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8D8M
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BU of 8d8m by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence grown in a calcium chloride crystallization solution.
Descriptor: CALCIUM ION, DNA (5'-D(CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*GP*A)-3'), DNA (5'-D(GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*GP*GP*A)-3'), ...
Authors:Orun, A.R, Snow, C.D.
Deposit date:2022-06-08
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Designed crystalline assemblies of protein and DNA enable site-specific installation of a guest protein, DNA, and small molecule.
To Be Published
8D86
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BU of 8d86 by Molmil
Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional G-C rich sequence co-crystallized with a guest small molecule, netropsin.
Descriptor: DNA (5'-D(A*CP*CP*CP*GP*GP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*GP*GP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*CP*CP*G)-3'), MAGNESIUM ION, ...
Authors:Orun, A.R, Snow, C.D.
Deposit date:2022-06-07
Release date:2023-06-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds.
Acs Nano, 17, 2023
6XTV
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BU of 6xtv by Molmil
FULL-LENGTH LTTR LYSG FROM CORYNEBACTERIUM GLUTAMICUM WITH BOUND EFFECTOR ARG
Descriptor: ARGININE, Lysine export transcriptional regulatory protein LysG
Authors:Hofmann, E, Syberg, F, Schlicker, C, Eggeling, L, Schendzielorz, G.
Deposit date:2020-01-16
Release date:2020-10-07
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Engineering and application of a biosensor with focused ligand specificity.
Nat Commun, 11, 2020
6YLV
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BU of 6ylv by Molmil
Translation initiation factor 4E in complex with 4-Cl-Bn7GpppG mRNA 5' cap analog
Descriptor: 4-Cl-Bn7GpppG mRNA 5' cap analog, Eukaryotic translation initiation factor 4E, GLYCEROL
Authors:Kubacka, D, Wojcik, R, Baranowski, M.R, Kowalska, J, Jemielity, J.
Deposit date:2020-04-07
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.66005659 Å)
Cite:Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation.
Pharmaceutics, 13, 2021
8C3O
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BU of 8c3o by Molmil
Crystal structure of autotaxin gamma and compound MEY-003
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ...
Authors:Eymery, M.C, McCarthy, A.A.
Deposit date:2022-12-27
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
8C4W
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BU of 8c4w by Molmil
Crystal structure of rat autotaxin and compound MEY-002
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one, 7alpha-hydroxycholesterol, ...
Authors:Eymery, M.C, McCarthy, A.A.
Deposit date:2023-01-05
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
8C3P
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BU of 8c3p by Molmil
Crystal structure of autotaxin gamma in complex with LPA 18:1
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 7alpha-hydroxycholesterol, CALCIUM ION, ...
Authors:Eymery, M.C, McCarthy, A.A.
Deposit date:2022-12-28
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
8C7R
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BU of 8c7r by Molmil
Crystal structure of rat autotaxin and compound MEY-003
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5,7-bis(oxidanyl)-2-(1-pentylindol-3-yl)chromen-4-one, 7alpha-hydroxycholesterol, ...
Authors:Eymery, M.C, McCarthy, A.A.
Deposit date:2023-01-17
Release date:2023-11-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Discovery of potent chromone-based autotaxin inhibitors inspired by cannabinoids.
Eur.J.Med.Chem., 263, 2023
8C3T
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BU of 8c3t by Molmil
Structure of the GIsul2 transposon excisionase
Descriptor: AlpA family phage regulatory protein
Authors:Smyshlyaev, G, Arinkin, V, Barabas, O.
Deposit date:2022-12-28
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Cryo-EM structures of transposon end complexes explain antibiotic resistance transfer across diverse bacteria
To Be Published
7SUT
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BU of 7sut by Molmil
Light harvesting phycobiliprotein HaPE645 from the cryptophyte Hemiselmis andersenii CCMP644
Descriptor: (15,16)-DIHYDROBILIVERDIN (SINGLY LINKED), 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G.
Deposit date:2021-11-18
Release date:2023-10-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii.
Commun Biol, 6, 2023
7T89
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BU of 7t89 by Molmil
Light harvesting complex Phycocyanin PC577 from the cryptophyte Hemiselmis pacifica CCMP 706
Descriptor: DiCys-(15,16)-Dihydrobiliverdin, PHYCOCYANOBILIN, Phycoerythrin alpha subunit 1, ...
Authors:Michie, K.A, Curmi, P.C, Harrop, S, Rathbone, H.W.
Deposit date:2021-12-16
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1 Å)
Cite:Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
6E5G
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BU of 6e5g by Molmil
Crystal structure of human TEAD2-Yap binding domain covalently bound to an allosteric regulator
Descriptor: 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one, Transcriptional enhancer factor TEF-4
Authors:Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S.O.
Deposit date:2018-07-20
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Small-Molecule Covalent Modification of Conserved Cysteine Leads to Allosteric Inhibition of the TEAD⋅Yap Protein-Protein Interaction.
