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4R74
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BU of 4r74 by Molmil
Structure of the periplasmic binding protein AfuA from Actinobacillus pleuropneumoniae (exogenous fructose-6-phosphate bound)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-O-phosphono-beta-D-fructofuranose, ABC-type Fe3+ transport system, ...
Authors:Sit, B, Calmettes, C, Moraes, T.F.
Deposit date:2014-08-26
Release date:2015-08-12
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Active Transport of Phosphorylated Carbohydrates Promotes Intestinal Colonization and Transmission of a Bacterial Pathogen.
Plos Pathog., 11, 2015
6F6F
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BU of 6f6f by Molmil
R2-like ligand-binding oxidase V72I mutant with aerobically reconstituted Mn/Fe cofactor
Descriptor: FE (III) ION, MANGANESE (II) ION, MANGANESE (III) ION, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-07-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.788 Å)
Cite:Ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 23, 2018
6F5X
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BU of 6f5x by Molmil
Crystal structure of the SYCP1 N-terminal head-to-head assembly in closed conformation
Descriptor: IODIDE ION, Synaptonemal complex protein 1, TRIETHYLENE GLYCOL
Authors:Ratcliff, M, Dunce, J.M, Davies, O.R.
Deposit date:2017-12-04
Release date:2018-06-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural basis of meiotic chromosome synapsis through SYCP1 self-assembly.
Nat. Struct. Mol. Biol., 25, 2018
4QVH
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BU of 4qvh by Molmil
Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein
Descriptor: CITRATE ANION, COENZYME A, GLYCEROL, ...
Authors:Jung, J, Bashiri, G, Johnston, J.M, Baker, E.N.
Deposit date:2014-07-15
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of the essential Mycobacterium tuberculosis phosphopantetheinyl transferase PptT, solved as a fusion protein with maltose binding protein.
J.Struct.Biol., 188, 2014
6F65
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BU of 6f65 by Molmil
R2-like ligand-binding oxidase A171F mutant with aerobically reconstituted Mn/Fe cofactor
Descriptor: FE (III) ION, MANGANESE (II) ION, MANGANESE (III) ION, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-12-05
Release date:2018-12-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.948 Å)
Cite:Assembly of a heterodinuclear Mn/Fe cofactor is coupled to tyrosine-valine ether cross-link formation in the R2-like ligand-binding oxidase.
J. Biol. Inorg. Chem., 24, 2019
8W68
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BU of 8w68 by Molmil
Crystal structure of Q9PR55 at pH 6.0 (use NMR model)
Descriptor: Uncharacterized protein UU089.1
Authors:Hsu, M.F, Ko, T.P, Huang, K.F, Chen, Y.R, Huang, J.S, Hsu, S.T.D.
Deposit date:2023-08-28
Release date:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure, dynamics, and stability of the smallest and most complex 7 1 protein knot.
J.Biol.Chem., 300, 2023
6F7A
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BU of 6f7a by Molmil
Gloeobacter Ligand-gated Ion Channel (GLIC) closed state crystallized in an ultra-swollen lipidic mesophase
Descriptor: Proton-gated ion channel
Authors:Martiel, I, Zabara, A, Chong, J.Y.T, Stark, L, Cromer, B, Dummond, C.J, Mezzenga, R.
Deposit date:2017-12-07
Release date:2018-02-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (6 Å)
Cite:Design of ultra-swollen lipidic mesophases for the crystallization of membrane proteins with large extracellular domains.
Nat Commun, 9, 2018
6PG1
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BU of 6pg1 by Molmil
Crystal Structure of EcDsbA in a complex with unpurified reaction product F1 (methylpiperazinone 6)
Descriptor: 1,2-ETHANEDIOL, 2-methyl-4-{4-[2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]phenoxy}benzonitrile, COPPER (II) ION, ...
Authors:Ilyichova, O.V, Bentley, M, Doak, B, Scanlon, M.J.
Deposit date:2019-06-23
Release date:2020-07-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiL X ).
J.Med.Chem., 63, 2020
5DRN
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BU of 5drn by Molmil
Context-independent anti-hypusine antibody FabHpu24 in complex with hypusine
Descriptor: Fab Hpu24 Heavy chain, Fab Hpu24 Light chain, GLYCEROL, ...
