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6L2D
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BU of 6l2d by Molmil
Crystal structure of a cupin protein (tm1459) in copper (Cu) substituted form
Descriptor: COPPER (II) ION, Cupin_2 domain-containing protein
Authors:Fujieda, N, Ichihashi, H, Nishikawa, Y, Kurisu, G, Itoh, S.
Deposit date:2019-10-03
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.198 Å)
Cite:Cupin Variants as a Macromolecular Ligand Library for Stereoselective Michael Addition of Nitroalkanes.
Angew.Chem.Int.Ed.Engl., 59, 2020
3DMK
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BU of 3dmk by Molmil
Crystal structure of Down Syndrome Cell Adhesion Molecule (DSCAM) isoform 1.30.30, N-terminal eight Ig domains
Descriptor: 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Down Syndrome Cell Adhesion Molecule (DSCAM) isoform 1.30.30, ...
Authors:Sawaya, M.R, Wojtowicz, W.M, Eisenberg, D, Zipursky, S.L.
Deposit date:2008-07-01
Release date:2008-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (4.19 Å)
Cite:A double S shape provides the structural basis for the extraordinary binding specificity of Dscam isoforms.
Cell(Cambridge,Mass.), 134, 2008
1W5V
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BU of 1w5v by Molmil
HIV-1 protease in complex with fluoro substituted diol-based C2- symmetric inhibitor
Descriptor: HIV-1 PROTEASE, N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL]
Authors:Lindberg, J, Pyring, D, Loewgren, S, Rosenquist, A, Zuccarello, G, Kvarnstroem, I, Zhang, H, Vrang, L, Claesson, B, Hallberg, A, Samuelsson, B, Unge, T.
Deposit date:2004-08-10
Release date:2004-12-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Symmetric Fluoro-Substituted Diol-Based HIV Protease Inhibitors. Ortho-Fluorinated and Meta-Fluorinated P1/P1'-Benzyloxy Side Groups Significantly Improve the Antiviral Activity and Preserve Binding Efficacy
Eur.J.Biochem., 271, 2004
2BH2
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BU of 2bh2 by Molmil
Crystal Structure of E. coli 5-methyluridine methyltransferase RumA in complex with ribosomal RNA substrate and S-adenosylhomocysteine.
Descriptor: 23S RIBOSOMAL RNA 1932-1968, 23S RRNA (URACIL-5-)-METHYLTRANSFERASE RUMA, IRON/SULFUR CLUSTER, ...
Authors:Lee, T.T, Agarwalla, S, Stroud, R.M.
Deposit date:2005-01-06
Release date:2005-03-30
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A Unique RNA Fold in the Ruma-RNA-Cofactor Ternary Complex Contributes to Substrate Selectivity and Enzymatic Function
Cell(Cambridge,Mass.), 120, 2005
3Q7X
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BU of 3q7x by Molmil
Crystal structure of Symfoil-4P/PV1: de novo designed beta-trefoil architecture with symmetric primary structure, primitive version 1
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, de novo designed beta-trefoil architecture with symmetric primary structure
Authors:Blaber, M, Lee, J.
Deposit date:2011-01-05
Release date:2012-01-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Simplified protein design biased for prebiotic amino acids yields a foldable, halophilic protein.
Proc.Natl.Acad.Sci.USA, 110, 2013
5CVN
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BU of 5cvn by Molmil
WDR48 (2-580):USP46~ubiquitin ternary complex
Descriptor: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 46, WD repeat-containing protein 48, ...
Authors:Harris, S.F, Yin, J.
Deposit date:2015-07-27
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.36 Å)
Cite:Structural Insights into WD-Repeat 48 Activation of Ubiquitin-Specific Protease 46.
Structure, 23, 2015
6XNG
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BU of 6xng by Molmil
MHC-like protein complex structure
Descriptor: (3R)-N-[(2S,3R)-1-(alpha-D-galactopyranosyloxy)-3-hydroxyheptadecan-2-yl]-3-hydroxyheptadecanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d1, ...
Authors:Thirunavukkarasu, P, Le Nours, J, Rossjohn, J.
Deposit date:2020-07-02
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Host immunomodulatory lipids created by symbionts from dietary amino acids.
