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6SOM
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BU of 6som by Molmil
Metal free structure of SynFtn variant D137A
Descriptor: CHLORIDE 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 (2.15 Å)
Cite:Routes of iron entry into, and exit from, the catalytic ferroxidase sites of the prokaryotic ferritin SynFtn.
Dalton Trans, 49, 2020
6ZRP
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BU of 6zrp by Molmil
Crystal structure of class D Beta-lactamase OXA-48 in complex with meropenem
Descriptor: (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase, ...
Authors:Tassone, G, De Luca, F, Pozzi, C, Di Pisa, F, Benvenuti, M, Mangani, S, Doquier, J.D.
Deposit date:2020-07-14
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
6SOQ
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BU of 6soq by Molmil
2 minute Fe2+ soaked structure of SynFtn variant E62A
Descriptor: CHLORIDE ION, 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 (1.67 Å)
Cite:Routes of iron entry into, and exit from, the catalytic ferroxidase sites of the prokaryotic ferritin SynFtn.
Dalton Trans, 49, 2020
5LDK
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BU of 5ldk by Molmil
Crystal structure of E.coli LigT complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, RNA 2',3'-cyclic phosphodiesterase
Authors:Myllykoski, M, Kursula, P.
Deposit date:2016-06-27
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural aspects of nucleotide ligand binding by a bacterial 2H phosphoesterase.
PLoS ONE, 12, 2017
6ZRH
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BU of 6zrh by Molmil
Crystal structure of OXA-10loop24 in complex with ertapenem
Descriptor: (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase
Authors:Tassone, G, Di Pisa, F, Benvenuti, M, De Luca, F, Pozzi, C, Mangani, S, Docquier, J.D.
Deposit date:2020-07-13
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Mechanistic insights into carbapenem hydrolysis by OXA-48 and the OXA10-derived hybrids OXA-10 loop24 and loop48
To Be Published
6SIY
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BU of 6siy by Molmil
PaaK family AMP-ligase with AMP and substrate
Descriptor: 1,2-ETHANEDIOL, 3-HYDROXYANTHRANILIC ACID, ADENOSINE MONOPHOSPHATE, ...
Authors:Naismith, J.H, Song, H.
Deposit date:2019-08-12
Release date:2020-01-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
5LDP
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BU of 5ldp by Molmil
Crystal structure of E.coli LigT complexed with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Myllykoski, M, Kursula, P.
Deposit date:2016-06-27
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural aspects of nucleotide ligand binding by a bacterial 2H phosphoesterase.
PLoS ONE, 12, 2017
5LDZ
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BU of 5ldz by Molmil
Quadruple space group ambiguity due to rotational and translational non-crystallographic symmetry in human liver fructose-1,6-bisphosphatase
Descriptor: CHLORIDE ION, Fructose-1,6-bisphosphatase 1, SULFATE ION, ...
Authors:Ruf, A, Tetaz, T, Schott, B, Joseph, C, Rudolph, M.G.
Deposit date:2016-06-29
Release date:2016-10-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Quadruple space-group ambiguity owing to rotational and translational noncrystallographic symmetry in human liver fructose-1,6-bisphosphatase.
Acta Crystallogr D Struct Biol, 72, 2016
6ZSX
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BU of 6zsx by Molmil
M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II - 4 conjugate
Descriptor: Cellular retinoic acid-binding protein 2, methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2020-07-16
Release date:2021-07-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Xanthopsin-Like Systems via Site-Specific Click-Functionalization of a Retinoic Acid Binding Protein.
Chembiochem, 23, 2022
6ZS7
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BU of 6zs7 by Molmil
Crystal structure of delta466-491 cystathionine beta-synthase from Toxoplasma gondii with L-cysteine
Descriptor: 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, Cystathionine beta-synthase
Authors:Fernandez-Rodriguez, C, Oyenarte, I, Conter, C, Gonzalez-Recio, I, Quintana, I, Martinez-Chantar, M, Astegno, A, Martinez-Cruz, L.A.
Deposit date:2020-07-15
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural insight into the unique conformation of cystathionine beta-synthase from Toxoplasma gondii .
Comput Struct Biotechnol J, 19, 2021
5LYU
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BU of 5lyu by Molmil
The native crystal structure of 7SK 5'-hairpin
Descriptor: 7SK RNA, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Martinez-Zapien, D, Legrand, P, McEwen, A.C, Pasquali, S, Dock-Bregeon, A.-C.
Deposit date:2016-09-28
Release date:2017-01-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of the 5 functional domain of the transcription riboregulator 7SK.
Nucleic Acids Res., 45, 2017
6SR3
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BU of 6sr3 by Molmil
X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 62 fs time delay
Descriptor: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
Authors:Kloos, M, Gorel, A, Nass, K.
Deposit date:2019-09-04
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
6ZTC
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BU of 6ztc by Molmil
CRYSTAL STRUCTURE OF PROSTAGLANDIN D2 SYNTHASE IN COMPLEX WITH FRAGMENT 1A AT 1.84A RESOLUTION.
Descriptor: 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one, GLUTATHIONE, GLYCEROL, ...
Authors:Somers, D.O.
Deposit date:2020-07-17
Release date:2021-07-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors.
Bioorg.Med.Chem.Lett., 47, 2021
6ZU0
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BU of 6zu0 by Molmil
Crystal structure of citrate synthase (GltA) from Pseudomonas aeruginosa
Descriptor: Citrate synthase
Authors:Wijaya, A.J, Brear, P, Dolan, S.K, Welch, M.
