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5HBD
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BU of 5hbd by Molmil
Filamentous Assembly of Green Fluorescent Protein Supported by a C-terminal fusion of 18-residues, viewed in space group C2
Descriptor: Green fluorescent protein
Authors:Sawaya, M.R, Hochschild, A, Heller, D.M, McPartland, L, Eisenberg, D.S.
Deposit date:2015-12-31
Release date:2017-01-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Green Fluorescent Protein Fusion that Self Assembles as Polar Filaments
to be published
4CD8
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BU of 4cd8 by Molmil
The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManMIm
Descriptor: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose
Authors:Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J.
Deposit date:2013-10-30
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
4CD5
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BU of 4cd5 by Molmil
The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManMIm
Descriptor: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-1,4-BETA MANNANASE, PUTATIVE, ...
Authors:Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J.
Deposit date:2013-10-30
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
4CD7
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BU of 4cd7 by Molmil
The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG and beta-1,4-mannobiose
Descriptor: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose, ...
Authors:Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J.
Deposit date:2013-10-30
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
4CD4
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BU of 4cd4 by Molmil
The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManIFG
Descriptor: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-1,4-BETA MANNANASE, PUTATIVE, ...
Authors:Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J.
Deposit date:2013-10-30
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
4CD6
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BU of 4cd6 by Molmil
The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG
Descriptor: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose
Authors:Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J.
Deposit date:2013-10-30
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
2F3J
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BU of 2f3j by Molmil
The solution structure of the REF2-I mRNA export factor (residues 1-155).
Descriptor: RNA and export factor binding protein 2
Authors:Golovanov, A.P, Hautbergue, G.M, Wilson, S.A, Lian, L.Y.
Deposit date:2005-11-21
Release date:2006-10-31
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The solution structure of REF2-I reveals interdomain interactions and regions involved in binding mRNA export factors and RNA.
Rna, 12, 2006
2JON
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BU of 2jon by Molmil
Solution structure of the C-terminal domain Ole e 9
Descriptor: Beta-1,3-glucanase
Authors:Trevino, M.A, Palomares, O, Castrillo, I, Villalba, M, Rodriguez, R, Rico, M, Santoro, J, Bruix, M.
Deposit date:2007-03-14
Release date:2008-01-29
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Solution structure of the C-terminal domain of Ole e 9, a major allergen of olive pollen
Protein Sci., 17, 2008
2RJM
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BU of 2rjm by Molmil
3Ig structure of titin domains I67-I69 E-to-A mutated variant
Descriptor: Titin
Authors:von Castelmur, E, Marino, M, Labeit, D, Labeit, S, Mayans, O.
Deposit date:2007-10-15
Release date:2008-01-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:A regular pattern of Ig super-motifs defines segmental flexibility as the elastic mechanism of the titin chain
Proc.Natl.Acad.Sci.Usa, 105, 2008
7Z6N
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BU of 7z6n by Molmil
Crystal structure of Zn2+-transporter BbZIP in a metal-stripped state
Descriptor: Putative membrane protein, SULFATE ION
Authors:Wiuf, A, Steffen, J.H, Becares, E.R, Groenberg, C, Mahato, D.R, Rasmussen, S.G.F, Andersson, M, Croll, T, Gotfryd, K, Gourdon, P.
Deposit date:2022-03-13
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:The two-domain elevator-type mechanism of zinc-transporting ZIP proteins.
Sci Adv, 8, 2022
7Z6M
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BU of 7z6m by Molmil
Crystal structure of Zn2+-transporter BbZIP in a cadmium bound state
Descriptor: CADMIUM ION, Putative membrane protein
Authors:Wiuf, A, Steffen, J.H, Becares, E.R, Groenberg, C, Mahato, D.R, Rasmussen, S.G.F, Andersson, M, Croll, T, Gotfryd, K, Gourdon, P.
Deposit date:2022-03-13
Release date:2022-08-10
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:The two-domain elevator-type mechanism of zinc-transporting ZIP proteins.
Sci Adv, 8, 2022
2MMI
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BU of 2mmi by Molmil
Mengovirus Leader: Structural Characterization of the Mengovirus Leader Protein Bound to Ran GTPase by Nuclear Magnetic Resonance
Descriptor: Leader protein, ZINC ION
Authors:Bacot-Davis, V.R, Cornilescu, C.C, Markley, J.L, Palmenberg, A.C.
