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6AUI
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BU of 6aui by Molmil
Human ribonucleotide reductase large subunit (alpha) with dATP and CDP
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Brignole, E.J, Drennan, C.L, Asturias, F.J, Tsai, K.L, Penczek, P.A.
Deposit date:2017-09-01
Release date:2018-04-18
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:3.3- angstrom resolution cryo-EM structure of human ribonucleotide reductase with substrate and allosteric regulators bound.
Elife, 7, 2018
5IY8
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BU of 5iy8 by Molmil
Human holo-PIC in the initial transcribing state
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB10, DNA-directed RNA polymerase II subunit RPB11-a, ...
Authors:He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E.
Deposit date:2016-03-24
Release date:2016-05-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (7.9 Å)
Cite:Near-atomic resolution visualization of human transcription promoter opening.
Nature, 533, 2016
5ODF
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BU of 5odf by Molmil
NtMe polyamide in complex with 5'CGATGTACATCG3'- hairpin polyamides studies
Descriptor: DNA (5'-D(*CP*GP*AP*TP*GP*TP*AP*CP*AP*TP*CP*G)-3'), NtMe polyamide
Authors:Padroni, G, Parkinson, J, Burley, G.A.
Deposit date:2017-07-05
Release date:2017-12-20
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structural basis of DNA duplex distortion induced by thiazole-containing hairpin polyamides.
Nucleic Acids Res., 46, 2018
6E34
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BU of 6e34 by Molmil
Capsid protein of PCV2 with N,O6-DISULFO-GLUCOSAMINE and 2-O-sulfo-alpha-L-idopyranuronic acid
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Capsid protein of PCV2
Authors:Khayat, R, Dhindwal, S.
Deposit date:2018-07-13
Release date:2018-12-26
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Porcine Circovirus 2 Uses a Multitude of Weak Binding Sites To Interact with Heparan Sulfate, and the Interactions Do Not Follow the Symmetry of the Capsid.
J.Virol., 93, 2019
6XZ7
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BU of 6xz7 by Molmil
E. coli 50S ribosomal subunit in complex with dirithromycin, fMet-Phe-tRNA(Phe) and deacylated tRNA(iMet).
Descriptor: 23S rRNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ...
Authors:Pichkur, E.B, Polikanov, Y.S, Myasnikov, A.G, Konevega, A.L.
Deposit date:2020-02-03
Release date:2020-07-22
Method:ELECTRON MICROSCOPY (2.1 Å)
Cite:Insights into the improved macrolide inhibitory activity from the high-resolution cryo-EM structure of dirithromycin bound to theE. coli70S ribosome.
Rna, 26, 2020
8TV4
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BU of 8tv4 by Molmil
NMR structure of temporin L in solution
Descriptor: Temporin-1Tl peptide
Authors:McShan, A.C, Jia, R, Halim, M.A.
Deposit date:2023-08-17
Release date:2023-09-06
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Antiviral peptides inhibiting the main protease of SARS-CoV-2 investigated by computational screening and in vitro protease assay.
J.Pept.Sci., 30, 2024
8UPL
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BU of 8upl by Molmil
Cryo-EM structure of a Clockwise locked form of the Salmonella enterica Typhimurium flagellar C-ring, with C34 symmetry applied
Descriptor: Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliM, ...
Authors:Johnson, S, Deme, J.C, Lea, S.M.
Deposit date:2023-10-22
Release date:2024-01-24
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Structural basis of directional switching by the bacterial flagellum.
Nat Microbiol, 9, 2024
5OMJ
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BU of 5omj by Molmil
R2-like ligand-binding oxidase with aerobically reconstituted metal cofactor after photoconversion
Descriptor: FE (III) ION, PALMITIC ACID, Ribonucleotide reductase small subunit
Authors:Griese, J.J, Hogbom, M.
Deposit date:2017-07-31
Release date:2018-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.005 Å)
Cite:Driving Protein Conformational Changes with Light: Photoinduced Structural Rearrangement in a Heterobimetallic Oxidase.
J. Am. Chem. Soc., 140, 2018
5IY6
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BU of 5iy6 by Molmil
Human holo-PIC in the closed state
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB10, DNA-directed RNA polymerase II subunit RPB11-a, ...
Authors:He, Y, Yan, C, Fang, J, Inouye, C, Tjian, R, Ivanov, I, Nogales, E.
Deposit date:2016-03-24
Release date:2016-05-18
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (7.2 Å)
Cite:Near-atomic resolution visualization of human transcription promoter opening.
Nature, 533, 2016
6E39
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BU of 6e39 by Molmil
Capsid protein of PCV2 with 2-O-sulfo-alpha-L-idopyranuronic acid and N,O6-DISULFO-GLUCOSAMINE
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid, Capsid protein of PCV2
Authors:Khayat, R, Dhindwal, S.
Deposit date:2018-07-13
Release date:2018-12-26
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Porcine Circovirus 2 Uses a Multitude of Weak Binding Sites To Interact with Heparan Sulfate, and the Interactions Do Not Follow the Symmetry of the Capsid.
J.Virol., 93, 2019
5J7Y
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BU of 5j7y by Molmil
Architecture of loose respirasome
Descriptor: COMPLEX I 13KDA/NDUFS6, COMPLEX I 15KDA/NDUFS5, COMPLEX I 18KDA/NDUFS6, ...
