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1TUH
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BU of 1tuh by Molmil
Structure of Bal32a from a Soil-Derived Mobile Gene Cassette
Descriptor: ACETATE ION, hypothetical protein EGC068
Authors:Robinson, A, Wu, P.S.-C, Harrop, S.J, Schaeffer, P.M, Dixon, N.E, Gillings, M.R, Holmes, A.J, Nevalainen, K.M.H, Otting, G, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C.
Deposit date:2004-06-25
Release date:2004-07-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Integron-associated Mobile Gene Cassettes Code for Folded Proteins: The Structure of Bal32a, a New Member of the Adaptable alpha+beta Barrel Family
J.Mol.Biol., 346, 2005
1UCP
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BU of 1ucp by Molmil
NMR structure of the PYRIN domain of human ASC
Descriptor: Apoptosis-associated speck-like protein containing a CARD
Authors:Liepinsh, E, Barbals, R, Dahl, E, Sharipo, A, Staub, E, Otting, G.
Deposit date:2003-04-16
Release date:2003-11-04
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:The death-domain fold of the ASC PYRIN domain, presenting a basis for PYRIN/PYRIN recognition
J.Mol.Biol., 332, 2003
2AXD
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BU of 2axd by Molmil
solution structure of the theta subunit of escherichia coli DNA polymerase III in complex with the epsilon subunit
Descriptor: DNA polymerase III, theta subunit
Authors:Keniry, M.A, Park, A.Y, Owen, E.A, Hamdan, S.M, Pintacuda, G, Otting, G, Dixon, N.E.
Deposit date:2005-09-05
Release date:2006-07-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structure of the theta subunit of Escherichia coli DNA polymerase III in complex with the epsilon subunit
J.Bacteriol., 188, 2006
1J3G
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BU of 1j3g by Molmil
Solution structure of Citrobacter Freundii AmpD
Descriptor: AmpD protein, ZINC ION
Authors:Liepinsh, E, Genereux, C, Dehareng, D, Joris, B, Otting, G.
Deposit date:2003-01-31
Release date:2003-02-18
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR Structure of Citrobacter freundii AmpD, Comparison with Bacteriophage T7 Lysozyme and Homology with PGRP Domains
J.Mol.Biol., 327, 2003
1J5B
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BU of 1j5b by Molmil
Solution structure of a hydrophobic analogue of the winter flounder antifreeze protein
Descriptor: Antifreeze protein type 1 analogue
Authors:Liepinsh, E, Otting, G, Harding, M.M, Ward, L.G, Mackay, J.P, Haymet, A.D.
Deposit date:2002-03-22
Release date:2002-03-27
Last modified:2024-11-13
Method:SOLUTION NMR
Cite:Solution structure of a hydrophobic analogue of the winter flounder antifreeze protein.
Eur.J.Biochem., 269, 2002
1JWE
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BU of 1jwe by Molmil
NMR Structure of the N-Terminal Domain of E. Coli Dnab Helicase
Descriptor: PROTEIN (DNAB HELICASE)
Authors:Weigelt, J, Brown, S.E, Miles, C.S, Dixon, N.E, Otting, G.
Deposit date:1999-01-22
Release date:1999-01-27
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:NMR structure of the N-terminal domain of E. coli DnaB helicase: implications for structure rearrangements in the helicase hexamer.
Structure Fold.Des., 7, 1999
1JBI
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BU of 1jbi by Molmil
NMR structure of the LCCL domain
Descriptor: cochlin
Authors:Liepinsh, E, Trexler, M, Kaikkonen, A, Weigelt, J, Banyai, L, Patthy, L, Otting, G.
Deposit date:2001-06-05
Release date:2001-10-17
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:NMR structure of the LCCL domain and implications for DFNA9 deafness disorder.
EMBO J., 20, 2001
2D3J
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BU of 2d3j by Molmil
NMR structure of the WIF domain from human WIF-1
Descriptor: Wnt inhibitory factor-1
Authors:Liepinsh, E, Banyai, L, Patthy, L, Otting, G.
Deposit date:2005-09-29
Release date:2006-04-25
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:NMR structure of the WIF domain of the human Wnt-inhibitory factor-1
J.Mol.Biol., 357, 2006
2DDI
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BU of 2ddi by Molmil
NMR structure of the second Kunitz domain of human WFIKKN1
Descriptor: WAP, follistatin/kazal, immunoglobulin, ...
Authors:Liepinsh, E, Otting, G.
