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5WFL
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BU of 5wfl by Molmil
Kelch domain of human Keap1 in open unliganded conformation
Descriptor: Kelch-like ECH-associated protein 1, SULFATE ION
Authors:Carolan, J.P, Lynch, A.J, Allen, K.N.
Deposit date:2017-07-12
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Interaction Energetics and Druggability of the Protein-Protein Interaction between Kelch-like ECH-Associated Protein 1 (KEAP1) and Nuclear Factor Erythroid 2 Like 2 (Nrf2).
Biochemistry, 59, 2020
5XDI
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BU of 5xdi by Molmil
Vaccatide: Antifungal Glutamine-rich 8C-Hevein-like Peptide, vH1
Descriptor: Vaccatide, vH1
Authors:Xiao, T, Tam, J.P.
Deposit date:2017-03-28
Release date:2017-07-19
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Vaccatides: Antifungal Glutamine-Rich Hevein-Like Peptides from Vaccaria hispanica
Front Plant Sci, 8, 2017
4V4B
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BU of 4v4b by Molmil
Structure of the ribosomal 80S-eEF2-sordarin complex from yeast obtained by docking atomic models for RNA and protein components into a 11.7 A cryo-EM map.
Descriptor: 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S11, ...
Authors:Spahn, C.M, Gomez-Lorenzo, M.G, Grassucci, R.A, Jorgensen, R, Andersen, G.R, Beckmann, R, Penczek, P.A, Ballesta, J.P.G, Frank, J.
Deposit date:2004-01-06
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (11.7 Å)
Cite:Domain movements of elongation factor eEF2 and the eukaryotic 80S ribosome facilitate tRNA translocation.
Embo J., 23, 2004
3KDP
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BU of 3kdp by Molmil
Crystal structure of the sodium-potassium pump
Descriptor: CHOLESTEROL, MAGNESIUM ION, Na+/K+ ATPase gamma subunit transcript variant a, ...
Authors:Morth, J.P, Pedersen, B.P, Nissen, P.
Deposit date:2009-10-23
Release date:2010-02-16
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of the sodium-potassium pump.
Nature, 450, 2007
4UNT
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BU of 4unt by Molmil
Induced monomer of the Mcg variable domain
Descriptor: IG LAMBDA CHAIN V-II REGION MGC, SULFATE ION
Authors:Brumshtein, B, Esswein, S.R, Landau, M, Ryan, C.M, Whitelegge, J.P, Phillips, M.L, Cascio, D, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2014-05-30
Release date:2014-08-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Formation of Amyloid Fibers by Monomeric Light-Chain Variable Domains.
J.Biol.Chem., 289, 2014
4V1R
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BU of 4v1r by Molmil
Structure of a selenomethionine derivative of the GH76 alpha- mannanase BT2949 Bacteroides thetaiotaomicron
Descriptor: 1,2-ETHANEDIOL, ALPHA-1,6-MANNANASE, S,R MESO-TARTARIC ACID
Authors:Thompson, A.J, Cuskin, F, Spears, R.J, Dabin, J, Turkenburg, J.P, Gilbert, H.J, Davies, G.J.
Deposit date:2014-10-02
Release date:2015-02-11
Last modified:2015-02-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the Gh76 Alpha-Mannanase Homolog, Bt2949, from the Gut Symbiont Bacteroides Thetaiotaomicron
Acta Crystallogr.,Sect.D, 71, 2015
8CDQ
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BU of 8cdq by Molmil
Plasmodium falciparum Myosin A full-length, post-rigor state complexed to the inhibitor KNX-002 and Mg.ATP-gamma-S
Descriptor: 1,2-ETHANEDIOL, 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine, GLYCEROL, ...
Authors:Moussaoui, D, Robblee, J.P, Robert-Paganin, J, Auguin, D, Fisher, F, Fagnant, P.M, MacFarlane, J.E, Schaletzky, J, Wehri, E, Mueller-Dieckmann, C, Baum, J, Trybus, K.M, Houdusse, A.
