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7AMD
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BU of 7amd by Molmil
In situ assembly of choline acetyltransferase ligands by a hydrothiolation reaction reveals key determinants for inhibitor design
Descriptor: Choline O-acetyltransferase, SODIUM ION, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-4-[[3-[2-[(1~{R})-2-(1-methylpyridin-4-yl)-1-naphthalen-1-yl-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
Authors:Allgardsson, A, Ekstrom, F.J, Wiktelius, D, Bergstrom, T, Hoster, N, Akfur, C, Forsgren, N, Lejon, C, Hedenstrom, M, Linusson, A.
Deposit date:2020-10-08
Release date:2020-10-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:In Situ Assembly of Choline Acetyltransferase Ligands by a Hydrothiolation Reaction Reveals Key Determinants for Inhibitor Design.
Angew.Chem.Int.Ed.Engl., 60, 2021
1XG3
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BU of 1xg3 by Molmil
Crystal structure of the C123S 2-methylisocitrate lyase mutant from Escherichia coli in complex with the reaction product, Mg(II)-pyruvate and succinate
Descriptor: MAGNESIUM ION, PYRUVIC ACID, Probable methylisocitrate lyase, ...
Authors:Liu, S, Lu, Z, Han, Y, Melamud, E, Dunaway-Mariano, D, Herzberg, O.
Deposit date:2004-09-16
Release date:2005-03-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of 2-Methylisocitrate Lyase in Complex with Product and with Isocitrate Inhibitor Provide Insight into Lyase Substrate Specificity, Catalysis and Evolution
Biochemistry, 44, 2005
1XG4
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BU of 1xg4 by Molmil
Crystal Structure of the C123S 2-Methylisocitrate Lyase Mutant from Escherichia coli in complex with the inhibitor isocitrate
Descriptor: ISOCITRIC ACID, MAGNESIUM ION, Probable methylisocitrate lyase
Authors:Liu, S, Lu, Z, Han, Y, Melamud, E, Dunaway-Mariano, D, Herzberg, O.
Deposit date:2004-09-16
Release date:2005-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structures of 2-Methylisocitrate Lyase in Complex with Product and with Isocitrate Inhibitor Provide Insight into Lyase Substrate Specificity, Catalysis and Evolution
Biochemistry, 44, 2005
6JCS
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BU of 6jcs by Molmil
AAV5 in complex with AAVR
Descriptor: Capsid protein, Dyslexia-associated protein KIAA0319-like protein
Authors:Lou, Z, Zhang, R.
Deposit date:2019-01-30
Release date:2019-08-14
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
1W4Y
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BU of 1w4y by Molmil
Ferrous horseradish peroxidase C1A in complex with carbon monoxide
Descriptor: CALCIUM ION, CARBON MONOXIDE, HORSERADISH PEROXIDASE C1A, ...
Authors:Carlsson, G.H, Nicholls, P, Svistunenko, D, Berglund, G.I, Hajdu, J.
Deposit date:2004-08-03
Release date:2005-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Complexes of Horseradish Peroxidase with Formate, Acetate, and Carbon Monoxide
Biochemistry, 44, 2005
6BAU
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BU of 6bau by Molmil
Crystal Structure of GltPh R397C in complex with L-Cysteine
Descriptor: CYSTEINE, Glutamate transporter homolog, SODIUM ION
Authors:Font, J, Scopelliti, A.J, Vandenberg, R.J, Boudker, O, Ryan, R.M.
Deposit date:2017-10-15
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural characterisation reveals insights into substrate recognition by the glutamine transporter ASCT2/SLC1A5.
Nat Commun, 9, 2018
6JCR
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BU of 6jcr by Molmil
AAV1 in neutral condition at 3.07 Ang
Descriptor: Capsid protein
Authors:Lou, Z, Zhang, R.
Deposit date:2019-01-30
Release date:2019-10-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
6VEN
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BU of 6ven by Molmil
Yeast COMPASS in complex with a ubiquitinated nucleosome
Descriptor: 601 DNA (146-MER), COMPASS component BRE2, COMPASS component SDC1, ...
