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3IST
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BU of 3ist by Molmil
Crystal structure of glutamate racemase from Listeria monocytogenes in complex with succinic acid
Descriptor: CHLORIDE ION, Glutamate racemase, SUCCINIC ACID
Authors:Majorek, K.A, Chruszcz, M, Skarina, T, Onopriyenko, O, Stam, J, Anderson, W.F, Savchenko, A, Bujnicki, J.M, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-08-27
Release date:2009-09-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of glutamate racemase from Listeria monocytogenes in complex with succinic acid
TO BE PUBLISHED
6XUE
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BU of 6xue by Molmil
Human Ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in the closed form in crystal form IV
Descriptor: 4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile, 5'-nucleotidase, CALCIUM ION, ...
Authors:Strater, N.
Deposit date:2020-01-19
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Discovery of Potent and Selective Non-Nucleotide Small Molecule Inhibitors of CD73.
J.Med.Chem., 63, 2020
6Y1J
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BU of 6y1j by Molmil
14-3-3 sigma in complex with IkappaBalpha pS63 peptide
Descriptor: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
Authors:Wolter, M, Ottmann, C.
Deposit date:2020-02-12
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.127 Å)
Cite:Interaction of an I kappa B alpha Peptide with 14-3-3.
Acs Omega, 5, 2020
6Y22
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BU of 6y22 by Molmil
RING-DTC domains of Deltex 2, Form 1
Descriptor: Probable E3 ubiquitin-protein ligase DTX2, ZINC ION
Authors:Gabrielssen, M, Buetow, L, Huang, D.T.
Deposit date:2020-02-14
Release date:2020-09-02
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.069 Å)
Cite:DELTEX2 C-terminal domain recognizes and recruits ADP-ribosylated proteins for ubiquitination.
Sci Adv, 6, 2020
6Y2L
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BU of 6y2l by Molmil
Structure of human ribosome in POST state
Descriptor: 18S ribosomal RNA, 28S ribosomal RNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ...
Authors:Bhaskar, V, Schenk, A.D, Cavadini, S, von Loeffelholz, O, Natchiar, S.K, Klaholz, B.P, Chao, J.A.
Deposit date:2020-02-16
Release date:2020-04-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Dynamics of uS19 C-Terminal Tail during the Translation Elongation Cycle in Human Ribosomes.
Cell Rep, 31, 2020
6Y9Y
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BU of 6y9y by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-7,13)
Descriptor: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
Authors:Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
Deposit date:2020-03-10
Release date:2020-08-19
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (6.1 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6YDJ
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BU of 6ydj by Molmil
P146A variant of beta-phosphoglucomutase from Lactococcus lactis in complex with glucose 6-phosphate and trifluoromagnesate
Descriptor: 1,2-ETHANEDIOL, 1,3-PROPANDIOL, 6-O-phosphono-beta-D-glucopyranose, ...
Authors:Wood, H.P, Cruz-Navarrete, F.A, Baxter, N.J, Trevitt, C.R, Robertson, A.J, Dix, S.R, Hounslow, A.M, Cliff, M.J, Waltho, J.P.
Deposit date:2020-03-20
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Allomorphy as a mechanism of post-translational control of enzyme activity.
Nat Commun, 11, 2020
6YAC
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BU of 6yac by Molmil
Plant PSI-ferredoxin supercomplex
Descriptor: (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
Authors:Caspy, I, Nelson, N, Shkolnisky, Y, Klaiman, D, Sheinker, A.
Deposit date:2020-03-12
Release date:2020-09-30
Last modified:2020-10-21
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:The structure of a triple complex of plant photosystem I with ferredoxin and plastocyanin.
Nat.Plants, 6, 2020
2O4A
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BU of 2o4a by Molmil
Crystal Structure of the N-terminal CUT Domain of SATB1 Bound to Matrix Attachment Region DNA
Descriptor: DNA (5'-D(*DGP*DCP*DAP*DTP*DAP*DTP*DAP*DTP*DTP*DAP*DGP*DC)-3'), DNA (5'-D(*DGP*DCP*DTP*DAP*DAP*DTP*DAP*DTP*DAP*DTP*DGP*DC)-3'), DNA-binding protein SATB1
Authors:Yamasaki, K, Akiba, T, Harata, K.