Deposit date:2014-03-15
Release date:2014-10-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structures of Mengovirus Leader protein, its phosphorylated derivatives, and in complex with nuclear transport regulatory protein, RanGTPase.
Proc.Natl.Acad.Sci.USA, 111, 2014
2MML
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BU of 2mml by Molmil
T47 phosphorylation of the Mengovirus Leader Protein: NMR Studies of the Phosphorylation of the Mengovirus Leader Protein Reveal Stabilization of Intermolecular Domain Interactions
Descriptor: Leader protein, ZINC ION
Authors:Bacot-Davis, V.R, Porter, F.W, Palmenberg, A.C.
Deposit date:2014-03-15
Release date:2014-10-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structures of Mengovirus Leader protein, its phosphorylated derivatives, and in complex with nuclear transport regulatory protein, RanGTPase.
Proc.Natl.Acad.Sci.USA, 111, 2014
3LJF
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BU of 3ljf by Molmil
The X-ray structure of iron superoxide dismutase from Pseudoalteromonas haloplanktis (crystal form II)
Descriptor: FE (III) ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, iron superoxide dismutase
Authors:Merlino, A, Russo Krauss, I, Rossi, B, Conte, M, Vergara, A, Sica, F.
Deposit date:2010-01-26
Release date:2010-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and flexibility in cold-adapted iron superoxide dismutases: the case of the enzyme isolated from Pseudoalteromonas haloplanktis.
J.Struct.Biol., 172, 2010
4PM4
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BU of 4pm4 by Molmil
Structure of a putative periplasmic iron siderophore binding protein (Rv0265c) from Mycobacterium tuberculosis H37Rv
Descriptor: CHLORIDE ION, Iron complex transporter substrate-binding protein, SULFATE ION
Authors:Arbing, M.A, Chan, S, Tran, N, Kuo, E, Lu, J, Harris, L.R, Zhou, T.T, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2014-05-20
Release date:2014-06-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a putative periplasmic iron siderophore binding protein (Rv0265c) from Mycobacterium tuberculosis H37Rv
To Be Published
6RA4
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BU of 6ra4 by Molmil
Human ARGONAUTE-2 PAZ DOMAIN (214-347) IN COMPLEX WITH CGUGACUCU
Descriptor: GLYCEROL, Protein argonaute-2, RNA (5'-R(*CP*GP*UP*GP*AP*CP*UP*CP*U)-3')
Authors:Rondeau, J.-M, Bourgier, E.
Deposit date:2019-04-05
Release date:2019-05-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:How to Computationally Stack the Deck for Hit-to-Lead Generation: In Silico Molecular Interaction Energy Profiling for de Novo siRNA Guide Strand Surrogate Selection.
J.Chem.Inf.Model., 59, 2019
5KQJ
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BU of 5kqj by Molmil
Solution Structure of Antibiotic-Resistance Factor ANT(2'')-Ia Reveals Substrate-Regulated Conformation Dynamics
Descriptor: 2''-aminoglycoside nucleotidyltransferase
Authors:Bacot-Davis, V.R, Berghuis, A.M.
Deposit date:2016-07-06
Release date:2017-07-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Effect of solvent and protein dynamics in ligand recognition and inhibition of aminoglycoside adenyltransferase 2′′-Ia.
Protein Sci., 26, 2017
2MMG
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BU of 2mmg by Molmil
Structural Characterization of the Mengovirus Leader Protein Bound to Ran GTPase by Nuclear Magnetic Resonance
Descriptor: GTP-binding nuclear protein Ran
Authors:Bacot-Davis, V.R, Palmenberg, A.C, Cornilescu, C.C, Markley, J.L.
Deposit date:2014-03-15
Release date:2014-10-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structures of Mengovirus Leader protein, its phosphorylated derivatives, and in complex with nuclear transport regulatory protein, RanGTPase.
Proc.Natl.Acad.Sci.USA, 111, 2014
5LDA
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BU of 5lda by Molmil
Structure of deubiquitinating enzyme homolog (Pyrococcus furiosus JAMM1) in complex with ubiquitin-like SAMP2.