Nature, 600, 2021
2I3C
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BU of 2i3c by Molmil
Crystal Structure of an Aspartoacylase from Homo Sapiens
Descriptor: Aspartoacylase, PHOSPHATE ION, ZINC ION
Authors:Bitto, E, Wesenberg, G.E, Phillips Jr, G.N, Mccoy, J.G, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2006-08-17
Release date:2006-08-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of aspartoacylase, the brain enzyme impaired in Canavan disease.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3DVW
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BU of 3dvw by Molmil
Crystal structure of reduced DsbA1 from Neisseria meningitidis
Descriptor: Thiol:disulfide interchange protein DsbA
Authors:Lafaye, C, Serre, L.
Deposit date:2008-07-21
Release date:2009-08-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Biochemical and structural study of the homologues of the thiol-disulfide oxidoreductase DsbA in Neisseria meningitidis.
J.Mol.Biol., 392, 2009
3DVX
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BU of 3dvx by Molmil
Crystal structure of reduced DsbA3 from Neisseria meningitidis
Descriptor: SULFATE ION, Thiol:disulfide interchange protein DsbA
Authors:Lafaye, C, Serre, L.
Deposit date:2008-07-21
Release date:2009-08-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Biochemical and structural study of the homologues of the thiol-disulfide oxidoreductase DsbA in Neisseria meningitidis.
J.Mol.Biol., 392, 2009
1SES
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BU of 1ses by Molmil
CRYSTAL STRUCTURES AT 2.5 ANGSTROMS RESOLUTION OF SERYL-TRNA SYNTHETASE COMPLEXED WITH TWO DIFFERENT ANALOGUES OF SERYL-ADENYLATE
Descriptor: ADENOSINE MONOPHOSPHATE, SERYL-HYDROXAMATE-ADENOSINE MONOPHOSPHATE, SERYL-tRNA SYNTHETASE
Authors:Cusack, S, Belrhali, H.
Deposit date:1994-02-21
Release date:1994-07-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures at 2.5 angstrom resolution of seryl-tRNA synthetase complexed with two analogs of seryl adenylate.
Science, 263, 1994
7UNX
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BU of 7unx by Molmil
NMR solution structure of xanthusin-1
Descriptor: Xanthusin-1
Authors:Harvey, P.J, Craik, D.J.
Deposit date:2022-04-12
Release date:2023-04-19
Method:SOLUTION NMR
Cite:Discovery of five classes of bacterial defensins: ancestral precursors of defensins from Eukarya?
To Be Published
6XEH
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BU of 6xeh by Molmil
Solution NMR Structure of DE NOVO DESIGNED Rossmann 2x3 Fold Protein r2x3_168, Northeast Structural Genomics Consortium (NESG) Target OR386
Descriptor: DE NOVO DESIGNED OR386
Authors:Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2020-06-12
Release date:2020-08-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Role of backbone strain in de novo design of complex alpha/beta protein structures Accurate de novo design of asymetric alpha/beta proteins with ten or more secondary structure elements requires consideration of backbone strain Design principle proposed from designed larger alpha/beta-proteins not folded as designed: Consistency between local, non-local, and global structures
To Be Published
6Y9M
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BU of 6y9m by Molmil
Crystal structure of TSWV glycoprotein N ectodomain (sGn)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, PHOSPHATE ION, ...
Authors:Dessau, M, Bahat, Y.
Deposit date:2020-03-10
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of tomato spotted wilt virus G N reveals a dimer complex formation and evolutionary link to animal-infecting viruses
Proc.Natl.Acad.Sci.USA, 117, 2020
7UBO
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BU of 7ubo by Molmil
Crystal Structure of the first bromodomain of human BRDT in complex with the inhibitor CCD-956
Descriptor: Bromodomain testis-specific protein, DIMETHYL SULFOXIDE, N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide
Authors:Ta, H.M, Modukuri, R.K, Yu, Z, Tan, Z, Matzuk, M.M, Kim, C.
Deposit date:2022-03-15
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery of potent BET bromodomain 1 stereoselective inhibitors using DNA-encoded chemical library selections.
Proc.Natl.Acad.Sci.USA, 119, 2022
6Y9L
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BU of 6y9l by Molmil
Crystal structure of TSWV glycoprotein N ectodomain (sGn)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein, ...
Authors:Dessau, M, Bahat, Y.
Deposit date:2020-03-09
Release date:2020-09-30
Last modified:2021-04-14
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Crystal structure of tomato spotted wilt virus G N reveals a dimer complex formation and evolutionary link to animal-infecting viruses
Proc.Natl.Acad.Sci.USA, 117, 2020
2GCU
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BU of 2gcu by Molmil
X-Ray Structure of Gene Product from Arabidopsis Thaliana At1g53580
Descriptor: 1,2-ETHANEDIOL, FE (II) ION, Putative hydroxyacylglutathione hydrolase 3, ...