Deposit date:2023-01-31
Release date:2023-06-21
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Mechanism of small molecule inhibition of Plasmodium falciparum myosin A informs antimalarial drug design.
Nat Commun, 14, 2023
3RFU
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BU of 3rfu by Molmil
Crystal structure of a copper-transporting PIB-type ATPase
Descriptor: Copper efflux ATPase, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Gourdon, P, Liu, X, Skjorringe, T, Morth, J.P, Birk Moller, L, Panyella Pedersen, B, Nissen, P.
Deposit date:2011-04-07
Release date:2011-06-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of a copper-transporting PIB-type ATPase.
Nature, 475, 2011
3RI0
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BU of 3ri0 by Molmil
Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins
Descriptor: BB_2cx5_001, GLYCEROL, SULFATE ION
Authors:Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R.
Deposit date:2011-04-12
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
3RIJ
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BU of 3rij by Molmil
Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins
Descriptor: GLYCEROL, SC_2cx5
Authors:Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R.
Deposit date:2011-04-13
Release date:2011-11-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope.
J.Mol.Biol., 415, 2012
1QDD
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BU of 1qdd by Molmil
CRYSTAL STRUCTURE OF HUMAN LITHOSTATHINE TO 1.3 A RESOLUTION
Descriptor: LITHOSTATHINE, beta-D-galactopyranose-(1-3)-[N-acetyl-alpha-neuraminic acid-(2-6)]2-acetamido-2-deoxy-alpha-D-glucopyranose
Authors:Gerbaud, V, Pignol, D, Loret, E, Bertrand, J.A, Berland, Y, Fontecilla-Camps, J.C, Canselier, J.P, Gabas, N, Verdier, J.M.
Deposit date:1999-05-20
Release date:1999-05-28
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Mechanism of calcite crystal growth inhibition by the N-terminal undecapeptide of lithostathine.
J.Biol.Chem., 275, 2000
2WZB
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BU of 2wzb by Molmil
The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP, 3PG and magnesium trifluoride
Descriptor: 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hownslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P.
Deposit date:2009-11-27
Release date:2010-04-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Transition State Analogue Structures of Human Phosphoglycerate Kinase Establish the Importance of Charge Balance in Catalysis.
J.Am.Chem.Soc., 132, 2010
5M49
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BU of 5m49 by Molmil
Alpha-amino epsilon-caprolactam racemase in complex with PLP and D/L alpha amino epsilon-caprolactam (internal aldimine)
Descriptor: (3~{R})-3-azanylazepan-2-one, (3~{S})-3-azanylazepan-2-one, Aminotransferase class-III, ...
Authors:Frese, A, Sutton, P.W, Turkenburg, J.P, Grogan, G.
Deposit date:2016-10-18
Release date:2017-04-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Snapshots of the Catalytic Cycle of the Industrial Enzyme alpha-Amino-epsilon-Caprolactam Racemase (ACLR) Observed Using X-ray Crystallography
Acs Catalysis, 7, 2017
5MBU
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BU of 5mbu by Molmil
CeuE (H227A, Y288F variant) a periplasmic protein from Campylobacter jejuni
Descriptor: Enterochelin uptake periplasmic binding protein
Authors:Wilde, E.J, Blagova, E.V, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S.
Deposit date:2016-11-08
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Sci Rep, 7, 2017
5MBQ
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BU of 5mbq by Molmil
CeuE (H227A variant) a periplasmic protein from Campylobacter jejuni
Descriptor: Enterochelin uptake periplasmic binding protein
Authors:Wilde, E.J, Blagova, E.V, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S.
Deposit date:2016-11-08
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Sci Rep, 7, 2017
5ME0
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BU of 5me0 by Molmil
Structure of the 30S Pre-Initiation Complex 1 (30S IC-1) Stalled by GE81112
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Lopez-Alonso, J.P, Fabbretti, A, Kaminishi, T, Iturrioz, I, Brandi, L, Gil Carton, D, Gualerzi, C, Fucini, P, Connell, S.