Authors:Worden, E.J, Wolberger, C.
Deposit date:2020-01-02
Release date:2020-01-15
Last modified:2020-01-22
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Structural basis for COMPASS recognition of an H2B-ubiquitinated nucleosome.
Elife, 9, 2020
6BAT
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BU of 6bat by Molmil
Crystal Structure of Wild-Type GltPh in complex with L-aspartate
Descriptor: ASPARTIC ACID, Glutamate transporter homolog, SODIUM ION
Authors:Font, J, Scopelliti, A.J, Vandenberg, R.J, Boudker, O, Ryan, R.M.
Deposit date:2017-10-15
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structural characterisation reveals insights into substrate recognition by the glutamine transporter ASCT2/SLC1A5.
Nat Commun, 9, 2018
1W4W
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BU of 1w4w by Molmil
Ferric horseradish peroxidase C1A in complex with formate
Descriptor: CALCIUM ION, FORMIC ACID, HORSERADISH PEROXIDASE C1A, ...
Authors:Carlsson, G.H, Nicholls, P, Svistunenko, D, Berglund, G.I, Hajdu, J.
Deposit date:2004-08-03
Release date:2005-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Complexes of Horseradish Peroxidase with Formate, Acetate, and Carbon Monoxide
Biochemistry, 44, 2005
6BAV
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BU of 6bav by Molmil
Crystal Structure of GltPh R397C in complex with S-Benzyl-L-Cysteine
Descriptor: BENZYLCYSTEINE, Glutamate transporter homolog, SODIUM ION
Authors:Font, J, Scopelliti, A.J, Vandenberg, R.J, Boudker, O, Ryan, R.M.
Deposit date:2017-10-16
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural characterisation reveals insights into substrate recognition by the glutamine transporter ASCT2/SLC1A5.
Nat Commun, 9, 2018
6JCQ
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BU of 6jcq by Molmil
AAV1 in complex with AAVR
Descriptor: Capsid protein, Dyslexia-associated protein KIAA0319-like protein
Authors:Lou, Z, Zhang, R.
Deposit date:2019-01-30
Release date:2019-10-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
6JCT
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BU of 6jct by Molmil
AAV5 in neutral condition at 3.18 Ang
Descriptor: Capsid protein
Authors:Lou, Z, Zhang, R.
Deposit date:2019-01-30
Release date:2019-07-31
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Divergent engagements between adeno-associated viruses with their cellular receptor AAVR.
Nat Commun, 10, 2019
6N3B
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BU of 6n3b by Molmil
SegA-asym, conformation of TDP-43 low complexity domain segment A asym
Descriptor: TAR DNA-binding protein 43
Authors:Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2018-11-14
Release date:2019-06-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures of four polymorphic TDP-43 amyloid cores.
Nat.Struct.Mol.Biol., 26, 2019
6CP9
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BU of 6cp9 by Molmil
Contact-dependent growth inhibition toxin - immunity protein complex from Klebsiella pneumoniae 342
Descriptor: CdiA, CdiI
Authors:Michalska, K, Stols, L, Eschenfeldt, W, Hayes, C.S, Goulding, C.W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI)
Deposit date:2018-03-13
Release date:2019-03-13
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Convergent Evolution of the Barnase/EndoU/Colicin/RelE (BECR) Fold in Antibacterial tRNase Toxins.
Structure, 27, 2019
6N37
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BU of 6n37 by Molmil
SegA-sym, conformation of TDP-43 low complexity domain segment A sym
Descriptor: TAR DNA-binding protein 43
Authors:Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2018-11-14
Release date:2019-06-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-EM structures of four polymorphic TDP-43 amyloid cores.
Nat.Struct.Mol.Biol., 26, 2019
6CFF
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BU of 6cff by Molmil
Stimulator of Interferon Genes Human
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of interferon genes protein
Authors:Fernandez, D, Li, L, Ergun, S.L.
Deposit date:2018-02-14
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.396 Å)
Cite:STING Polymer Structure Reveals Mechanisms for Activation, Hyperactivation, and Inhibition.