Authors:McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2006-03-14
Release date:2006-04-18
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.477 Å)
Cite:Structure of an ETHE1-like protein from Arabidopsis thaliana.
ACTA CRYSTALLOGR.,SECT.D, 62, 2006
7UKM
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BU of 7ukm by Molmil
Cryo-EM structure of Antibody 12-19 in complex with prefusion SARS-CoV-2 Spike glycoprotein
Descriptor: 12-19 Fab Heavy Chain, 12-19 Fab Light Chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Casner, R.G, Shapiro, L.
Deposit date:2022-04-01
Release date:2023-10-04
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structure and Neutralization of two quaternary SARS-CoV-2 omicron antibodies
To Be Published
7SR6
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BU of 7sr6 by Molmil
Human Endogenous Retrovirus (HERV-K) reverse transcriptase ternary complex with dsDNA template Primer and dNTP
Descriptor: 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ...
Authors:Baldwin, E.T, Nichols, C.
Deposit date:2021-11-08
Release date:2022-07-20
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Human endogenous retrovirus-K (HERV-K) reverse transcriptase (RT) structure and biochemistry reveals remarkable similarities to HIV-1 RT and opportunities for HERV-K-specific inhibition.
Proc.Natl.Acad.Sci.USA, 119, 2022
7KQ1
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BU of 7kq1 by Molmil
PCNA bound to truncated peptide mimetic
Descriptor: LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-PHE-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen
Authors:Vandborg, B.A, Bruning, J.B.
Deposit date:2020-11-13
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA.
J.Biol.Chem., 296, 2021
7KQ0
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BU of 7kq0 by Molmil
PCNA bound to peptide mimetic
Descriptor: LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-TYR-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen
Authors:Vandborg, B.A, Bruning, J.B.
Deposit date:2020-11-13
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA.
J.Biol.Chem., 296, 2021
7KC0
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BU of 7kc0 by Molmil
Structure of the Saccharomyces cerevisiae replicative polymerase delta in complex with a primer/template and the PCNA clamp
Descriptor: 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, DNA (25-MER), DNA (5'-D(P*AP*TP*GP*AP*CP*CP*AP*TP*GP*AP*TP*TP*AP*CP*GP*AP*AP*TP*TP*GP*C)-3'), ...
Authors:Zheng, F, Georgescu, R, Li, H, O'Donnell, M.E.
Deposit date:2020-10-04
Release date:2020-12-02
Last modified:2020-12-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of eukaryotic DNA polymerase delta bound to the PCNA clamp while encircling DNA.
Proc.Natl.Acad.Sci.USA, 117, 2020
3EOV
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BU of 3eov by Molmil
Crystal structure of cyclophilin from Leishmania donovani ligated with cyclosporin A
Descriptor: CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE
Authors:Venugopal, V, Dasgupta, D, Datta, A.K, Banerjee, R.
Deposit date:2008-09-29
Release date:2008-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Cyclophilin from Leishmania Donovani Bound to Cyclosporin at 2.6 A Resolution: Correlation between Structure and Thermodynamic Data.
Acta Crystallogr.,Sect.D, 65, 2009
1F7U
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BU of 1f7u by Molmil
CRYSTAL STRUCTURE OF THE ARGINYL-TRNA SYNTHETASE COMPLEXED WITH THE TRNA(ARG) AND L-ARG
Descriptor: ARGININE, ARGINYL-TRNA SYNTHETASE, SULFATE ION, ...
Authors:Delagoutte, B, Moras, D, Cavarelli, J.
Deposit date:2000-06-28
Release date:2001-06-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:tRNA aminoacylation by arginyl-tRNA synthetase: induced conformations during substrates binding
EMBO J., 19, 2000
1F7V
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BU of 1f7v by Molmil
CRYSTAL STRUCTURE OF YEAST ARGINYL-TRNA SYNTHETASE COMPLEXED WITH THE TRNAARG
Descriptor: ARGINYL-TRNA SYNTHETASE, TRNA(ARG)
Authors:Delagoutte, B, Moras, D, Cavarelli, J.
Deposit date:2000-06-28
Release date:2001-06-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:tRNA aminoacylation by arginyl-tRNA synthetase: induced conformations during substrates binding
EMBO J., 19, 2000

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