Deposit date:2006-12-04
Release date:2007-08-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for recognition of the matrix attachment region of DNA by transcription factor SATB1.
Nucleic Acids Res., 35, 2007
6YDK
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BU of 6ydk by Molmil
Substrate-free P146A variant of beta-phosphoglucomutase from Lactococcus lactis
Descriptor: Beta-phosphoglucomutase, MAGNESIUM ION
Authors:Wood, H.P, Cruz-Navarrete, F.A, Baxter, N.J, Trevitt, C.R, Robertson, A.J, Dix, S.R, Hounslow, A.M, Cliff, M.J, Waltho, J.P.
Deposit date:2020-03-20
Release date:2020-10-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Allomorphy as a mechanism of post-translational control of enzyme activity.
Nat Commun, 11, 2020
6YEH
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BU of 6yeh by Molmil
Arabidopsis thaliana glutamate dehydrogenase isoform 1 in apo form
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Glutamate dehydrogenase 1, POTASSIUM ION
Authors:Ruszkowski, M, Grzechowiak, M, Jaskolski, M.
Deposit date:2020-03-24
Release date:2020-05-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural Studies of Glutamate Dehydrogenase (Isoform 1) FromArabidopsis thaliana, an Important Enzyme at the Branch-Point Between Carbon and Nitrogen Metabolism.
Front Plant Sci, 11, 2020
6YOB
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BU of 6yob by Molmil
Structure of Lysozyme from COC IMISX setup collected by rotation serial crystallography on crystals prelocated by 2D X-ray phase-contrast imaging
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, ACETIC ACID, BROMIDE ION, ...
Authors:Huang, C.-Y, Martiel, I, Villanueva-Perez, P, Panepucci, E, Caffrey, M, Wang, M.
Deposit date:2020-04-14
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Low-dose in situ prelocation of protein microcrystals by 2D X-ray phase-contrast imaging for serial crystallography.
Iucrj, 7, 2020
6YG9
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BU of 6yg9 by Molmil
CRYSTAL STRUCTURE OF HUMAN SERUM ALBUMIN (HSA) IN COMPLEX WITH GN-07.
Descriptor: 20-[[(2~{S})-5-[2-[2-[2-[2-[2-[2-(diethylamino)-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-2-oxidanylidene-ethoxy]ethoxy]ethylamino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]-20-oxidanylidene-icosanoic acid, MYRISTIC ACID, Serum albumin
Authors:Schreuder, H.A, Liesum, A.
Deposit date:2020-03-27
Release date:2021-01-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Triantennary GalNAc Molecular Imaging Probes for Monitoring Hepatocyte Function in a Rat Model of Nonalcoholic Steatohepatitis.
Adv Sci, 7, 2020
6YPG
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BU of 6ypg by Molmil
Crystal Structure of CK2alpha with Compound 2 bound to second crystal form
Descriptor: 4-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxidanyl-benzoic acid, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, Hyvonen, M.
Deposit date:2020-04-16
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
6YPK
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BU of 6ypk by Molmil
Crystal Structure of CK2alpha with GTP bound
Descriptor: Casein kinase II subunit alpha, GUANOSINE-5'-DIPHOSPHATE
Authors:Brear, P, Hyvonen, M.
Deposit date:2020-04-16
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Proposed Allosteric Inhibitors Bind to the ATP Site of CK2 alpha.
J.Med.Chem., 63, 2020
6YJ4
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BU of 6yj4 by Molmil
Structure of Yarrowia lipolytica complex I at 2.7 A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Acyl carrier protein ACPM1 of NADH:Ubiquinone Oxidoreductase (Complex I), Acyl carrier protein ACPM2 of NADH:Ubiquinone Oxidoreductase (Complex I), ...
Authors:Hirst, J, Grba, D.
Deposit date:2020-04-02
Release date:2020-08-12
Last modified:2021-03-17
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Mitochondrial complex I structure reveals ordered water molecules for catalysis and proton translocation.
