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PDB: 2866 results

5IVY
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Linked KDM5A Jmj Domain Bound to the Inhibitor N16 [3-(2-(4-chlorophenyl)acetamido)isonicotinic acid]
Descriptor: 3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid, Lysine-specific demethylase 5A, MANGANESE (II) ION
Authors:Horton, J.R, Cheng, X.
Deposit date:2016-03-21
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural Basis for KDM5A Histone Lysine Demethylase Inhibition by Diverse Compounds.
Cell Chem Biol, 23, 2016
4UW8
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BU of 4uw8 by Molmil
Structure of the carboxy-terminal domain of the bacteriophage T5 L- shaped tail fiber with its intra-molecular chaperone domain
Descriptor: CITRATE ANION, L-SHAPED TAIL FIBER PROTEIN
Authors:Garcia-Doval, C, Luque, D, Caston, J.R, Otero, J.M, Llamas-Saiz, A.L, Boulanger, P, van Raaij, M.J.
Deposit date:2014-08-08
Release date:2015-08-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Structure of the Receptor-Binding Carboxy-Terminal Domain of the Bacteriophage T5 L-Shaped Tail Fibre with and without Its Intra-Molecular Chaperone.
Viruses, 7, 2015
6HN7
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Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
Descriptor: Redirecting phage packaging protein C (RppC), Terminase small subunit
Authors:Penades, J.R, Bacarizo, J, Marina, A, Alqasmi, M, Fillol-Salom, A, Roszak, A.W, Ciges-Tomas, J.R.
Deposit date:2018-09-14
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
Mol.Cell, 75, 2019
5MK6
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BU of 5mk6 by Molmil
Crystal structure of the receptor-binding domain of botulinum neurotoxin A1 (crystal form 1)
Descriptor: Botulinum neurotoxin type A, SODIUM ION
Authors:Davies, J.R, Acharya, K.R.
Deposit date:2016-12-02
Release date:2018-03-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:High resolution crystal structures of the receptor-binding domain ofClostridium botulinumneurotoxin serotypes A and FA.
PeerJ, 6, 2018
5MIK
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BU of 5mik by Molmil
X-ray structure of carboplatin-encapsulated horse spleen apoferritin (rotating anode data)
Descriptor: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
Authors:Pontillo, N, Ferraro, G, Helliwell, J.R, Merlino, A.
Deposit date:2016-11-28
Release date:2017-03-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:X-ray Structure of the Carboplatin-Loaded Apo-Ferritin Nanocage.
ACS Med Chem Lett, 8, 2017
6PET
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BU of 6pet by Molmil
Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha
Descriptor: (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, CHLORIDE ION, ...
Authors:Kiefer, J.R, Vinogradova, M, Liang, J, Wang, X, Zbieg, J, Labadie, S.S, Zhang, B, Li, J, Liang, W.
Deposit date:2019-06-20
Release date:2019-07-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.203 Å)
Cite:Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927.
Bioorg.Med.Chem.Lett., 29, 2019
5MK8
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Crystal structure of the receptor-binding domain of the FA hybrid Clostridium botulinum neurotoxin
Descriptor: Botulinum neurotoxin FA binding domain, CHLORIDE ION, FORMIC ACID
Authors:Davies, J.R, Acharya, K.R.
Deposit date:2016-12-02
Release date:2018-03-28
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:High resolution crystal structures of the receptor-binding domain ofClostridium botulinumneurotoxin serotypes A and FA.
PeerJ, 6, 2018
5MK7
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BU of 5mk7 by Molmil
Crystal structure of the receptor-binding domain of botulinum neurotoxin A1 (crystal form 2)
Descriptor: Botulinum neurotoxin type A
Authors:Davies, J.R, Acharya, K.R.
Deposit date:2016-12-02
Release date:2018-03-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High resolution crystal structures of the receptor-binding domain ofClostridium botulinumneurotoxin serotypes A and FA.
PeerJ, 6, 2018
5MTI
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BU of 5mti by Molmil
Bamb_5917 Acyl-Carrier Protein
Descriptor: Phosphopantetheine-binding protein
Authors:Gallo, A, Kosol, S, Griffiths, D, Masschelein, J, Alkhalaf, L, Smith, H, Valentic, T, Tsai, S, Challis, G, Lewandowski, J.R.
Deposit date:2017-01-09
Release date:2018-08-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis for chain release from the enacyloxin polyketide synthase
Nat.Chem., 2019
5ND1
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BU of 5nd1 by Molmil
Viral evolution results in multiple, surface-allocated enzymatic activities in a fungal double-stranded RNA virus
Descriptor: Capsid protein
Authors:Mata, C.P, Luque, D, Gomez Blanco, J, Rodriguez, J.M, Suzuki, N, Ghabrial, S.A, Carrascosa, J.L, Trus, B.L, Caston, J.R.
Deposit date:2017-03-07
Release date:2017-11-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Acquisition of functions on the outer capsid surface during evolution of double-stranded RNA fungal viruses.
PLoS Pathog., 13, 2017
6HLK
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BU of 6hlk by Molmil
Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
Descriptor: Redirecting phage packaging protein C (RppC)
Authors:Penades, J.R, Bacarizo, J, Marina, A, Alqasmi, M, Fillol-Salom, A, Roszak, A.W, Ciges-Tomas, J.R.
Deposit date:2018-09-11
Release date:2019-07-31
Last modified:2019-09-18
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit.