Deposit date:2006-01-30
Release date:2006-12-19
Last modified:2024-10-16
Method:SOLUTION NMR
Cite:Second Kunitz-type protease inhibitor domain of the human WFIKKN1 protein
J.Biomol.Nmr, 35, 2006
2AYA
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BU of 2aya by Molmil
Solution Structure of the C-Terminal 14 kDa Domain of the tau subunit from Escherichia coli DNA Polymerase III
Descriptor: DNA polymerase III subunit tau
Authors:Jergic, S, Dixon, N.E, Otting, G, Su, X.C.
Deposit date:2005-09-07
Release date:2006-11-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of Domains IVa and V of the tau subunit of Escherichia coli DNA polymerase III and interaction with the alpha subunit.
Nucleic Acids Res., 35, 2007
2DDJ
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BU of 2ddj by Molmil
NMR structure of the second Kunitz domain of human WFIKKN1
Descriptor: WAP, follistatin/kazal, immunoglobulin, ...
Authors:Liepinsh, E, Otting, G.
Deposit date:2006-01-30
Release date:2006-12-19
Last modified:2024-10-30
Method:SOLUTION NMR
Cite:Second Kunitz-type protease inhibitor domain of the human WFIKKN1 protein
J.Biomol.Nmr, 35, 2006
9CLD
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BU of 9cld by Molmil
Crystal structure of maltose binding protein (Apo)
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Habel, E, Frkic, R.L, Jackson, C.J, Huber, T, Otting, G.
Deposit date:2024-07-10
Release date:2024-12-18
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Rendering Proteins Fluorescent Inconspicuously: Genetically Encoded 4-Cyanotryptophan Conserves Their Structure and Enables the Detection of Ligand Binding Sites.
Angew.Chem.Int.Ed.Engl., 64, 2025
9CLC
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BU of 9clc by Molmil
Crystal structure of maltose binding protein (Apo), mutant Trp10 to 4-Cyanotryptophan
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Habel, E, Frkic, R.L, Jackson, C.J, Huber, T, Otting, G.
Deposit date:2024-07-10
Release date:2024-12-18
Last modified:2025-03-19
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Rendering Proteins Fluorescent Inconspicuously: Genetically Encoded 4-Cyanotryptophan Conserves Their Structure and Enables the Detection of Ligand Binding Sites.
Angew.Chem.Int.Ed.Engl., 64, 2025
4UAM
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BU of 4uam by Molmil
1.8 Angstrom crystal structure of IMP-1 metallo-beta-lactamase with a mixed iron-zinc center in the active site
Descriptor: CITRATE ANION, FE (III) ION, IMP-1 metallo-beta-lactamase, ...
Authors:Carruthers, T.J, Carr, P.D, Jackson, C.J, Otting, G.
Deposit date:2014-08-11
Release date:2014-09-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Iron(III) Located in the Dinuclear Metallo-beta-Lactamase IMP-1 by Pseudocontact Shifts.
Angew.Chem.Int.Ed.Engl., 53, 2014
1WNJ
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BU of 1wnj by Molmil
NMR structure of human coactosin-like protein
Descriptor: Coactosin-like protein
Authors:Liepinsh, E, Rakonjac, M, Boissonneault, V, Provost, P, Samuelsson, B, Radmark, O, Otting, G.
Deposit date:2004-08-05
Release date:2004-08-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:NMR structure of human coactosin-like protein
J.Biomol.Nmr, 30, 2004
1FTZ
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BU of 1ftz by Molmil
NUCLEAR MAGNETIC RESONANCE SOLUTION STRUCTURE OF THE FUSHI TARAZU HOMEODOMAIN FROM DROSOPHILA AND COMPARISON WITH THE ANTENNAPEDIA HOMEODOMAIN
Descriptor: FUSHI TARAZU PROTEIN
Authors:Qian, Y.Q, Furukubo-Tokunaga, K, Resendez-Perez, D, Muller, M, Gehring, W.J, Wuthrich, K.
Deposit date:1994-01-07
Release date:1994-05-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Nuclear magnetic resonance solution structure of the fushi tarazu homeodomain from Drosophila and comparison with the Antennapedia homeodomain.
J.Mol.Biol., 238, 1994
1SAN
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BU of 1san by Molmil
THE DES(1-6)ANTENNAPEDIA HOMEODOMAIN: COMPARISON OF THE NMR SOLUTION STRUCTURE AND THE DNA BINDING AFFINITY WITH THE INTACT ANTENNAPEDIA HOMEODOMAIN
Descriptor: ANTENNAPEDIA PROTEIN
Authors:Qian, Y.Q, Resendez-Perez, D, Gehring, W.J, Wuthrich, K.
