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6O6Y
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BU of 6o6y by Molmil
Crystal structure of Csm6 in complex with cyclic-tetraadenylates (cA4) by cocrystallization of Csm6 and cA4
Descriptor: 2',3'- cyclic AMP, 3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine, Csm6
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
5CW4
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BU of 5cw4 by Molmil
Structure of CfBRCC36-CfKIAA0157 complex (Selenium Edge)
Descriptor: BRCA1/BRCA2-containing complex subunit 3, GLYCEROL, Protein FAM175B, ...
Authors:Zeqiraj, E.
Deposit date:2015-07-27
Release date:2015-09-16
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.543 Å)
Cite:Higher-Order Assembly of BRCC36-KIAA0157 Is Required for DUB Activity and Biological Function.
Mol.Cell, 59, 2015
6O8T
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BU of 6o8t by Molmil
Syn-safencin 96
Descriptor: Circular bacteriocin, circularin A/uberolysin family
Authors:Fields, F.R, Lee, S.W.
Deposit date:2019-03-11
Release date:2020-04-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Synthetic Antimicrobial Peptide Tuning Permits Membrane Disruption and Interpeptide Synergy.
Acs Pharmacol Transl Sci, 3, 2020
6O6V
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BU of 6o6v by Molmil
Crystal structure of Csm6 in complex with cA4 by soaking cA4 into Csm6
Descriptor: Csm6, Cyclic RNA cA4
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
8J1G
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BU of 8j1g by Molmil
Structure of amino acid dehydrogenase in complex with NADPH
Descriptor: 1,2-ETHANEDIOL, ARGININE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sakuraba, H, Ohshima, T.
Deposit date:2023-04-12
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:First crystal structure of an NADP + -dependent l-arginine dehydrogenase belonging to the mu-crystallin family.
Int.J.Biol.Macromol., 249, 2023
5D9A
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BU of 5d9a by Molmil
Influenza C Virus RNA-dependent RNA Polymerase - Space group P212121
Descriptor: Polymerase acidic protein, Polymerase basic protein 2, RNA-directed RNA polymerase catalytic subunit
Authors:Hengrung, N, El Omari, K, Serna Martin, I, Vreede, F.T, Cusack, S, Rambo, R.P, Vonrhein, C, Bricogne, G, Stuart, D.I, Grimes, J.M, Fodor, E.
Deposit date:2015-08-18
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Crystal structure of the RNA-dependent RNA polymerase from influenza C virus.
Nature, 527, 2015
5DCS
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BU of 5dcs by Molmil
R2-like ligand-binding oxidase with aerobically reconstituted Mn/Fe cofactor (long soak)
Descriptor: FE (III) ION, MANGANESE (II) ION, MANGANESE (III) ION, ...
Authors:Griese, J.J, Hogbom, M.
Deposit date:2015-08-24
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Structural Basis for Oxygen Activation at a Heterodinuclear Manganese/Iron Cofactor.
J.Biol.Chem., 290, 2015
8JHO
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BU of 8jho by Molmil
Cryo-EM structure of the histone deacetylase complex Rpd3S in complex with di-nucleosome
Descriptor: Chromatin modification-related protein EAF3, Di-nucleosome template foward, Di-nucleosome template reverse, ...
Authors:Wang, H.
Deposit date:2023-05-25
Release date:2023-09-27
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Structure of histone deacetylase complex Rpd3S bound to nucleosome.
Nat.Struct.Mol.Biol., 30, 2023
6O70
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BU of 6o70 by Molmil
Crystal structure of Csm6 H132A mutant in complex with cA4 by cocrystallization of cA4 and Csm6 H132A mutant
Descriptor: 2',3'- cyclic AMP, 3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine, Csm6
Authors:Jia, N, Patel, D.J.
Deposit date:2019-03-07
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity.
Mol.Cell, 75, 2019
5EHM
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BU of 5ehm by Molmil
Crystal structure of the Drosophila CG3822 KaiR1D ligand binding domain complex with NMDA
Descriptor: N-methyl-D-aspartic acid, RE06730p,CG3822
Authors:Dharkar, P, Mayer, M.L.
Deposit date:2015-10-28
Release date:2016-11-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.281 Å)
Cite:Novel Functional Properties of Drosophila CNS Glutamate Receptors.
