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6N3J
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BU of 6n3j by Molmil
MicroED Structure of the CTD-SP1 fragment of HIV-1 Gag
Descriptor: CTD-SP1 fragment of HIV-1 Gag
Authors:Purdy, M.D, Shi, D, Hattne, J, Chrustowicz, J.
Deposit date:2018-11-15
Release date:2018-12-12
Last modified:2023-10-11
Method:ELECTRON CRYSTALLOGRAPHY (3 Å)
Cite:MicroED structures of HIV-1 Gag CTD-SP1 reveal binding interactions with the maturation inhibitor bevirimat.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
2BAW
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BU of 2baw by Molmil
Human Nuclear Receptor-Ligand Complex 1
Descriptor: Peroxisome proliferator activated receptor delta, VACCENIC ACID, heptyl beta-D-glucopyranoside
Authors:Fyffe, S.A, Alphey, M.S, Buetow, L, Smith, T.K, Ferguson, M.A.J, Sorensen, M.D, Bjorkling, F, Hunter, W.N.
Deposit date:2005-10-15
Release date:2006-01-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Reevaluation of the PPAR-beta/delta Ligand Binding Domain Model Reveals Why It Exhibits the Activated Form
Mol.Cell, 21, 2006
6O21
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BU of 6o21 by Molmil
Crystal Structure of Human KLK4 in Complex With Cleaved SFTI-FCQR(Asn14)[1,14] Inhibitor
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Kallikrein 4 (Prostase, enamel matrix, ...
Authors:Ilyichova, O.V, Buckle, A.M.
Deposit date:2019-02-22
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors.
Biochemistry, 58, 2019
2FPZ
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BU of 2fpz by Molmil
Human tryptase with 2-amino benzimidazole
Descriptor: 2H-BENZOIMIDAZOL-2-YLAMINE, Tryptase beta-2
Authors:Somoza, J.R.
Deposit date:2006-01-17
Release date:2006-03-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided design of Peptide-based tryptase inhibitors.
Biochemistry, 45, 2006
6NLK
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BU of 6nlk by Molmil
1.85 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 13)
Descriptor: 4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ...
Authors:Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M.
Deposit date:2019-01-08
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
2FSZ
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BU of 2fsz by Molmil
A second binding site for hydroxytamoxifen within the coactivator-binding groove of estrogen receptor beta
Descriptor: 4-HYDROXYTAMOXIFEN, Estrogen receptor beta
Authors:Wang, Y.
Deposit date:2006-01-23
Release date:2006-07-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A second binding site for hydroxytamoxifen within the coactivator-binding groove of estrogen receptor beta
Proc.Natl.Acad.Sci.Usa, 103, 2006
6NOO
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BU of 6noo by Molmil
Structure of Cyanothece McdA-AMPPNP complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Maintenance of carboxysome positioning A protein, ...
Authors:Schumacher, M.A.
Deposit date:2019-01-16
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures of maintenance of carboxysome distribution Walker-box McdA and McdB adaptor homologs.
Nucleic Acids Res., 47, 2019
6NT0
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BU of 6nt0 by Molmil
Catalase 3 from N.Crassa in ferrous state, X-ray reduced (1.315 MGy)
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ...
Authors:Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V.
Deposit date:2019-01-27
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state.
Arch.Biochem.Biophys., 666, 2019
2B4G
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BU of 2b4g by Molmil
dihydroorotate dehydrogenase
Descriptor: BROMIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
Authors:Arakaki, T.L, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2005-09-23
Release date:2005-10-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Characterization of Trypanosoma brucei dihydroorotate dehydrogenase as a possible drug target; structural, kinetic and RNAi studies
Mol.Microbiol., 68, 2008
2B5E
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BU of 2b5e by Molmil
Crystal Structure of Yeast Protein Disulfide Isomerase
Descriptor: BARIUM ION, GLYCEROL, Protein disulfide-isomerase
Authors:Schindelin, H, Tian, G.
Deposit date:2005-09-28
Release date:2006-01-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of yeast protein disulfide isomerase suggests cooperativity between its active sites.
Cell(Cambridge,Mass.), 124, 2006
2B61
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BU of 2b61 by Molmil
Crystal Structure of Homoserine Transacetylase
Descriptor: Homoserine O-acetyltransferase
Authors:Mirza, I.A, Nazi, I, Korczynska, M, Wright, G.D, Berghuis, A.M.
Deposit date:2005-09-29
Release date:2005-11-15
Last modified:2018-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Homoserine Transacetylase from Haemophilus influenzae Reveals a New Family of alpha/beta-Hydrolases
Biochemistry, 44, 2005
2B78
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BU of 2b78 by Molmil
A putative sam-dependent methyltransferase from Streptococcus mutans
Descriptor: hypothetical protein SMU.776
Authors:Nan, J, Wang, K.T, Su, X.D.
Deposit date:2005-10-03
Release date:2006-10-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A putative sam-dependent methyltransferase from Streptococcus mutans
To be Published
6TUC
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BU of 6tuc by Molmil
Human Aldose Reductase in complex with ALR25
Descriptor: 2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sandner, A, Heine, A, Klebe, G.
Deposit date:2020-01-06
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Human Aldose Reductase in complex with SAR25
To Be Published
6TUF
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BU of 6tuf by Molmil
Human Aldose Reductase in complex with ALR43
Descriptor: 2-[5-fluoranyl-2-[[3-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]methylcarbamoyl]phenoxy]ethanoic acid, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sandner, A, Heine, A, Klebe, G.
