors:Gebauer, J.M, Koehler, A, Dietmar, H, Gompert, M, Neundorf, I, Zaucke, F, Koch, M, Baumann, U.
Deposit date:2018-08-22
Release date:2018-12-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1 Å)
Cite:COMP and TSP-4 interact specifically with the novel GXKGHR motif only found in fibrillar collagens.
Sci Rep, 8, 2018
7S7Z
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BU of 7s7z by Molmil
Crystal structure of iAChSnFR Acetylcholine Sensor precursor binding protein with choline bound
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHOLINE ION, iAchSnFR Fluorescent Acetylcholine Sensor precursor binding protein
Authors:Fan, C, Borden, P.M, Looger, L.L, Lester, H.A, Rees, D.C.
Deposit date:2021-09-17
Release date:2021-10-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure, Function, and Application of Bacterial ABC Transporters
Ph.D.Thesis,California Institute of Technology, 2020

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PDB entries from 2024-11-06

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