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6GD5
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BU of 6gd5 by Molmil
The solution structure of the LptA-Thanatin complex
Descriptor: Lipopolysaccharide export system protein LptA, Thanatin
Authors:Moehle, K, Zerbe, O.
Deposit date:2018-04-22
Release date:2018-11-28
Last modified:2019-05-08
Method:SOLUTION NMR
Cite:Thanatin targets the intermembrane protein complex required for lipopolysaccharide transport inEscherichia coli.
Sci Adv, 4, 2018
3N8D
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BU of 3n8d by Molmil
Crystal structure of Staphylococcus aureus VRSA-9 D-Ala:D-Ala ligase
Descriptor: CHLORIDE ION, D-alanine--D-alanine ligase, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Saul, F.A, Haouz, A, Meziane-Cherif, D.
Deposit date:2010-05-28
Release date:2010-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular basis of vancomycin dependence in VanA-type Staphylococcus aureus VRSA-9.
J.Bacteriol., 192, 2010
6G19
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BU of 6g19 by Molmil
CryoEM structure of the MDA5-dsRNA filament with 74-degree helical twist
Descriptor: Interferon-induced helicase C domain-containing protein 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, RNA (5'-R(P*CP*AP*AP*GP*CP*CP*GP*AP*GP*GP*AP*GP*AP*G)-3'), ...
Authors:Yu, Q, Qu, K, Modis, Y.
Deposit date:2018-03-20
Release date:2018-11-21
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Cryo-EM Structures of MDA5-dsRNA Filaments at Different Stages of ATP Hydrolysis.
Mol. Cell, 72, 2018
3NKX
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BU of 3nkx by Molmil
Impaired binding of 14-3-3 to Raf1 is linked to Noonan and LEOPARD syndrome
Descriptor: 14-3-3 protein zeta/delta, PROPANOIC ACID, Peptide of RAF proto-oncogene serine/threonine-protein kinase
Authors:Schumacher, B, Weyand, M, Ottmann, C.
Deposit date:2010-06-21
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Impaired binding of 14-3-3 to C-RAF in Noonan syndrome suggests new approaches in diseases with increased Ras signaling
Mol.Cell.Biol., 30, 2010
5VA1
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BU of 5va1 by Molmil
Cryo-EM structure of the human ether-a-go-go related K+ channel
Descriptor: Potassium voltage-gated channel subfamily H member 2
Authors:Wang, W.W, MacKinnon, R.
Deposit date:2017-03-24
Release date:2017-05-03
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM Structure of the Open Human Ether-a-go-go-Related K(+) Channel hERG.
Cell, 169, 2017
5UTI
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BU of 5uti by Molmil
Crystal Structure of TGT in complex with fragment in preQ1 pocket
Descriptor: DIMETHYL SULFOXIDE, L-CANAVANINE, Queuine tRNA-ribosyltransferase, ...
Authors:Hassaan, E, Heine, A, Klebe, G.
Deposit date:2017-02-15
Release date:2018-03-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
3NKC
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BU of 3nkc by Molmil
Crystal structure of AqpZ F43W,H174G,T183F
Descriptor: Aquaporin Z, octyl beta-D-glucopyranoside
Authors:Savage, D.F, O'Connell III, J.D, Finer-Moore, J, Stroud, R.M.
Deposit date:2010-06-18
Release date:2010-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural context shapes the aquaporin selectivity filter.
Proc.Natl.Acad.Sci.USA, 107, 2010
5SYI
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BU of 5syi by Molmil
Structure of D141A variant of B. pseudomallei KatG complexed with INH
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-11
Release date:2016-09-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation.
J Phys Chem B, 118, 2014
3NK5
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BU of 3nk5 by Molmil
Crystal structure of AqpZ mutant F43W
Descriptor: Aquaporin Z, octyl beta-D-glucopyranoside
Authors:Savage, D.F, O'Connell, J.D, Stroud, R.M, Finer-Moore, J.S.
Deposit date:2010-06-18
Release date:2010-08-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural context shapes the aquaporin selectivity filter.
Proc.Natl.Acad.Sci.USA, 107, 2010
6HCB
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BU of 6hcb by Molmil
STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM01 AT 1.9 A RESOLUTION.
Descriptor: 6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide), CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Laulumaa, S, Masternak, M, Frydenvang, K, Kastrup, J.S.
Deposit date:2018-08-14
Release date:2019-04-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor.
Acs Med.Chem.Lett., 10, 2019
3NMS
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BU of 3nms by Molmil
Staphylococcal Complement Inhibitor (SCIN) in complex with Human Complement C3c
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, Staphylococcal complement inhibitor
Authors:Geisbrecht, B.V, Garcia, B.L.
Deposit date:2010-06-22
Release date:2010-08-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Molecular Basis for Complement Recognition and Inhibition Determined by Crystallographic Studies of the Staphylococcal Complement Inhibitor (SCIN) Bound to C3c and C3b.
J.Mol.Biol., 402, 2010
6FSO
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BU of 6fso by Molmil
Crystal Structure of TGT in complex with methyl({[5-(pyridin-3-yloxy)furan-2-yl]methyl})amine
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Hassaan, E, Heine, A, Klebe, G.
Deposit date:2018-02-20
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.449 Å)
Cite:Fragments as Novel Starting Points for tRNA-Guanine Transglycosylase Inhibitors Found by Alternative Screening Strategies.
Chemmedchem, 15, 2020
3JSG
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BU of 3jsg by Molmil
Crystal structure of macrophage migration inhibitory factor (mif) with hydroxyquinoline inhibitor 707 at 1.58a resolution
Descriptor: 7-(pyridin-3-ylmethyl)quinolin-8-ol, Macrophage migration inhibitory factor, SULFATE ION
Authors:Mclean, L, Zhang, Y.
