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6SLV
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BU of 6slv by Molmil
Fragment AZ-013 binding at the p53pT387/14-3-3 sigma interface
Descriptor: 14-3-3 protein sigma, 4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
Authors:Ottmann, C, Wolter, M, Guillory, X, Leysen, S, Genet, S, Somsen, B, Patel, J, Castaldi, P.
Deposit date:2019-08-20
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
5OLP
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BU of 5olp by Molmil
Galacturonidase
Descriptor: CALCIUM ION, Pectate lyase
Authors:Basle, A, Luis, A.S, Gilbert, H.J.
Deposit date:2017-07-28
Release date:2017-11-29
Last modified:2018-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides.
Nat Microbiol, 3, 2018
5OFA
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BU of 5ofa by Molmil
Crystal structure of human MORC2 (residues 1-603) with spinal muscular atrophy mutation T424R
Descriptor: MAGNESIUM ION, MORC family CW-type zinc finger protein 2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Douse, C.H, Liu, Y, Modis, Y.
Deposit date:2017-07-10
Release date:2018-02-14
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Neuropathic MORC2 mutations perturb GHKL ATPase dimerization dynamics and epigenetic silencing by multiple structural mechanisms.
Nat Commun, 9, 2018
6SNK
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BU of 6snk by Molmil
Crystal structure of the Collagen VI alpha3 N2 domain
Descriptor: Collagen alpha-3(VI) chain
Authors:Gebauer, J.M, Degefa, H.S, Paulsson, M, Wagener, R, Baumann, U.
Deposit date:2019-08-26
Release date:2020-07-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a collagen VI alpha 3 chain VWA domain array: adaptability and functional implications of myopathy causing mutations.
J.Biol.Chem., 295, 2020
5OF5
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BU of 5of5 by Molmil
Cu nitrite reductase serial data at varying temperatures
Descriptor: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:2017-07-10
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
6SNP
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BU of 6snp by Molmil
Crystal structures of human PGM1 isoform 2
Descriptor: MAGNESIUM ION, Phosphoglucomutase-1
Authors:Backe, P.H, Laerdahl, J.K, Kittelsen, L.S, Dalhus, B, Morkrid, L, Bjoras, M.
Deposit date:2019-08-27
Release date:2020-04-08
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural basis for substrate and product recognition in human phosphoglucomutase-1 (PGM1) isoform 2, a member of the alpha-D-phosphohexomutase superfamily.
Sci Rep, 10, 2020
6SQG
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BU of 6sqg by Molmil
Crystal structure of viral rhodopsin OLPVRII
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, EICOSANE, RETINAL, ...
Authors:Gushchin, I, Kovalev, K, Bratanov, D, Polovinkin, V, Astashkin, R, Popov, A, Bourenkov, G, Gordeliy, V.
Deposit date:2019-09-03
Release date:2019-11-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Unique structure and function of viral rhodopsins.
Nat Commun, 10, 2019
7C46
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BU of 7c46 by Molmil
Crystal Structure of Rv1045 toxin point variant K189A
Descriptor: Rv1045 toxin, SULFATE ION
Authors:Deep, A, Kaur, J, Thakur, K.G.
Deposit date:2020-05-15
Release date:2021-05-26
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure of Rv1045 toxin point variant K189A
To Be Published
5OFC
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BU of 5ofc by Molmil
Cu nitrite reductase serial data at varying temperatures 190K 21.65MGy
Descriptor: ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ...
Authors:Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A.
Deposit date:2017-07-10
Release date:2018-05-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.
IUCrJ, 5, 2018
6SO1
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BU of 6so1 by Molmil
Fragment N13569a in complex with MAP kinase p38-alpha
Descriptor: 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Nichols, C.E, De Nicola, G.F.
Deposit date:2019-08-28
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
5OGS
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BU of 5ogs by Molmil
Crystal structure of human AND-1 SepB domain
Descriptor: MALONATE ION, WD repeat and HMG-box DNA-binding protein 1
Authors:Pellegrini, L, Simon, A.C.
Deposit date:2017-07-13
Release date:2017-11-29
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:The human CTF4-orthologue AND-1 interacts with DNA polymerase alpha /primase via its unique C-terminal HMG box.
Open Biol, 7, 2017
5OFT
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BU of 5oft by Molmil
Structural basis for OXA-48 dimerization
Descriptor: Beta-lactamase
Authors:Lund, B.A, Nesheim, B.H.B, Leiros, H.K.S.
Deposit date:2017-07-11
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The biological assembly of OXA-48 reveals a dimer interface with high charge complementarity and very high affinity.
FEBS J., 285, 2018
6SR7
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BU of 6sr7 by Molmil
Structure of the U1A variant A1-98 Y31H/Q36R/K98W
Descriptor: SULFATE ION, U1 small nuclear ribonucleoprotein A
Authors:Rosenbach, H, Span, I.
Deposit date:2019-09-05
Release date:2020-05-13
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Expanding crystallization tools for nucleic acid complexes using U1A protein variants.
J.Struct.Biol., 210, 2020
6SOO
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BU of 6soo by Molmil
20 minute Fe2+ soaked structure of SynFtn variant D137A
Descriptor: FE (III) ION, Ferritin
Authors:Hemmings, A.M, Bradley, J.M.