Nat.Struct.Mol.Biol., 27, 2020
6Y9W
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BU of 6y9w by Molmil
Structure of the native full-length HIV-1 capsid protein in complex with Cyclophilin A from helical assembly (-13,8)
Descriptor: Gag-Pol polyprotein, Peptidyl-prolyl cis-trans isomerase A
Authors:Ni, T, Gerard, S, Zhao, G, Ning, J, Zhang, P.
Deposit date:2020-03-10
Release date:2020-08-19
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
6XV0
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BU of 6xv0 by Molmil
lauric acid functionalized hexamolybdoaluminate bound to human serum albumin
Descriptor: MYRISTIC ACID, Serum albumin, lauric acid functionalized hexamolybdoaluminate
Authors:Bijelic, A, Dobrov, A, Roller, A, Rompel, A.
Deposit date:2020-01-21
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Binding of a Fatty Acid-Functionalized Anderson-Type Polyoxometalate to Human Serum Albumin.
Inorg.Chem., 59, 2020
6XVC
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BU of 6xvc by Molmil
CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 1
Descriptor: (4~{R})-4-[(1~{R})-1-[7-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-01-21
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.098 Å)
Cite:PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020
6X89
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BU of 6x89 by Molmil
Vigna radiata mitochondrial complex I*
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Letts, J.A, Maldonado, M, Padavannil, A, Zhou, L, Guo, F.
Deposit date:2020-06-01
Release date:2020-09-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Atomic structure of a mitochondrial complex I intermediate from vascular plants.
Elife, 9, 2020
6X99
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BU of 6x99 by Molmil
Structure of proline utilization A with D-proline bound in the L-glutamate-gamma-semialdehyde dehydrogenase active site
Descriptor: Bifunctional protein PutA, D-PROLINE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Tanner, J.J, Campbell, A.C.
Deposit date:2020-06-02
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural analysis of prolines and hydroxyprolines binding to the l-glutamate-gamma-semialdehyde dehydrogenase active site of bifunctional proline utilization A.
Arch.Biochem.Biophys., 698, 2020
6XVD
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BU of 6xvd by Molmil
Crystal structure of complex of urokinase and a upain-1 variant(W3F) in pH7.4 condition
Descriptor: Urokinase-type plasminogen activator, upain-1-W3F
Authors:Xue, G.P, Xie, X, Zhou, Y, Yuan, C, Huang, M.D, Jiang, L.G.
Deposit date:2020-01-21
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Insight to the residue in P2 position prevents the peptide inhibitor from being hydrolyzed by serine proteases.
Biosci.Biotechnol.Biochem., 84, 2020
6XDH
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BU of 6xdh by Molmil
Crystal Structure of NendoU (Uridylate-specific endoribonuclease, nsp15) from Betacoronavirus SARS-CoV-2
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CITRIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-06-10
Release date:2020-06-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of NendoU (Uridylate-specific endoribonuclease, nsp15) from Betacoronavirus SARS-CoV-2
to be published
6XUV
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BU of 6xuv by Molmil
Crystallographic structure of oligosaccharide dehydrogenase from Pycnoporus cinnabarinus, laminaribiose-bound form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Cerutti, G, Savino, C, Montemiglio, L.C, Vallone, B, Sciara, G.
Deposit date:2020-01-21
Release date:2021-02-03
Last modified:2021-08-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure and functional characterization of an oligosaccharide dehydrogenase from Pycnoporus cinnabarinus provides insights into fungal breakdown of lignocellulose.
Biotechnol Biofuels, 14, 2021
6XV7
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BU of 6xv7 by Molmil
CRYSTAL STRUCTURE OF BRD4-BD1 WITH COMPOUND 2
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[3,4-bis(fluoranyl)phenyl]methyl]-~{N},3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
Authors:Bader, G, Kessler, D, Wolkerstorfer, B.
Deposit date:2020-01-21
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.668 Å)
Cite:PI by NMR: Probing CH-pi Interactions in Protein-Ligand Complexes by NMR Spectroscopy.
Angew.Chem.Int.Ed.Engl., 59, 2020

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