Neuron, 92, 2016
6O8Q
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BU of 6o8q by Molmil
HUaa 19bp SYM DNA pH 4.5
Descriptor: DNA (57-MER), DNA-binding protein HU-alpha
Authors:Remesh, S.G, Hammel, M.
Deposit date:2019-03-11
Release date:2020-03-18
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.216 Å)
Cite:Nucleoid remodeling during environmental adaptation is regulated by HU-dependent DNA bundling.
Nat Commun, 11, 2020
6OVQ
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BU of 6ovq by Molmil
Crystal structure of mithramycin 3-side chain keto-reductase MtmW
Descriptor: GLYCEROL, Putative Side chain reductase
Authors:Hou, C, Yu, X, Rohr, J, Tsodikov, O.V.
Deposit date:2019-05-08
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a Cryptic Intermediate in Late Steps of Mithramycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 59, 2020
6OAC
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BU of 6oac by Molmil
PQR530 [(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine] bound to the PI3Ka catalytic subunit p110alpha
Descriptor: 4-(difluoromethyl)-5-{4-[(3S)-3-methylmorpholin-4-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}pyridin-2-amine, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Burke, J.E, McPhail, J.A.
Deposit date:2019-03-15
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:(S)-4-(Difluoromethyl)-5-(4-(3-methylmorpholino)-6-morpholino-1,3,5-triazin-2-yl)pyridin-2-amine (PQR530), a Potent, Orally Bioavailable, and Brain-Penetrable Dual Inhibitor of Class I PI3K and mTOR Kinase.
J.Med.Chem., 62, 2019
5EQ4
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BU of 5eq4 by Molmil
Crystal structure of the SrpA adhesin R347E mutant from Streptococcus sanguinis
Descriptor: ACETATE ION, CALCIUM ION, Platelet-binding glycoprotein
Authors:Loukachevitch, L.V, McCulloch, K.M, Vann, K.R, Wawrzak, Z, Anderson, S, Iverson, T.M.
Deposit date:2015-11-12
Release date:2016-01-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Sialoglycan Binding by the Streptococcus sanguinis SrpA Adhesin.
J.Biol.Chem., 291, 2016
5DOQ
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BU of 5doq by Molmil
The structure of bd oxidase from Geobacillus thermodenitrificans
Descriptor: Bd-type quinol oxidase subunit I, Bd-type quinol oxidase subunit II, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, ...
Authors:Safarian, S, Mueller, H, Rajendran, C, Preu, J, Ovchinnikov, S, Kusumoto, T, Hirose, T, Langer, J, Sakamoto, J, Michel, H.
Deposit date:2015-09-11
Release date:2016-05-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structure of a bd oxidase indicates similar mechanisms for membrane-integrated oxygen reductases.
Science, 352, 2016
8P6I
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BU of 8p6i by Molmil
Crystal structure of the 139H2 Fab fragment bound to Muc1 peptide epitope
Descriptor: 139H2 HC, 139H2 LC, Mucin-1
Authors:Beugelink, J.W, Peng, W, Siborova, M, Pronker, M.F, Snijder, J, Janssen, B.J.C.
Deposit date:2023-05-26
Release date:2024-04-03
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reverse-engineering the anti-MUC1 antibody 139H2 by mass spectrometry-based de novo sequencing.
Life Sci Alliance, 7, 2024
5DSX
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BU of 5dsx by Molmil
Crystal structure of Dot1L in complex with inhibitor CPD10 [6'-chloro-1,4-dimethyl-5'-(2-methyl-6-((4-(methylamino)pyrimidin-2-yl)amino)-1H-indol-1-yl)-[3,3'-bipyridin]-2(1H)-one]
Descriptor: 6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1H-indol-1-yl)-3,3'-bipyridin-2(1H)-one, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
Authors:Scheufler, C, Gaul, C, Be, C, Moebitz, H.
Deposit date:2015-09-17
Release date:2016-06-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
Acs Med.Chem.Lett., 7, 2016
5DUU
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BU of 5duu by Molmil
Crystal structure of the human galectin-4 N-terminal carbohydrate recognition domain in complex with glycerol
Descriptor: GLYCEROL, Galectin-4
Authors:Bum-Erdene, K, Blanchard, H.
Deposit date:2015-09-21
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterisation of human galectin-4 N-terminal carbohydrate recognition domain in complex with glycerol, lactose, 3'-sulfo-lactose, and 2'-fucosyllactose.