Deposit date:2016-11-14
Release date:2017-01-11
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (13.5 Å)
Cite:Structure of a 30S pre-initiation complex stalled by GE81112 reveals structural parallels in bacterial and eukaryotic protein synthesis initiation pathways.
Nucleic Acids Res., 45, 2017
5MY7
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BU of 5my7 by Molmil
Adhesin Complex Protein from Neisseria meningitidis
Descriptor: Adhesin, DI(HYDROXYETHYL)ETHER, SODIUM ION
Authors:Derrick, J.P, Awanye, A.
Deposit date:2017-01-25
Release date:2017-06-21
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of the Neisseria Adhesin Complex Protein (ACP) and its role as a novel lysozyme inhibitor.
PLoS Pathog., 13, 2017
5ME1
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BU of 5me1 by Molmil
Structure of the 30S Pre-Initiation Complex 2 (30S IC-2) Stalled by GE81112
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Lopez-Alonso, J.P, Fabbretti, A, Kaminishi, T, Iturrioz, I, Brandi, L, Gil Carton, D, Gualerzi, C, Fucini, P, Connell, S.
Deposit date:2016-11-14
Release date:2017-01-11
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (13.5 Å)
Cite:Structure of a 30S pre-initiation complex stalled by GE81112 reveals structural parallels in bacterial and eukaryotic protein synthesis initiation pathways.
Nucleic Acids Res., 45, 2017
2KUM
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BU of 2kum by Molmil
Solution structure of the human chemokine CCL27
Descriptor: C-C motif chemokine 27
Authors:Kirkpatrick, J.P, Jansma, A, Hsu, A, Handel, T.M, Nietlispach, D.
Deposit date:2010-02-22
Release date:2010-03-02
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:NMR analysis of the structure, dynamics, and unique oligomerization properties of the chemokine CCL27.
J.Biol.Chem., 285, 2010
2X14
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BU of 2x14 by Molmil
The catalytically active fully closed conformation of human phosphoglycerate kinase K219A mutant in complex with AMP-PCP and 3PG
Descriptor: 3-PHOSPHOGLYCERIC ACID, MAGNESIUM ION, PHOSPHOGLYCERATE KINASE 1, ...
Authors:Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hownslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P.
Deposit date:2009-12-21
Release date:2010-12-29
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Metal fluorides-multi-functional tools for the study of phosphoryl transfer enzymes, a practical guide.
Structure, 2024
5FJI
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BU of 5fji by Molmil
Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ...
Authors:Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S.
Deposit date:2015-10-09
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases
Acta Crystallogr.,Sect.D, 72, 2016
5FNU
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BU of 5fnu by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
Descriptor: (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
Authors:Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
Deposit date:2015-11-16
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
5FT0
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BU of 5ft0 by Molmil
Crystal structure of gp37(Dip) from bacteriophage phiKZ
Descriptor: ARGININE, GP37, POTASSIUM ION
Authors:Van den Bossche, A, Hardwick, S.W, Ceyssens, P.J, Hendrix, H, Voet, M, Dendooven, T, Bandyra, K.J, De Maeyer, M, Aertsen, A, Noben, J.P, Luisi, B.F, Lavigne, R.
Deposit date:2016-01-08
Release date:2016-08-03
Last modified:2017-03-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural elucidation of a novel mechanism for the bacteriophage-based inhibition of the RNA degradosome.
Elife, 5, 2016
5FNR
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BU of 5fnr by Molmil
Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor.
Descriptor: (3S)-3-(4-chlorophenyl)-3-(1-methylbenzotriazol-5-yl)propanoic acid, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
Authors:Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K.
Deposit date:2015-11-16
Release date:2016-04-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery.
J.Med.Chem., 59, 2016
3KBE
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BU of 3kbe by Molmil
Metal-free C. elegans Cu,Zn Superoxide Dismutase
Descriptor: Superoxide dismutase [Cu-Zn]
Authors:Pakhomova, O.N, Taylor, A.B, Schuermann, J.P, Culotta, V.L, Hart, P.J.
Deposit date:2009-10-20
Release date:2010-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:X-ray Crystal Structure of C. elegans Cu,Zn Superoxide Dismutase
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