Mol.Cell, 75, 2019
3ME6
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BU of 3me6 by Molmil
Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug clopidogrel
Descriptor: Clopidogrel, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gay, S.C, Roberts, A.G, Maekawa, K, Talakad, J.C, Hong, W.X, Zhang, Q, Stout, C.D, Halpert, J.R.
Deposit date:2010-03-31
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel.
Biochemistry, 49, 2010
5O97
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BU of 5o97 by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106
Descriptor: (5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Zhu, J, Marchand, J.R, Caflisch, A.
Deposit date:2017-06-15
Release date:2018-06-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106
To Be Published
5NBJ
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BU of 5nbj by Molmil
DLS Tetragonal - ReHEWL
Descriptor: CHLORIDE ION, Lysozyme C, RHENIUM, ...
Authors:Brink, A, Helliwell, J.R.
Deposit date:2017-03-02
Release date:2017-05-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.266 Å)
Cite:New leads for fragment-based design of rhenium/technetium radiopharmaceutical agents.
IUCrJ, 4, 2017
3MVR
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BU of 3mvr by Molmil
Crystal Structure of cytochrome P450 2B4-H226Y in a closed conformation
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shah, M.B, Stout, C.D, Halpert, J.R.
Deposit date:2010-05-04
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Plasticity of Cytochrome P450 2B4 as Investigated by Hydrogen-Deuterium Exchange Mass Spectrometry and X-ray Crystallography.
J.Biol.Chem., 285, 2010
5MIJ
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BU of 5mij by Molmil
X-ray structure of carboplatin-encapsulated horse spleen apoferritin
Descriptor: CADMIUM ION, CHLORIDE ION, Ferritin light chain, ...
Authors:Pontillo, N, Ferraro, G, Helliwell, J.R, Merlino, A.
Deposit date:2016-11-28
Release date:2017-03-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:X-ray Structure of the Carboplatin-Loaded Apo-Ferritin Nanocage.
ACS Med Chem Lett, 8, 2017
7EW6
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BU of 7ew6 by Molmil
Barley photosystem I-LHCI-Lhca5 supercomplex
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Wang, W.D, Shen, L, Tang, K, Han, G.Y, Zhang, X, Shen, J.R.
Deposit date:2021-05-24
Release date:2021-12-22
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
7F9O
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BU of 7f9o by Molmil
PSI-NDH supercomplex of Barley
Descriptor: (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ...
Authors:Wang, W.D, Shen, L, Tang, K, Han, G.Y, Shen, J.R, Zhang, X.
Deposit date:2021-07-04
Release date:2021-12-22
Last modified:2022-02-09
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Architecture of the chloroplast PSI-NDH supercomplex in Hordeum vulgare.
Nature, 601, 2022
6GWK
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BU of 6gwk by Molmil
The crystal structure of Hfq from Caulobacter crescentus
Descriptor: RNA-binding protein Hfq
Authors:Santiago-Frangos, A, Frohlich, K.S, Jeliazkov, J.R, Gray, J.R, Luisi, B.F, Woodson, S.A, Hardwick, S.W.
Deposit date:2018-06-25
Release date:2019-05-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Caulobacter crescentusHfq structure reveals a conserved mechanism of RNA annealing regulation.
Proc.Natl.Acad.Sci.USA, 116, 2019
7SFD
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BU of 7sfd by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3543105A
Descriptor: (2S)-2-({3,5-dicyano-4-ethyl-6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridin-2-yl}sulfanyl)-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (12-MER), ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
7SFF
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BU of 7sff by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3852279B
Descriptor: (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-[4-(trifluoromethyl)phenyl]acetamide, 1,2-ETHANEDIOL, DNA (12-MER), ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
7SFC
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BU of 7sfc by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3735967A
Descriptor: 1,2-ETHANEDIOL, DNA (12-MER), DNA (cytosine-5)-methyltransferase 1, ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
7SFG
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BU of 7sfg by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Cofactor SAM
Descriptor: 1,2-ETHANEDIOL, DNA (cytosine-5)-methyltransferase 1, DNA Strand 1, ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
7SFE
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BU of 7sfe by Molmil
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3830334A
Descriptor: (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide, 1,2-ETHANEDIOL, DNA (12-MER), ...
Authors:Horton, J.R, Pathuri, S, Cheng, X.
Deposit date:2021-10-03
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors.
Structure, 30, 2022
7SIE
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BU of 7sie by Molmil
Structure of AAP A-domain (residues 351-605) from Staphylococcus epidermidis
Descriptor: Accumulation associated protein, CALCIUM ION, CHLORIDE ION
Authors:Atkin, K.E, Brentnall, A.S, Dodson, E.J, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R.
Deposit date:2021-10-13
Release date:2022-10-19
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023

221051

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