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4LG0
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BU of 4lg0 by Molmil
Structure of a ternary FOXO1-ETS1 DNA complex
Descriptor: CALCIUM ION, DNA (5'-D(*DAP*DAP*DAP*DCP*DAP*DAP*DTP*DAP*DAP*DCP*DAP*DGP*DGP*DAP*DAP*DAP*DCP*DCP*DGP*DTP*DG)-3'), DNA (5'-D(*DTP*DTP*DCP*DAP*DCP*DGP*DGP*DTP*DTP*DTP*DCP*DCP*DTP*DGP*DTP*DTP*DAP*DTP*DTP*DGP*DT)-3'), ...
Authors:Birrane, G, Choy, W.C, Datta, D, Geiger, C.A, Grant, M.A.
Deposit date:2013-06-27
Release date:2014-07-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structure of a ternary FOXO1-ETS1 DNA complex
To be Published
1PQJ
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BU of 1pqj by Molmil
T4 LYSOZYME CORE REPACKING MUTANT A111V/CORE10/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Lysozyme, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-06-18
Release date:2003-10-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:REPACKING THE CORE OF T4 LYSOZYME BY AUTOMATED DESIGN
J.Mol.Biol., 332, 2003
1P2L
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BU of 1p2l by Molmil
T4 Lysozyme Core Repacking Mutant V87I/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-15
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1P2R
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BU of 1p2r by Molmil
T4 LYSOZYME CORE REPACKING MUTANT I78V/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-15
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1P46
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BU of 1p46 by Molmil
T4 lysozyme core repacking mutant M106I/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-21
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1P7S
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BU of 1p7s by Molmil
T4 LYSOZYME CORE REPACKING MUTANT V103I/TA
Descriptor: LYSOZYME
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-05-05
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
1P36
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BU of 1p36 by Molmil
T4 LYOSZYME CORE REPACKING MUTANT I100V/TA
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-16
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1PQM
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BU of 1pqm by Molmil
T4 Lysozyme Core Repacking Mutant V149I/T152V/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Lysozyme, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-06-18
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
1PQI
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BU of 1pqi by Molmil
T4 LYSOZYME CORE REPACKING MUTANT I118L/CORE7/TA
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-06-18
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
1PQO
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BU of 1pqo by Molmil
T4 Lysozyme Core Repacking Mutant L118I/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, Lysozyme, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-06-18
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1PQK
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BU of 1pqk by Molmil
Repacking of the Core of T4 Lysozyme by Automated Design
Descriptor: Lysozyme
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-06-18
Release date:2003-10-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
1PQD
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BU of 1pqd by Molmil
T4 LYSOZYME CORE REPACKING MUTANT CORE10/TA
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, Lysozyme, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-06-18
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
1P6Y
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BU of 1p6y by Molmil
T4 LYSOZYME CORE REPACKING MUTANT M120Y/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-30
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Repacking the Core of T4 Lysozyme by Automated Design
J.Mol.Biol., 332, 2003
1P64
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BU of 1p64 by Molmil
T4 LYSOZYME CORE REPACKING MUTANT L133F/TA
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-28
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1P37
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BU of 1p37 by Molmil
T4 LYSOZYME CORE REPACKING BACK-REVERTANT L102M/CORE10
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-16
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
1P3N
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BU of 1p3n by Molmil
CORE REDESIGN BACK-REVERTANT I103V/CORE10
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Mooers, B.H, Datta, D, Baase, W.A, Zollars, E.S, Mayo, S.L, Matthews, B.W.
Deposit date:2003-04-17
Release date:2003-10-07
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Repacking the Core of T4 lysozyme by automated design
J.Mol.Biol., 332, 2003
2H54
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BU of 2h54 by Molmil
Crystal structure of human caspase-1 (Thr388->Ala) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-25
Release date:2008-03-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
2H4W
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BU of 2h4w by Molmil
Crystal structure of human caspase-1 (Glu390->Asp) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-25
Release date:2008-03-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
2H4Y
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BU of 2h4y by Molmil
Crystal structure of human caspase-1 (Arg286->Lys) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-25
Release date:2008-03-11
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
2H51
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BU of 2h51 by Molmil
Crystal structure of human caspase-1 (Glu390->Asp and Arg286->Lys) in complex with 3-[2-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-propionylamino]-4-oxo-pentanoic acid (z-VAD-FMK)
Descriptor: Caspase-1, N-[(benzyloxy)carbonyl]-L-valyl-N-[(2S)-1-carboxy-4-fluoro-3-oxobutan-2-yl]-L-alaninamide
Authors:Scheer, J.M, Wells, J.A, Romanowski, M.J.
Deposit date:2006-05-25
Release date:2008-03-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An allosteric circuit in caspase-1.
J.Mol.Biol., 381, 2008
9Q3C
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BU of 9q3c by Molmil
RNA oligonucleotide containing a 3'-deoxyapio-T
Descriptor: RNA oligonucleotide
Authors:Harp, J.M, Egli, E.
Deposit date:2025-08-18
Release date:2025-11-05
Last modified:2025-12-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Synthesis and Biophysical Properties of 3'-Deoxy-beta-d-apio-d-furanosyl Nucleic Acids.
Acs Chem.Biol., 20, 2025
7VQH
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BU of 7vqh by Molmil
Solution NMR structure of Escherichia coli Total Lipid Extract Bicelle bound VR18 Antimicrobial Peptide
Descriptor: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG (VR18)
Authors:Mohid, S.A, Bhunia, A.
Deposit date:2021-10-20
Release date:2022-01-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A rationally designed synthetic antimicrobial peptide against Pseudomonas-associated corneal keratitis: Structure-function correlation.
Biophys.Chem., 286, 2022
7VQI
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BU of 7vqi by Molmil
Solution NMR structure of Pseudomonas aeruginosa Lipopolysaccharide (LPS) Bicelle bound VR18 Antimicrobial Peptide
Descriptor: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG (VR18)
Authors:Mohid, S.A, Bhunia, A.
Deposit date:2021-10-20
Release date:2022-01-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A rationally designed synthetic antimicrobial peptide against Pseudomonas-associated corneal keratitis: Structure-function correlation.
Biophys.Chem., 286, 2022
8SKQ
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BU of 8skq by Molmil
RNA oligonucleotide containing an alpha-(L)-threofuranosyl nucleic acid (TNA)
Descriptor: TNA-containing RNA oligonucleotide
Authors:Harp, J.M, Egli, M.
Deposit date:2023-04-20
Release date:2024-02-14
Last modified:2025-07-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Shorter Is Better: The alpha-(l)-Threofuranosyl Nucleic Acid Modification Improves Stability, Potency, Safety, and Ago2 Binding and Mitigates Off-Target Effects of Small Interfering RNAs.
J.Am.Chem.Soc., 145, 2023
8THQ
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BU of 8thq by Molmil
Nonamer RNA bound to hAgo2-PAZ
Descriptor: Protein argonaute-2, RNA (5'-R(*CP*GP*UP*GP*AP*CP*UP*CP*U)-3')
Authors:Pallan, P.S, Harp, J.M, Egli, M.
Deposit date:2023-07-17
Release date:2024-10-16
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Single-Stranded Hairpin Loop RNAs (loopmeRNAs) Potently Induce Gene Silencing through the RNA Interference Pathway.
J.Am.Chem.Soc., 2024

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