Deposit date:2009-09-10
Release date:2009-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening.
Bioorg.Med.Chem.Lett., 19, 2009
1S3L
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BU of 1s3l by Molmil
Structural and Functional Characterization of a Novel Archaeal Phosphodiesterase
Descriptor: Hypothetical protein MJ0936, PHOSPHATE ION, UNKNOWN ATOM OR ION
Authors:Chen, S, Busso, D, Yakunin, A.F, Kuznetsova, E, Proudfoot, M, Jancrick, J, Kim, R, Kim, S.-H, Berkeley Structural Genomics Center (BSGC)
Deposit date:2004-01-13
Release date:2004-08-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional characterization of a novel phosphodiesterase from Methanococcus jannaschii
J.Biol.Chem., 279, 2004
3HOF
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BU of 3hof by Molmil
Structure of macrophage migration inhibitory factor (MIF) with caffeic acid at 1.9A resolution
Descriptor: CAFFEIC ACID, Macrophage migration inhibitory factor
Authors:Crawley, L, Barker, J, Cheng, R.K.Y, Wood, M, Felicetti, B.
Deposit date:2009-06-02
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of macrophage migration inhibitory factor (MIF) with caffeic acid at 1.9A resolution
To be Published
3NZQ
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BU of 3nzq by Molmil
Crystal Structure of Biosynthetic arginine decarboxylase ADC (SpeA) from Escherichia coli, Northeast Structural Genomics Consortium Target ER600
Descriptor: Biosynthetic arginine decarboxylase, SULFATE ION
Authors:Forouhar, F, Lew, S, Seetharaman, J, Sahdev, S, Xiao, R, Ciccosanti, C, Belote, R.L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-07-16
Release date:2010-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of bacterial biosynthetic arginine decarboxylases.
Acta Crystallogr.,Sect.F, 66, 2010
3NRM
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BU of 3nrm by Molmil
Imidazo[1,2-a]pyrazine-based Aurora Kinase Inhibitors
Descriptor: N-(3-methylisothiazol-5-yl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine, Serine/threonine-protein kinase 6
Authors:Hruza, A.
Deposit date:2010-06-30
Release date:2010-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Discovery of imidazo[1,2-a]pyrazine-based Aurora kinase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3M11
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BU of 3m11 by Molmil
Crystal Structure of Aurora A Kinase complexed with inhibitor
Descriptor: 1-(4-{2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea, Serine/threonine-protein kinase 6
Authors:Wu, J.S, Leou, J.S, Coumar, M.S, Hsieh, H.P, Wu, S.Y.
Deposit date:2010-03-03
Release date:2011-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Fast-forwarding hit to lead: aurora and epidermal growth factor receptor kinase inhibitor lead identification
J.Med.Chem., 53, 2010
3M9S
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BU of 3m9s by Molmil
Crystal structure of respiratory complex I from Thermus thermophilus
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Efremov, R.G, Baradaran, R, Sazanov, L.A.
Deposit date:2010-03-22
Release date:2010-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:The architecture of respiratory complex I
Nature, 465, 2010
5SYJ
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BU of 5syj by Molmil
Crystal structure of the D141A variant of B. pseudomallei KatGin complex with isoniazid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ...
Authors:Loewen, P.C.
Deposit date:2016-08-11
Release date:2016-09-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation.
J Phys Chem B, 118, 2014
3MIA
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BU of 3mia by Molmil
Crystal structure of HIV-1 Tat complexed with ATP-bound human P-TEFb
Descriptor: Cell division protein kinase 9, Cyclin-T1, MAGNESIUM ION, ...
Authors:Tahirov, T.H, Babayeva, N.D, Varzavand, K, Cooper, J.J, Sedore, S.C, Price, D.H.
Deposit date:2010-04-09
Release date:2010-06-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of HIV-1 Tat complexed with human P-TEFb.
Nature, 465, 2010
3MRS
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BU of 3mrs by Molmil
Crystal structure of shikimate kinase mutant (R57A) from Helicobacter pylori
Descriptor: Shikimate kinase
Authors:Cheng, W.C, Chen, T.J, Lin, S.C, Wang, W.C.
Deposit date:2010-04-29
Release date:2011-05-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Helicobacter pylori shikimate kinase reveal a selective inhibitor-induced-fit mechanism
Plos One, 7, 2012
8I0U
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BU of 8i0u by Molmil
The cryo-EM structure of human Bact-IV complex
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, Cell division cycle 5-like protein, Crooked neck-like protein 1, ...
Authors:Zhan, X, Lu, Y, Shi, Y.
Deposit date:2023-01-11
Release date:2024-07-31
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular basis for the activation of human spliceosome.
Nat Commun, 15, 2024
8I0T
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BU of 8i0t by Molmil
The cryo-EM structure of human Bact-III complex
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, Cell division cycle 5-like protein, Crooked neck-like protein 1, ...
Authors:Zhan, X, Lu, Y, Shi, Y.
Deposit date:2023-01-11
Release date:2024-07-31
Last modified:2024-08-07
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular basis for the activation of human spliceosome.
Nat Commun, 15, 2024
3MLG
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BU of 3mlg by Molmil
2ouf-2x, a designed knotted protein
Descriptor: 2X chimera of Helicobacter pylori protein HP0242
Authors:King, N.P, Sawaya, M.R, Jacobitz, A.W, Yeates, T.O.
Deposit date:2010-04-16
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structure and folding of a designed knotted protein.
Proc.Natl.Acad.Sci.USA, 107, 2010

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