Cell, 178, 2019
6BMI
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BU of 6bmi by Molmil
Crystal Structure of GltPh R397C in complex with L-Serine
Descriptor: Glutamate transporter homolog, SERINE, SODIUM ION
Authors:Font, J, Scopelliti, A.J, Vandenberg, R.J, Boudker, O, Ryan, R.M.
Deposit date:2017-11-14
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural characterisation reveals insights into substrate recognition by the glutamine transporter ASCT2/SLC1A5.
Nat Commun, 9, 2018
8DSG
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BU of 8dsg by Molmil
P411-PFA carbene transferase
Descriptor: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450-BM3 variant P411-PFA, ...
Authors:Maggiolo, A.O, Porter, N.J, Zhang, J, Arnold, F.H.
Deposit date:2022-07-22
Release date:2023-03-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Chemodivergent C(sp 3 )-H and C(sp 2 )-H Cyanomethylation Using Engineered Carbene Transferases.
Nat Catal, 6, 2023
6QEL
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BU of 6qel by Molmil
E. coli DnaBC apo complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA replication protein dnaC, MAGNESIUM ION, ...
Authors:Arias-Palomo, E, Puri, N, O'Shea Murray, V.L, Yan, Q, Berger, J.M.
Deposit date:2019-01-08
Release date:2019-03-06
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Physical Basis for the Loading of a Bacterial Replicative Helicase onto DNA.
Mol.Cell, 74, 2019
6HCR
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BU of 6hcr by Molmil
Synthetic Self-assembling ADDomer Platform for Highly Efficient Vaccination by Genetically-encoded Multi-epitope Display
Descriptor: Penton protein
Authors:Bufton, J.C, Berger, I, Schaffitzel, C, Garzoni, F, Rabi, F.A.
Deposit date:2018-08-16
Release date:2019-08-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Synthetic self-assembling ADDomer platform for highly efficient vaccination by genetically encoded multiepitope display.
Sci Adv, 5, 2019
6VOU
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BU of 6vou by Molmil
Aminoglycoside N-2'-Acetyltransferase-Ia [AAC(2')-Ia] in complex with acetylated-plazomicin and CoA
Descriptor: (2S)-N-[(1R,2S,3S,4R,5S)-4-{[(2S,3R)-3-(acetylamino)-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-yl]oxy}-5-amino-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-4-amino-2-hydroxybutanamide, (4S)-2-METHYL-2,4-PENTANEDIOL, 3,3',3''-phosphanetriyltripropanoic acid, ...
Authors:Bassenden, A.V, Berghuis, A.M.
Deposit date:2020-01-31
Release date:2021-06-02
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis for plazomicin antibiotic action and resistance.
Commun Biol, 4, 2021
6QEM
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BU of 6qem by Molmil
E. coli DnaBC complex bound to ssDNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA replication protein DnaC, MAGNESIUM ION, ...
Authors:Arias-Palomo, E, Puri, N, O'Shea Murray, V.L, Yan, Q, Berger, J.M.
Deposit date:2019-01-08
Release date:2019-03-06
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Physical Basis for the Loading of a Bacterial Replicative Helicase onto DNA.
Mol.Cell, 74, 2019
8E37
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BU of 8e37 by Molmil
Structure of Campylobacter concisus wild-type SeMet PglC
Descriptor: N,N'-diacetylbacilliosaminyl-1-phosphate transferase
Authors:Vuksanovic, N, Ray, L.C, Imperiali, B, Allen, K.N.
Deposit date:2022-08-16
Release date:2023-09-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Synergistic computational and experimental studies of a phosphoglycosyl transferase membrane/ligand ensemble.
J.Biol.Chem., 299, 2023
6N3A
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BU of 6n3a by Molmil
SegA-long, conformation of TDP-43 low complexity domain segment A long
Descriptor: TAR DNA-binding protein 43, segA long small
Authors:Cao, Q, Boyer, D.R, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2018-11-14
Release date:2019-06-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures of four polymorphic TDP-43 amyloid cores.
Nat.Struct.Mol.Biol., 26, 2019

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