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7L0X
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BU of 7l0x by Molmil
Human Bocavirus 2 (pH 2.6)
Descriptor: VP2
Authors:Luo, M, Mietzsch, M, Agbandje-McKenna, M.
Deposit date:2020-12-13
Release date:2021-01-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:pH-Induced Conformational Changes of Human Bocavirus Capsids.
J.Virol., 95, 2021
4HON
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BU of 4hon by Molmil
Crystal structure of human JMJD2D/KDM4D in complex with an H3K9me3 peptide and 2-oxoglutarate
Descriptor: 1,3-PROPANDIOL, 2-OXOGLUTARIC ACID, Histone H3 Peptide, ...
Authors:Krishnan, S, Trievel, R.C.
Deposit date:2012-10-22
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Structural and Functional Analysis of JMJD2D Reveals Molecular Basis for Site-Specific Demethylation among JMJD2 Demethylases.
Structure, 21, 2013
5EXC
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BU of 5exc by Molmil
Photoconverted red fluorescent protein DendRFP
Descriptor: GLYCEROL, Green fluorescent protein, MAGNESIUM ION
Authors:Pletnev, V.Z, Pletneva, N.V, Pletnev, S.V.
Deposit date:2015-11-23
Release date:2016-08-03
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structure of the fluorescent protein from Dendronephthya sp. in both green and photoconverted red forms.
Acta Crystallogr D Struct Biol, 72, 2016
4MEC
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BU of 4mec by Molmil
Crystal structure of RAT Heme oxygenase-1 in complex with ZN(II)-Protoporphyrin IX
Descriptor: Heme oxygenase 1, PROTOPORPHYRIN IX CONTAINING ZN
Authors:Sugishima, M.
Deposit date:2013-08-26
Release date:2014-08-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Distal regulation of heme binding of heme oxygenase-1 mediated by conformational fluctuations
Biochemistry, 54, 2015
4HHT
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BU of 4hht by Molmil
T. maritima RNase H2 G21S in complex with nucleic acid substrate and calcium ions
Descriptor: CALCIUM ION, DNA (5'-D(*GP*AP*AP*TP*CP*AP*GP*GP*TP*GP*TP*C)-3'), DNA/RNA (5'-D(*GP*AP*CP*AP*C)-R(P*C)-D(P*TP*GP*AP*TP*TP*C)-3'), ...
Authors:Rychlik, M.P, Nowotny, M.
Deposit date:2012-10-10
Release date:2013-02-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:RNase H2 roles in genome integrity revealed by unlinking its activities.
Nucleic Acids Res., 41, 2013
8T5A
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BU of 8t5a by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with STP03-0404
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
5EZM
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BU of 5ezm by Molmil
Crystal Structure of ArnT from Cupriavidus metallidurans in the apo state
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-amino-4-deoxy-L-arabinose transferase or related glycosyltransferases of PMT family, CHLORIDE ION, ...
Authors:Petrou, V.I, Clarke, O.B, Tomasek, D, Banerjee, S, Rajashankar, K.R, Mancia, F, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2015-11-26
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structures of aminoarabinose transferase ArnT suggest a molecular basis for lipid A glycosylation.
Science, 351, 2016
5F06
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BU of 5f06 by Molmil
Crystal structure of glutathione transferase F7 from Populus trichocarpa
Descriptor: GLUTATHIONE, Glutathione S-transferase family protein, SULFATE ION
Authors:Didierjean, C, Rouhier, N, Pegeot, H, Gense, F.
Deposit date:2015-11-27
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural plasticity among glutathione transferase Phi members: natural combination of catalytic residues confers dual biochemical activities.
FEBS J., 284, 2017
3F37
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BU of 3f37 by Molmil
Apoferritin: complex with 2,6-dimethylphenol
Descriptor: 2,6-dimethylphenol, ACETATE ION, CADMIUM ION, ...
Authors:Vedula, L.S, Economou, N.J, Rossi, M.J, Eckenhoff, R.G, Loll, P.J.
Deposit date:2008-10-30
Release date:2009-07-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:A unitary anesthetic binding site at high resolution.
J.Biol.Chem., 284, 2009
7KHV
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BU of 7khv by Molmil
CpOGA IN COMPLEX WITH LIGAND 54
Descriptor: CALCIUM ION, CHLORIDE ION, N-(5-{[6-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,6-diazaspiro[3.4]octan-2-yl]methyl}-1,3-thiazol-2-yl)acetamide, ...
Authors:Shaffer, P.L.
Deposit date:2020-10-22
Release date:2020-12-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Diazaspirononane Nonsaccharide Inhibitors of O-GlcNAcase (OGA) for the Treatment of Neurodegenerative Disorders.
J.Med.Chem., 63, 2020
7KJU
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BU of 7kju by Molmil
Cgi121-tRNA complex
Descriptor: MAGNESIUM ION, RNA (75-MER)
Authors:Ceccarelli, D.F, Beenstock, J, Wan, L.C.K, Sicheri, F.
Deposit date:2020-10-26
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:A substrate binding model for the KEOPS tRNA modifying complex.
Nat Commun, 11, 2020
7Q4W
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BU of 7q4w by Molmil
CryoEM structure of electron bifurcating Fe-Fe hydrogenase HydABC complex A. woodii in the oxidised state
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Kumar, A, Saura, P, Poeverlein, M.C, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M.
Deposit date:2021-11-02
Release date:2023-02-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
J.Am.Chem.Soc., 145, 2023
4HIG
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BU of 4hig by Molmil
Ultrahigh-resolution crystal structure of Z-DNA in complex with Mn2+ ion.