Deposit date:1994-01-07
Release date:1994-04-30
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The des(1-6)antennapedia homeodomain: comparison of the NMR solution structure and the DNA-binding affinity with the intact Antennapedia homeodomain.
Proc.Natl.Acad.Sci.USA, 91, 1994
9C5D
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BU of 9c5d by Molmil
E. coli peptidyl-prolyl cis-trans isomerase containing (2S,3S)-4-Fluorovaline
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ACETATE ION, ...
Authors:Frkic, R.L, Jackson, C.J.
Deposit date:2024-06-06
Release date:2024-10-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:1.3 angstrom Crystal Structure of E. coli Peptidyl-Prolyl Isomerase B with Uniform Substitution of Valine by (2 S ,3 S )-4-Fluorovaline Reveals Structure Conservation and Multiple Staggered Rotamers of CH 2 F Groups.
Biochemistry, 63, 2024
6WUP
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BU of 6wup by Molmil
Crystal structure of an ancestral cyclohexadienyl dehydratase, AncCDT-5
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Ancestral cyclohexadienyl dehydratase, AncCDT-5, ...
Authors:Kaczmarski, J.A, Mahawaththa, M.C.
Deposit date:2020-05-05
Release date:2020-05-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Altered conformational sampling along an evolutionary trajectory changes the catalytic activity of an enzyme.
Nat Commun, 11, 2020
7RNW
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BU of 7rnw by Molmil
SARS-CoV-2 Main Protease in complex with a cyclic peptide inhibitor
Descriptor: 3C-like proteinase, ACE-DTY-LEU-GLN-TYR-ALA-VAL-LEU-ARG-HIS-LYS-ARG-ARG-GLU-SEC
Authors:Frkic, R.L, Jackson, C.J.
Deposit date:2021-07-30
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Antiviral cyclic peptides targeting the main protease of SARS-CoV-2.
Chem Sci, 13, 2022
2XY8
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BU of 2xy8 by Molmil
Paramagnetic-based NMR structure of the complex between the N- terminal epsilon domain and the theta domain of the DNA polymerase III
Descriptor: CALCIUM ION, DNA POLYMERASE III SUBUNIT EPSILON, DNA POLYMERASE III SUBUNIT THETA
Authors:Schmitz, C, Bonvin, A.M.J.J.
Deposit date:2010-11-16
Release date:2011-06-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein-Protein Haddocking Using Exclusively Pseudocontact Shifts.
J.Biomol.NMR, 50, 2011
6JPW
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BU of 6jpw by Molmil
Crystal structure of Zika NS2B-NS3 protease with compound 1C
Descriptor: NS3 protease, SER-C0F-GLY-LYS-ARG-LYS, Serine protease subunit NS2B
Authors:Quek, J.P.
Deposit date:2019-03-28
Release date:2019-06-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Biocompatible Macrocyclization between Cysteine and 2-Cyanopyridine Generates Stable Peptide Inhibitors.
Org.Lett., 21, 2019
7R6O
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BU of 7r6o by Molmil
Pyrrolysyl-tRNA synthetase from methanogenic archaeon ISO4-G1 (G1PylRS)
Descriptor: 1,2-ETHANEDIOL, Pyrrolysyl-tRNA synthetase PylS, SULFATE ION
Authors:Frkic, R.L, Huber, T, Jackson, C.J.
Deposit date:2021-06-23
Release date:2022-03-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Genetic Encoding of Cyanopyridylalanine for In-Cell Protein Macrocyclization by the Nitrile-Aminothiol Click Reaction.
Angew.Chem.Int.Ed.Engl., 61, 2022
4MZ9
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BU of 4mz9 by Molmil
Revised structure of E. coli SSB
Descriptor: Single-stranded DNA-binding protein
Authors:Oakley, A.J.
Deposit date:2013-09-29
Release date:2013-12-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Intramolecular binding mode of the C-terminus of Escherichia coli single-stranded DNA binding protein determined by nuclear magnetic resonance spectroscopy.
Nucleic Acids Res., 42, 2014
8VRH
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BU of 8vrh by Molmil
E. coli peptidyl-prolyl cis-trans isomerase containing delta2-monofluoro-leucines
Descriptor: 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Frkic, R.L, Jackson, C.J.
Deposit date:2024-01-22
Release date:2024-05-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Conformational Preferences of the Non-Canonical Amino Acids (2 S ,4 S )-5-Fluoroleucine, (2 S ,4 R )-5-Fluoroleucine, and 5,5'-Difluoroleucine in a Protein.
Biochemistry, 63, 2024

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