Authors:Zhai, Q, Carter, P.J.
Deposit date:2015-09-16
Release date:2016-01-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.994 Å)
Cite:Structural Analysis and Optimization of Context-Independent Anti-Hypusine Antibodies.
J.Mol.Biol., 428, 2016
6PBM
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BU of 6pbm by Molmil
Pseudopaline Dehydrogenase with NADP+ bound
Descriptor: 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Pseudopaline Dehydrogenase
Authors:McFarlane, J.S, Lamb, A.L.
Deposit date:2019-06-14
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Staphylopine and pseudopaline dehydrogenase from bacterial pathogens catalyze reversible reactions and produce stereospecific metallophores.
J.Biol.Chem., 294, 2019
6FAX
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BU of 6fax by Molmil
Complex of Human CD40 Ectodomain with Lob 7.4 Fab
Descriptor: Lob 7.4 heavy chain, Lob 7.4 light chain, Tumor necrosis factor receptor superfamily member 5
Authors:Orr, C.M, Tews, I, Pearson, A.R.
Deposit date:2017-12-18
Release date:2018-02-07
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Complex Interplay between Epitope Specificity and Isotype Dictates the Biological Activity of Anti-human CD40 Antibodies.
Cancer Cell, 33, 2018
5DTQ
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BU of 5dtq by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD3 [(2,6-dichlorophenyl)(quinolin-6-yl)methanone]
Descriptor: (2,6-dichlorophenyl)(quinolin-6-yl)methanone, Histone-lysine N-methyltransferase, H3 lysine-79 specific
Authors:Scheufler, C, Be, C, Moebitz, H, Stauffer, F.
Deposit date:2015-09-18
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Optimization of a Fragment-Based Screening Hit toward Potent DOT1L Inhibitors Interacting in an Induced Binding Pocket.
Acs Med.Chem.Lett., 7, 2016
6F2L
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BU of 6f2l by Molmil
Crystal structure of the complex between PPARgamma LBD and the ligand LJ570: structure obtained from crystals of the apo-form soaked for 15 days.
Descriptor: (2S)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, M.
Deposit date:2017-11-24
Release date:2018-01-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification of the First PPAR alpha / gamma Dual Agonist Able To Bind to Canonical and Alternative Sites of PPAR gamma and To Inhibit Its Cdk5-Mediated Phosphorylation.
J.Med.Chem., 61, 2018
8TFN
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BU of 8tfn by Molmil
Structure of anti-TCRvbeta6-5 antibody in complex with the cognate TCR
Descriptor: Anti-TCRVb6-5 Fab heavy chain, Anti-TCRVb6-5 Fab light chain, TRAV12-3, ...
Authors:Katragadda, M, Servatalab, R, Wirth, J.
Deposit date:2023-07-11
Release date:2023-11-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Innate TCR beta-chain engagement drives human T cells toward distinct memory-like effector phenotypes with immunotherapeutic potentials.
Sci Adv, 9, 2023
6LVT
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BU of 6lvt by Molmil
Solution structure of holo acyl carrier protein from Thermotoga maritima
Descriptor: Acyl carrier protein
Authors:Lee, Y, Kim, Y.
Deposit date:2020-02-05
Release date:2020-12-09
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural Characterization of an ACP from Thermotoga maritima : Insights into Hyperthermal Adaptation.
Int J Mol Sci, 21, 2020
6F3M
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BU of 6f3m by Molmil
Crystal structure of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa complexed with adenosine, K+ and Zn2+ cations
Descriptor: ADENOSINE, Adenosylhomocysteinase, GLYCEROL, ...
Authors:Czyrko, J, Brzezinski, K.
Deposit date:2017-11-28
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Metal-cation regulation of enzyme dynamics is a key factor influencing the activity of S-adenosyl-L-homocysteine hydrolase from Pseudomonas aeruginosa.
Sci Rep, 8, 2018
6PIS
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BU of 6pis by Molmil
Mouse two pore domain K+ channel TRAAK (K2P4.1) - Fab complex structure
Descriptor: ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, POTASSIUM ION, ...