Deposit date:2020-01-07
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Human Aldose Reductase in complex with SAR25
To Be Published
6N3D
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BU of 6n3d by Molmil
Structure of HIV Tat-specific factor 1 U2AF Homology Motif (APO-State)
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Loerch, S, Jenkins, J.L, Kielkopf, C.L.
Deposit date:2018-11-15
Release date:2019-01-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface.
J. Biol. Chem., 294, 2019
6TGC
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BU of 6tgc by Molmil
CryoEM structure of the ternary DOCK2-ELMO1-RAC1 complex.
Descriptor: Dedicator of cytokinesis protein 2, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1
Authors:Chang, L, Yang, J, Chang, J.H, Zhang, Z, Boland, A, McLaughlin, S.H, Abu-Thuraia, A, Killoran, R.C, Smith, M.J, Cote, J.F, Barford, D.
Deposit date:2019-11-15
Release date:2020-07-29
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.
Nat Commun, 11, 2020
6MPR
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BU of 6mpr by Molmil
Crystal structure of a malonate decarboxylase, alpha subunit from Acinetobacter baumannii
Descriptor: Malonate decarboxylase subunit alpha
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-10-08
Release date:2018-10-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of a malonate decarboxylase, alpha subunit from Acinetobacter baumannii
To be Published
6MR9
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BU of 6mr9 by Molmil
E. coli DHFR complex with a reaction intermediate
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, CHLORIDE ION, Dihydrofolate reductase, ...
Authors:Cao, H, Rodrigues, J, Benach, J, Frommelt, A, Morisco, L, Koss, J, Shakhnovich, E, Skolnick, J.
Deposit date:2018-10-12
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Time-resolved x-ray crystallography capture of a slow reaction tetrahydrofolate intermediate.
Struct Dyn., 6, 2019
2EIE
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BU of 2eie by Molmil
Crystal Structure of Galactose Oxidase complexed with Azide
Descriptor: AZIDE ION, COPPER (II) ION, Galactose oxidase
Authors:Phillips, S.E, McPherson, M.J, Knowles, P.F, Akyumani, N, Firbank, S.J, Tamber, S.
Deposit date:2007-03-12
Release date:2007-04-24
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Stacking Tryptophan of Galactose Oxidase: A Second-Coordination Sphere Residue that Has Profound Effects on Tyrosyl Radical Behavior and Enzyme Catalysis
Biochemistry, 46, 2007
6O0A
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BU of 6o0a by Molmil
Crystal structure of flavohemoglobin from Malassezia yamatoensis with bound FAD and heme determined by iron SAD phasing
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, Flavohemoglobin, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2019-02-15
Release date:2019-03-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:HGT in the human and skin commensal Malassezia : A bacterially derived flavohemoglobin is required for NO resistance and host interaction.
Proc.Natl.Acad.Sci.USA, 117, 2020
6NVY
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BU of 6nvy by Molmil
Crystal structure of penicillin G acylase from Bacillus thermotolerans
Descriptor: CALCIUM ION, GLYCEROL, Penicillin G acylase
Authors:Blankenfeldt, W.
Deposit date:2019-02-05
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structures and protein engineering of three different penicillin G acylases from Gram-positive bacteria with different thermostability.
Appl.Microbiol.Biotechnol., 103, 2019
6O1I
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BU of 6o1i by Molmil
Alpha-L-fucosidase AlfC fucosyltransferase mutant E274A
Descriptor: AlfC
Authors:Klontz, E.H, Sundberg, E.J.
Deposit date:2019-02-20
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.55 Å)
Cite:Structure and dynamics of an alpha-fucosidase reveal a mechanism for highly efficient IgG transfucosylation.
Nat Commun, 11, 2020
2GR8
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BU of 2gr8 by Molmil
Hia 1022-1098
Descriptor: Adhesin
Authors:Meng, G, Waksman, G.
Deposit date:2006-04-23
Release date:2006-05-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the outer membrane translocator domain of the Haemophilus influenzae Hia trimeric autotransporter.
Embo J., 25, 2006
2GS7
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BU of 2gs7 by Molmil
Crystal Structure of the inactive EGFR kinase domain in complex with AMP-PNP
Descriptor: Epidermal growth factor receptor, IODIDE ION, MAGNESIUM ION, ...
Authors:Zhang, X, Gureasko, J, Shen, K, Cole, P.A, Kuriyan, J.
Deposit date:2006-04-25
Release date:2006-06-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An allosteric mechanism for activation of the kinase domain of epidermal growth factor receptor
Cell(Cambridge,Mass.), 125, 2006
2GT1
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BU of 2gt1 by Molmil
E. coli heptosyltransferase WaaC.
Descriptor: Lipopolysaccharide heptosyltransferase-1
Authors:Grizot, S, Salem, M, Vongsouthi, V, Durand, L, Moreau, F, Dohi, H, Vincent, S, Escaich, S, Ducruix, A.
Deposit date:2006-04-27
Release date:2007-05-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of the Escherichia coli Heptosyltransferase WaaC: Binary Complexes with ADP AND ADP-2-deoxy-2-fluoro Heptose.
J.Mol.Biol., 363, 2006

224004

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