Deposit date:2019-08-29
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Routes of iron entry into, and exit from, the catalytic ferroxidase sites of the prokaryotic ferritin SynFtn.
Dalton Trans, 49, 2020
5OGT
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BU of 5ogt by Molmil
Thermus scotoductus SA-01 Ene-reductase triple mutant TsER_C25D_I67T_A102H
Descriptor: Chromate reductase, FLAVIN MONONUCLEOTIDE
Authors:Opperman, D.J, Hoebenreich, S, Nett, N.
Deposit date:2017-07-13
Release date:2018-08-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Thermus scotoductus SA-01 Ene-reductase triple mutant TsER_C25D_I67T_A102H
To Be Published
5OHM
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BU of 5ohm by Molmil
K33-specific affimer bound to K33 diUb
Descriptor: K33-specific affimer, POLYETHYLENE GLYCOL (N=34), Polyubiquitin-C
Authors:Michel, M.A, Komander, D.
Deposit date:2017-07-17
Release date:2017-10-04
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Ubiquitin Linkage-Specific Affimers Reveal Insights into K6-Linked Ubiquitin Signaling.
Mol. Cell, 68, 2017
6ST1
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BU of 6st1 by Molmil
Taurine ABC transporter substrate binding protein TauA from E. coli in complex with 2-(N-Morpholino)ethanesulfonic acid (MES)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, IODIDE ION, ...
Authors:Beis, K, Qu, F.
Deposit date:2019-09-09
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Desolvation of the substrate-binding protein TauA dictates ligand specificity for the alkanesulfonate ABC importer TauABC.
Biochem.J., 476, 2019
7C8L
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BU of 7c8l by Molmil
Hybrid designing of potent inhibitors of Striga strigolactone receptor ShHTL7
Descriptor: 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX Y}-ETHOXY)-ETHANOL, GLYCEROL, Hyposensitive to light 7, ...
Authors:Shahul Hameed, U.F, Arold, S.T.
Deposit date:2020-06-02
Release date:2021-06-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Rational design of Striga hermonthica-specific seed germination inhibitors.
Plant Physiol., 188, 2022
5OIF
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BU of 5oif by Molmil
InhA (T2A mutant) complexed with 1-benzyl-3-methyl-1H-pyrazol-5-amine
Descriptor: 5-methyl-2-(phenylmethyl)pyrazol-3-amine, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Convery, M.A.
Deposit date:2017-07-18
Release date:2018-02-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
6SUJ
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BU of 6suj by Molmil
Mutations in SsgB correlate to longitudinal cell division during sporulation of Streptomyces coelicolor
Descriptor: PHOSPHATE ION, Sporulation and cell division protein SsgA
Authors:Xiao, X.S, Willemse, J.
Deposit date:2019-09-14
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mutations in SsgB correlate to longitudinal cell division during sporulation of Streptomyces coelicolor
To Be Published
6SVL
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BU of 6svl by Molmil
human Myeloid-derived growth factor (MYDGF) in complex with neutralizing Fab
Descriptor: Fab_heavy_chain, Fab_light_chain, GLYCEROL, ...
Authors:Ebenhoch, R, Nar, H.
Deposit date:2019-09-18
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Crystal structure and receptor-interacting residues of MYDGF - a protein mediating ischemic tissue repair.
Nat Commun, 10, 2019
7C91
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BU of 7c91 by Molmil
Blasnase-T13A with D-asn
Descriptor: D-ASPARAGINE, FORMIC ACID, L-asparaginase, ...
Authors:Lu, F, Ran, T, Jiao, L, Wang, W.
Deposit date:2020-06-04
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structures of l-asparaginase from Bacillus licheniformis Reveal an Essential Residue for its Substrate Stereoselectivity.
J.Agric.Food Chem., 69, 2021
5OJP
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BU of 5ojp by Molmil
YCF48 bound to D1 peptide
Descriptor: Ycf48-like protein
Authors:Michoux, F, Nixon, P.J, Murray, J.W.
Deposit date:2017-07-22
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Ycf48 involved in the biogenesis of the oxygen-evolving photosystem II complex is a seven-bladed beta-propeller protein.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5OKA
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BU of 5oka by Molmil
Non-conservatively refined structure of Gan1D-E170Q, a catalytic mutant of a 6-phospho-beta-galactosidase from Geobacillus stearothermophilus
Descriptor: GLYCEROL, IMIDAZOLE, Putative 6-phospho-beta-galactobiosidase
Authors:Lansky, S, Zehavi, A, Shoham, Y, Shoham, G.
Deposit date:2017-07-25
Release date:2017-10-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
FEBS J., 284, 2017
6TUO
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BU of 6tuo by Molmil
Crystal structure of Archaeoglobus fulgidus Argonaute protein with cognate DNA oligoduplex 5'-pATTGTACGTACAAT
Descriptor: 5'-D(*AP*TP*TP*GP*TP*AP*CP*GP*TP*AP*CP*AP*AP*TP)-3', BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
Authors:Grazulis, S, Zaremba, M.
Deposit date:2020-01-07
Release date:2021-01-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Archaeoglobus fulgidus Argonaute protein with cognate DNA oligoduplex 5'-pATTGTACGTACAAT
To be published

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PDB entries from 2024-08-28

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