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MANGANESE (II) ION, SPERMINE (FULLY PROTONATED FORM)
Authors:Drozdzal, P, Gilski, M, Kierzek, R, Lomozik, L, Jaskolski, M.
Deposit date:2012-10-11
Release date:2013-06-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.75 Å)
Cite:Ultrahigh-resolution crystal structures of Z-DNA in complex with Mn(2+) and Zn(2+) ions.
Acta Crystallogr.,Sect.D, 69, 2013
4MGQ
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BU of 4mgq by Molmil
PbXyn10C CBM APO
Descriptor: CALCIUM ION, Glycosyl hydrolase family 10
Authors:Chekan, J.R, Nair, S.K.
Deposit date:2013-08-28
Release date:2014-08-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Xylan utilization in human gut commensal bacteria is orchestrated by unique modular organization of polysaccharide-degrading enzymes.
Proc.Natl.Acad.Sci.USA, 111, 2014
7Q4V
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BU of 7q4v by Molmil
Electron bifurcating hydrogenase - HydABC from A. woodii
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Katsyv, A, Kumar, A, Saura, P, Poeverlein, M.C, Freibert, S.A, Stripp, S, Jain, S, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M.
Deposit date:2021-11-02
Release date:2023-02-22
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
J.Am.Chem.Soc., 145, 2023
7PU4
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BU of 7pu4 by Molmil
Crystal structure of the dimer RBP-N and RBP-Trunc from Thermotoga maritima Ribose Binding Protein
Descriptor: Ribose ABC transporter, periplasmic ribose-binding protein
Authors:Romero-Romero, S, Michel, F, Hocker, B.
Deposit date:2021-09-28
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Retracing the evolution of a modern periplasmic binding protein.
Protein Sci., 2023
7PSC
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BU of 7psc by Molmil
Crystal structure of the disease-causing I358T mutant of the human dihydrolipoamide dehydrogenase
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, mitochondrial, ...
Authors:Nemes-Nikodem, E, Szabo, E, Zambo, Z, Vass, K.R, Taberman, H, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
Deposit date:2021-09-22
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.436 Å)
Cite:Structural and Biochemical Investigation of Selected Pathogenic Mutants of the Human Dihydrolipoamide Dehydrogenase.
Int J Mol Sci, 24, 2023
3FB2
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BU of 3fb2 by Molmil
Crystal structure of the human brain alpha spectrin repeats 15 and 16. Northeast Structural Genomics Consortium target HR5563a.
Descriptor: Spectrin alpha chain, brain spectrin
Authors:Vorobiev, S.M, Su, M, Seetharaman, J, Shastry, R, Foote, E.L, Ciccosanti, C, Janjua, H, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-11-18
Release date:2008-11-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the human brain alpha spectrin repeats 15 and 16.
To be Published
5CLO
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BU of 5clo by Molmil
Crystal structure of a 4-oxalocrotonate tautomerase mutant in complex with nitrostyrene at 2.3 Angstrom
Descriptor: 2-hydroxymuconate tautomerase, trans beta nitrostyrene
Authors:Thunnissen, A.M.W.H, Poddar, H.
Deposit date:2015-07-16
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Using mutability landscapes of a promiscuous tautomerase to guide the engineering of enantioselective Michaelases.
Nat Commun, 7, 2016
5F3W
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BU of 5f3w by Molmil
Structure of the ATPrS-Mre11/Rad50-DNA complex
Descriptor: 27-MER DNA, DNA double-strand break repair Rad50 ATPase,DNA double-strand break repair Rad50 ATPase, DNA double-strand break repair protein Mre11, ...
Authors:Liu, Y.
Deposit date:2015-12-03
Release date:2016-03-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:ATP-dependent DNA binding, unwinding, and resection by the Mre11/Rad50 complex
Embo J., 35, 2016
4LQG
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BU of 4lqg by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor CTT1056
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-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C, Skultetyova, L.
Deposit date:2013-07-18
Release date:2014-12-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structure-Activity Relationship of (18)F-Labeled Phosphoramidate Peptidomimetic Prostate-Specific Membrane Antigen (PSMA)-Targeted Inhibitor Analogues for PET Imaging of Prostate Cancer.
J.Med.Chem., 59, 2016
2DCQ
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BU of 2dcq by Molmil
Fully automated NMR structure determination of the rhodanese homology domain At4g01050(175-295) from Arabidopsis thaliana
Descriptor: Putative protein At4g01050
Authors:Lopez-Mendez, B, Guntert, P.
Deposit date:2006-01-12
Release date:2006-10-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Automated protein structure determination from NMR spectra
J.AM.CHEM.SOC., 128, 2006
7Q4X
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BU of 7q4x by Molmil
Crystal Structure of Equine Serum Albumin in Complex with Cefaclor
Descriptor: (2S)-2-hydroxybutanedioic acid, ACETATE ION, Albumin, ...
Authors:Duszynski, K, Sekula, B, Bujacz, A.
Deposit date:2021-11-02
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Binding of beta-lactam antibiotics by equine, caprine and ovine serum albumins
To Be Published
5BY6
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BU of 5by6 by Molmil
Crystal structure of Trichinella spiralis thymidylate synthase complexed with dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, ...
Authors:Dowiercial, A, Jarmula, A, Rypniewski, W, Fraczyk, T, Wilk, P, Rode, W.
Deposit date:2015-06-10
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS.
J. Mol. Graph. Model., 77, 2017
7KRM
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BU of 7krm by Molmil
Putative FabG bound to NADH from Acinetobacter baumannii
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Shaw, K.I, Smith, K.M, Cross, E.M.
Deposit date:2020-11-20
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Putative FabG bound to NADH from Acinetobacter baumannii
To Be Published

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