Authors:Brohawn, S.G.
Deposit date:2019-06-27
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:The mechanosensitive ion channel TRAAK is localized to the mammalian node of Ranvier.
Elife, 8, 2019
6PJ7
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BU of 6pj7 by Molmil
Time-resolved structural snapshot of proteolysis by GlpG inside the membrane
Descriptor: Peptide aldehyde inhibitor, Rhomboid protease GlpG
Authors:Urban, S, Cho, S.
Deposit date:2019-06-28
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ten catalytic snapshots of rhomboid intramembrane proteolysis from gate opening to peptide release.
Nat.Struct.Mol.Biol., 26, 2019
8TG6
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BU of 8tg6 by Molmil
tRNA 2'-phosphotransferase (Tpt1) from Aeropyrum pernix in complex with sulfate anions
Descriptor: CHLORIDE ION, Probable RNA 2'-phosphotransferase, SULFATE ION
Authors:Jacewicz, A, Dantuluri, S, Shuman, S.
Deposit date:2023-07-12
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for Tpt1-catalyzed 2'-PO 4 transfer from RNA and NADP(H) to NAD.
Proc.Natl.Acad.Sci.USA, 120, 2023
6OYT
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BU of 6oyt by Molmil
ASK1 kinase domain in complex with GS-4997
Descriptor: 5-(4-cyclopropyl-1H-imidazol-1-yl)-2-fluoro-4-methyl-N-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzamide, ACETATE ION, Mitogen-activated protein kinase kinase kinase 5
Authors:Marcotte, D.J.
Deposit date:2019-05-15
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.824 Å)
Cite:Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors.
J.Med.Chem., 62, 2019
6PM9
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BU of 6pm9 by Molmil
Crystal structure of the core catalytic domain of human O-GlcNAcase bound to MK-8719
Descriptor: (3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain
Authors:Klein, D.J, Selnick, H.G, Duffy, J.L, McEachern, E.J.
Deposit date:2019-07-01
Release date:2019-09-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies.
J.Med.Chem., 62, 2019
7YZ9
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BU of 7yz9 by Molmil
Structure of catalytic domain of Rv1625c bound to nanobody NB4
Descriptor: 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, Adenylate cyclase, GLYCEROL, ...
Authors:Khanppnavar, B, Mehta, V.J, Iype, T, Korkhov, V.M.
Deposit date:2022-02-19
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structure of Mycobacterium tuberculosis Cya, an evolutionary ancestor of the mammalian membrane adenylyl cyclases.
Elife, 11, 2022
5E4O
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BU of 5e4o by Molmil
Human transthyretin (TTR) complexed with (Z)-((3,4-Dichloro-phenyl)-methyleneaminooxy)-acetic acid
Descriptor: ({(Z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid, Transthyretin
Authors:Ciccone, L, Savko, M, Nencetti, S, Rossello, A, Orlandini, E, Stura, E.A.
Deposit date:2015-10-06
Release date:2016-03-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Synthesis and structural analysis of halogen substituted fibril formation inhibitors of Human Transthyretin (TTR).
J Enzyme Inhib Med Chem, 31, 2016
6FA5
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BU of 6fa5 by Molmil
CRYSTAL STRUCTURE OF THE DEAH-BOX HELICASE PRP2 IN COMPLEX WITH ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Hamann, F, Schmitt, A, Neumann, P, Ficner, R.
Deposit date:2017-12-15
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Crystal structure of the spliceosomal DEAH-box ATPase Prp2.
Acta Crystallogr D Struct Biol, 74, 2018
6P65
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BU of 6p65 by Molmil
HIV Env 16055 NFL TD 2CC+ in complex with antibody 1C2 fragment antigen binding
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Ozorowski, G, Torres, J.L, Ward, A.B.
Deposit date:2019-05-31
Release date:2019-11-20
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Vaccination with Glycan-Modified HIV NFL Envelope Trimer-Liposomes Elicits Broadly Neutralizing Antibodies to Multiple Sites of Vulnerability.
Immunity, 51, 2019

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