Cell Chem Biol, 26, 2019
7T7U
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BU of 7t7u by Molmil
Light Harvesting complex phycocyanin PC 630, from the cryptophyte Chroomonas sp. M1627
Descriptor: DiCys-(15,16)-Dihydrobiliverdin, GLYCEROL, PHYCOCYANOBILIN, ...
Authors:Michie, K.A, Harrop, S.J, Rathbone, H.W, Wilk, K.E, Curmi, P.M.G.
Deposit date:2021-12-15
Release date:2023-02-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins.
Protein Sci., 32, 2023
9F3X
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BU of 9f3x by Molmil
CutC choline lyase in complex with cyclopropylcholine
Descriptor: Choline trimethylamine-lyase, cyclopropylcholine
Authors:Kalnins, G.
Deposit date:2024-04-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:CutC choline lyase in complex with fluoromethylcholine
To Be Published
9F3Y
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BU of 9f3y by Molmil
CutC choline lyase in complex with difluorocholine
Descriptor: Choline trimethylamine-lyase, difluorocholine
Authors:Kalnins, G.
Deposit date:2024-04-26
Release date:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:CutC choline lyase in complex with difluorocholine
To Be Published
7T6A
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BU of 7t6a by Molmil
Crystal structure of Avr1 (SIX4) from Fusarium oxysporum f. sp. lycopersici
Descriptor: Avr1 (FolSIX4), Avirulence protein 1, Avr1 (SIX4), ...
Authors:Yu, D.S, Outram, M.A, Ericsson, D.J, Jones, D.A, Williams, S.J.
Deposit date:2021-12-13
Release date:2023-01-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies
Elife, 2023
7T69
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BU of 7t69 by Molmil
Crystal structure of Avr3 (SIX1) from Fusarium oxysporum f. sp. lycopersici
Descriptor: Avr3 (SIX1), Secreted in xylem 1, SULFATE ION
Authors:Yu, D.S, Outram, M.A, Ericsson, D.J, Jones, D.A, Williams, S.J.
Deposit date:2021-12-13
Release date:2023-01-11
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies
Elife, 2023
7SSF
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BU of 7ssf by Molmil
Light harvesting phycobiliprotein HaPE560 from the cryptophyte Hemiselmis andersenii CCMP644
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DiCys-(15,16)-Dihydrobiliverdin, ...
Authors:Rathbone, H.W, Michie, K.A, Laos, A.L, Curmi, P.M.G.
Deposit date:2021-11-10
Release date:2023-10-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Molecular dissection of the soluble photosynthetic antenna from the cryptophyte alga Hemiselmis andersenii
Commun Biol, 2023
6MRV
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BU of 6mrv by Molmil
Sialidase26 co-crystallized with DANA
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Sialidase26
Authors:Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Chang, G, Varki, A, Zengler, K.
Deposit date:2018-10-15
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
6MYV
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BU of 6myv by Molmil
Sialidase26 co-crystallized with DANA-Gc
Descriptor: 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid, Sialidase26
Authors:Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Huang, J, Siegel, D, Chang, G, Varki, A, Zengler, K.
Deposit date:2018-11-02
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
7UK2
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BU of 7uk2 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 complexed with NN-390
Descriptor: Hdac6 protein, N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide, POTASSIUM ION, ...
Authors:Erdogan, F, Seo, H.-S, Dhe-Paganon, S.
Deposit date:2022-03-31
Release date:2022-11-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High Efficacy and Drug Synergy of HDAC6-Selective Inhibitor NN-429 in Natural Killer (NK)/T-Cell Lymphoma.
Pharmaceuticals, 15, 2022
6MRX
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BU of 6mrx by Molmil
Sialidase26 apo
Descriptor: Sialidase26
Authors:Zaramela, L.S, Martino, C, Alisson-Silva, F, Rees, S.D, Diaz, S.L, Chuzel, L, Ganatra, M.B, Taron, C.H, Zuniga, C, Chang, G, Varki, A, Zengler, K.
Deposit date:2018-10-15
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Gut bacteria responding to dietary change encode sialidases that exhibit preference for red meat-associated carbohydrates.
Nat Microbiol, 4, 2019
6UTN
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BU of 6utn by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
Descriptor: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, PHOSPHATE ION, ...
Authors:Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
Deposit date:2019-10-29
Release date:2019-12-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
6UTM
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BU of 6utm by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
Descriptor: GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, SN-GLYCEROL-3-PHOSPHATE, ...
Authors:Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
Deposit date:2019-10-29
Release date:2019-12-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019
6UTO
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BU of 6uto by Molmil
Native E. coli Glyceraldehyde 3-phosphate dehydrogenase
Descriptor: ACETATE ION, Glyceraldehyde-3-phosphate dehydrogenase, SN-GLYCEROL-3-PHOSPHATE, ...
Authors:Rodriguez-Hernandez, A, Romo-Arevalo, E, Rodriguez-Romero, A.
Deposit date:2019-10-29
Release date:2019-12-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A Novel Substrate-Binding Site in the X-Ray Structure of an Oxidized E. coli Glyceraldehyde 3-Phosphate Dehydrogenase Elucidated by Single-Wavelength Anomalous Dispersion
Crystals, 9, 2019

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