Descriptor: GLYCEROL, JAMM1, SAMP2, ...
Authors:Cao, S, Engilberge, S, Girard, E, Gabel, F, Franzetti, B, Maupin-Furlow, J.A.
Deposit date:2016-06-24
Release date:2017-06-21
Last modified:2022-03-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insight into Ubiquitin-Like Protein Recognition and Oligomeric States of JAMM/MPN(+) Proteases.
Structure, 25, 2017
6RLZ
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BU of 6rlz by Molmil
Crystal Structure of 14-3-3zeta in complex with a macrocyclic 8-mer peptide derived from ExoS
Descriptor: 14-3-3 protein zeta/delta, EtMe
Authors:Wallraven, K, Grossmann, T.N, Hennig, S.
Deposit date:2019-05-03
Release date:2020-03-18
Last modified:2020-03-25
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Adapting free energy perturbation simulations for large macrocyclic ligands: how to dissect contributions from direct binding and free ligand flexibility.
Chem Sci, 11, 2020
2MMH
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BU of 2mmh by Molmil
Unphosphorylated Mengovirus Leader Protein: NMR Studies of the Phosphorylation of the Mengovirus Leader Protein Reveal Stabilization of Intermolecular Domain Interactions
Descriptor: Leader protein, ZINC ION
Authors:Bacot-Davis, V.R, Porter, F.W, Palmenberg, A.C.
Deposit date:2014-03-15
Release date:2014-10-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structures of Mengovirus Leader protein, its phosphorylated derivatives, and in complex with nuclear transport regulatory protein, RanGTPase.
Proc.Natl.Acad.Sci.USA, 111, 2014
5LD9
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BU of 5ld9 by Molmil
Structure of deubiquitinating enzyme homolog, Pyrococcus furiosus JAMM1.
Descriptor: CHLORIDE ION, JAMM1, ZINC ION
Authors:Maupin-Furlow, J.A, Franzetti, B, Cao, S, Girard, E, Gabel, F, Engilberge, S.
Deposit date:2016-06-24
Release date:2017-05-17
Last modified:2022-03-30
Method:X-RAY DIFFRACTION (1.733 Å)
Cite:Structural Insight into Ubiquitin-Like Protein Recognition and Oligomeric States of JAMM/MPN(+) Proteases.
Structure, 25, 2017
7AW2
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BU of 7aw2 by Molmil
MerTK kinase domain with type 1.5 inhibitor from a DNA-encoded library
Descriptor: 5-(2'-chloro-[1,1'-biphenyl]-4-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine, Tyrosine-protein kinase Mer
Authors:Schimpl, M, Nissink, J.W.M, Blackett, C, Goldberg, K, Hennessy, E.J, Hardaker, E, McCoull, W, McMurray, L, Collingwood, O, Overman, R, Pflug, A, Preston, M, Rawlins, P, Rivers, E, Smith, P, Underwood, E, Truman, C, Warwicker, J, Winter, J, Woodcock, S.
Deposit date:2020-11-06
Release date:2021-03-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Generating Selective Leads for Mer Kinase Inhibitors-Example of a Comprehensive Lead-Generation Strategy.
J.Med.Chem., 64, 2021
2MMC
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BU of 2mmc by Molmil
Nucleotide-free human ran gtpase
Descriptor: GTP-binding nuclear protein Ran
Authors:Bacot-Davis, V.R, Palmenberg, A.C.
Deposit date:2014-03-13
Release date:2014-10-22
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Nuclear Magnetic Resonance Structure of Ran GTPase Determines C-terminal Tail Conformational Dynamics.
To be Published
4PHY
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BU of 4phy by Molmil
Functional conservation despite structural divergence in ligand-responsive RNA switches
Descriptor: ACETATE ION, MAGNESIUM ION, RNA (26-MER), ...
Authors:Boerneke, M.A, Dibrov, S.M, Hermann, T.H.
Deposit date:2014-05-07
Release date:2015-02-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Functional conservation despite structural divergence in ligand-responsive RNA switches.
Proc.Natl.Acad.Sci.USA, 111, 2014

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