Deposit date:2020-07-21
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.397 Å)
Cite:Crystal structure of citrate synthase (GltA) from Pseudomonas aeruginosa
To Be Published
6SRA
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BU of 6sra by Molmil
Crystal structure of glutathione transferase Omega 2C from Trametes versicolor in complex with naringenin
Descriptor: GLUTATHIONE, R-naringenin, glutathione transferase
Authors:Schwartz, M, Favier, F, Didierjean, C.
Deposit date:2019-09-05
Release date:2020-09-30
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Diversity of Omega Glutathione Transferases in mushroom-forming fungi revealed by phylogenetic, transcriptomic, biochemical and structural approaches.
Fungal Genet Biol., 148, 2021
6SRN
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BU of 6srn by Molmil
Structural basis for control of antibiotic production by bacterial hormones
Descriptor: 4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid, GLYCEROL, TetR family transcriptional regulator
Authors:Fulop, V.
Deposit date:2019-09-05
Release date:2020-09-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis for control of antibiotic production by a bacterial hormone.
Nature, 590, 2021
5LEZ
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BU of 5lez by Molmil
Human 20S proteasome complex with Oprozomib in Mg-Acetate at 2.2 Angstrom
Descriptor: ACETATE ION, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
Authors:Schrader, J, Henneberg, F, Mata, R, Tittmann, K, Schneider, T.R, Stark, H, Bourenkov, G, Chari, A.
Deposit date:2016-06-30
Release date:2016-08-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
Science, 353, 2016
6SMR
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BU of 6smr by Molmil
A. thaliana serine hydroxymethyltransferase isoform 4 (AtSHMT4) in complex with methotrexate
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, METHOTREXATE, ...
Authors:Ruszkowski, M, Sekula, B, Dauter, Z.
Deposit date:2019-08-22
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis of methotrexate and pemetrexed action on serine hydroxymethyltransferases revealed using plant models.
Sci Rep, 9, 2019
6ZUE
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BU of 6zue by Molmil
Crystal structure of human DDB1 bound to human DCAF1 (amino acid residues 1046-1396)
Descriptor: DDB1- and CUL4-associated factor 1, DNA damage-binding protein 1
Authors:Schwefel, D, Taylor, I.A.
Deposit date:2020-07-22
Release date:2021-07-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.094 Å)
Cite:Structural insights into Cullin4-RING ubiquitin ligase remodelling by Vpr from simian immunodeficiency viruses.
Plos Pathog., 17, 2021
6ST4
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BU of 6st4 by Molmil
Crystal structure of the tick chemokine-binding protein Evasin-4 (SG 1)
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Evasin-4
Authors:Ramirez-Escudero, M, Janssen, B.J.C.
Deposit date:2019-09-10
Release date:2020-09-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Structural characterization of anti-CCL5 activity of the tick salivary protein evasin-4.
J.Biol.Chem., 295, 2020
5LSO
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BU of 5lso by Molmil
Crystal structure of SPF45 UHM domain with cyclic peptide inhibitor
Descriptor: LYS-SER-ARG-TRP-ASP-GLU, Splicing factor 45
Authors:Jagtap, P.K.A, Garg, D, Sattler, M.
Deposit date:2016-09-05
Release date:2016-10-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Rational Design of Cyclic Peptide Inhibitors of U2AF Homology Motif (UHM) Domains To Modulate Pre-mRNA Splicing.
J. Med. Chem., 59, 2016
6ZSK
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BU of 6zsk by Molmil
Cytochrome c prime beta from Methylococcus capsulatus (Bath): CO complex
Descriptor: CARBON MONOXIDE, Cytochrome c, GLYCEROL, ...
Authors:Adams, H.R, Hough, M.A.
Deposit date:2020-07-15
Release date:2021-07-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:to be published
To Be Published
6STC
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BU of 6stc by Molmil
Crystal structure of the tick chemokine-binding protein Evasin-4 (SG 2)
Descriptor: ACETATE ION, DI(HYDROXYETHYL)ETHER, Evasin-4
Authors:Ramirez-Escudero, M, Janssen, B.J.C.
Deposit date:2019-09-10
Release date:2020-09-02
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structural characterization of anti-CCL5 activity of the tick salivary protein evasin-4.
J.Biol.Chem., 295, 2020
6ZSW
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BU of 6zsw by Molmil
M2 mutant (R111K:Y134F:T54V:R132Q:P39Y:R59Y) of human cellular retinoic acid binding protein II - 6 conjugate
Descriptor: ACETATE ION, Cellular retinoic acid-binding protein 2, methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate
Authors:Tassone, G, Pozzi, C, Mangani, S.
Deposit date:2020-07-16
Release date:2021-07-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Xanthopsin-Like Systems via Site-Specific Click-Functionalization of a Retinoic Acid Binding Protein.
Chembiochem, 23, 2022
1MC9
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BU of 1mc9 by Molmil
STREPROMYCES LIVIDANS XYLAN BINDING DOMAIN CBM13 IN COMPLEX WITH XYLOPENTAOSE
Descriptor: ENDO-1,4-BETA-XYLANASE A, GLYCEROL, SULFATE ION, ...
Authors:Notenboom, V, Boraston, A.B, Williams, S.J, Kilburn, D.G, Rose, D.R.
Deposit date:2002-08-06
Release date:2002-09-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-resolution crystal structures of the lectin-like xylan binding domain from Streptomyces lividans xylanase 10A with bound substrates reveal a novel mode of xylan binding.
Biochemistry, 41, 2002

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數據於2025-10-29公開中

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