Sci Rep, 6, 2016
5E8I
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BU of 5e8i by Molmil
Crystal structure of the DNA binding domain of human transcription factor FLI1 in complex with a 10-mer DNA ACCGGAAGTG
Descriptor: CALCIUM ION, DNA (5'-D(*AP*CP*CP*GP*GP*AP*AP*GP*TP*G)-3'), DNA (5'-D(*CP*AP*CP*TP*TP*CP*CP*GP*GP*T)-3'), ...
Authors:Hou, C, Tsodikov, O.V.
Deposit date:2015-10-14
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Structural Basis for Dimerization and DNA Binding of Transcription Factor FLI1.
Biochemistry, 54, 2015
8ON5
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BU of 8on5 by Molmil
Structure of the tail fibre from an extracellular contractile injection system from Photorhabdus bacteria
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, Adenoviral fiber protein, ...
Authors:Godfrey, A.E, Diaz-Saez, L.
Deposit date:2023-03-31
Release date:2024-04-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the tail fibre from an extracellular contractile injection system from Photorhabdus bacteria
To Be Published
8P7G
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BU of 8p7g by Molmil
Structural characterization of PHOX2B and its DNA interactions shed lights into the molecular basis of the + 7Ala variant pathogenicity in CCHS
Descriptor: Paired mesoderm homeobox protein 2B
Authors:Russo, L, Diana, D, Fattorusso, R.
Deposit date:2023-05-30
Release date:2024-05-15
Last modified:2024-06-26
Method:SOLUTION NMR
Cite:Structural characterization of PHOX2B and its DNA interaction shed light on the molecular basis of the +7Ala variant pathogenicity in CCHS.
Chem Sci, 15, 2024
5EI4
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BU of 5ei4 by Molmil
First domain of human bromodomain BRD4 in complex with inhibitor 8-(5-Amino-1H-[1,2,4]triazol-3-ylsulfanylmethyl)-3-(4-chlorobenzyl)-7-ethyl-3,7-dihydropurine-2,6-dione
Descriptor: 1,2-ETHANEDIOL, 8-[(3-azanyl-1~{H}-1,2,4-triazol-5-yl)sulfanylmethyl]-3-[(4-chlorophenyl)methyl]-7-ethyl-purine-2,6-dione, Bromodomain-containing protein 4
Authors:Raux, B, Rebuffet, E, Betzi, S, Morelli, X.
Deposit date:2015-10-29
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Exploring Selective Inhibition of the First Bromodomain of the Human Bromodomain and Extra-terminal Domain (BET) Proteins.
J.Med.Chem., 59, 2016
5EQ2
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BU of 5eq2 by Molmil
Crystal Structure of the SrpA Adhesin from Streptococcus sanguinis
Descriptor: ACETATE ION, CALCIUM ION, Platelet-binding glycoprotein
Authors:Loukachevitch, L.V, McCulloch, K.M, Vann, K.R, Wawrzak, Z, Anderson, S, Iverson, T.M.
Deposit date:2015-11-12
Release date:2016-01-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Sialoglycan Binding by the Streptococcus sanguinis SrpA Adhesin.
J.Biol.Chem., 291, 2016
8J3N
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BU of 8j3n by Molmil
Solution NMR structure of purS subunit of phosphoribosylformylglycinamidine synthase enzyme from Staphylococcus aureus
Descriptor: Phosphoribosylformylglycinamidine synthase subunit PurS
Authors:Wahab, A, Ashraf, F, Choudhary, M.I.
Deposit date:2023-04-17
Release date:2023-05-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of purS subunit of phosphoribosylformylglycinamidine synthase enzyme from Staphylococcus aureus
To Be Published
8P67
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BU of 8p67 by Molmil
Crystal structure of Thermothelomyces thermophila (double mutant EE) in complex with aldotetrauronic acid
Descriptor: 1,2-ETHANEDIOL, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, GH30 family xylanase, ...
Authors:Dimarogona, M, Pentari, C, Kosinas, C, Topakas, E.
Deposit date:2023-05-25
Release date:2024-05-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structural and molecular insights into a bifunctional glycoside hydrolase 30 xylanase specific to glucuronoxylan.
Biotechnol.Bioeng., 121, 2024

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PDB entries from 2024-08-28

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