Authors:Letts, J.A, Fiedorczuk, F, Sazanov, L.A.
Deposit date:2016-04-07
Release date:2016-09-21
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:The architecture of respiratory supercomplexes.
Nature, 537, 2016
6ECI
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BU of 6eci by Molmil
Structure of the FAD binding protein MSMEG_5243 from Mycobacterium smegmatis
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pyridoxamine 5'-phosphate oxidase-related, ...
Authors:Ahmed, F.H, Antoney, J, Carr, P.D, Jackson, C.J.
Deposit date:2018-08-07
Release date:2018-12-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:FAD-sequestering proteins protect mycobacteria against hypoxic and oxidative stress.
J. Biol. Chem., 294, 2019
6PKG
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BU of 6pkg by Molmil
Zebrafish N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase (NAGPA) catalytic domain auto-inhibited by pro-peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, HEXAETHYLENE GLYCOL, IODIDE ION, ...
Authors:Gorelik, A, Illes, K, Nagar, B.
Deposit date:2019-06-29
Release date:2020-02-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Mannose-6-Phosphate Uncovering Enzyme.
Structure, 28, 2020
6EE2
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BU of 6ee2 by Molmil
X-ray crystal structure of Pf-M17 in complex with inhibitor 6i and regulatory zinc ion
Descriptor: 1,2-ETHANEDIOL, CARBONATE ION, DIMETHYL SULFOXIDE, ...
Authors:Drinkwater, N, McGowan, S.
Deposit date:2018-08-13
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Hydroxamic Acid Inhibitors Provide Cross-Species Inhibition of Plasmodium M1 and M17 Aminopeptidases.
J. Med. Chem., 62, 2019
5OPL
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BU of 5opl by Molmil
Crystal structure of K25E cN-II mutant
Descriptor: Cytosolic purine 5'-nucleotidase, GLYCEROL, MAGNESIUM ION
Authors:Kugler, M, Hnizda, A, Pachl, P, Rezacova, P.
Deposit date:2017-08-10
Release date:2018-06-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Relapsed acute lymphoblastic leukemia-specific mutations in NT5C2 cluster into hotspots driving intersubunit stimulation.
Leukemia, 32, 2018
8U01
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BU of 8u01 by Molmil
Crystal Structure of the Glycoside Hydrolase Family 2 TIM Barrel-domain Containing Protein from Phocaeicola plebeius
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Kim, Y, Joachimiak, G, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2023-08-28
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal Structure of the Glycoside Hydrolase Family 2 TIM Barrel-domain Containing Protein from Phocaeicola plebeius
To Be Published
6PD2
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BU of 6pd2 by Molmil
PntC-AEPT: fusion protein of phosphonate-specific cytidylyltransferase and 2-aminoethylphosphonate (AEP) transaminase from Treponema denticola in complex with cytidine monophosphate-AEP
Descriptor: 1,2-ETHANEDIOL, 5'-O-[(S)-{[(R)-(2-aminoethyl)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine, ACETATE ION, ...
Authors:Suits, M.D.L, Whiteside, J.
Deposit date:2019-06-18
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The predominance of nucleotidyl activation in bacterial phosphonate biosynthesis.
Nat Commun, 10, 2019
6E9P
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BU of 6e9p by Molmil
Crystal structure of tryptophan synthase from M. tuberculosis - open form with BRD0059 bound
Descriptor: (2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Satchell, K, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-08-01
Release date:2018-08-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.569 Å)
Cite:Crystal structure of tryptophan synthase from M. tuberculosis - closed form with BRD6309 bound
To be Published
8U5F
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BU of 8u5f by Molmil
Crystal Structure of Trypsinized Clostridium perfringens Enterotoxin
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Heat-labile enterotoxin B chain, ...
Authors:Kapoor, S, Ogbu, C.P, Vecchio, A.J.
Deposit date:2023-09-12
Release date:2023-09-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural Basis of Clostridium perfringens Enterotoxin Activation and Oligomerization by Trypsin.
Toxins, 15, 2023
6EAC
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BU of 6eac by Molmil
Pseudomonas syringae SelO
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Tomchick, D.R, Tagliabracci, V.S, Sreelatha, A.
Deposit date:2018-08-02
Release date:2018-10-03
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.269 Å)
Cite:Protein AMPylation by an Evolutionarily Conserved Pseudokinase.
Cell, 175, 2018
6E30
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BU of 6e30 by Molmil
Mechanism of cellular recognition by PCV2
Descriptor: 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(1-4)-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, Capsid protein of PCV2
Authors:Khayat, R, Dhindwal, S.
Deposit date:2018-07-12
Release date:2018-12-26
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Porcine Circovirus 2 Uses a Multitude of Weak Binding Sites To Interact with Heparan Sulfate, and the Interactions Do Not Follow the Symmetry of the Capsid.
J.Virol., 93, 2019
6XB9
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BU of 6xb9 by Molmil
Crystal structure of Azotobacter vinelandii 3-mercaptopropionic acid dioxygenase in complex with 3-hydroxypropionic acid
Descriptor: 3-HYDROXY-PROPANOIC ACID, CHLORIDE ION, Cysteine dioxygenase type I protein, ...
Authors:Kiser, P.D, Khadka, N, Shi, W, Pierce, B.S.
Deposit date:2020-06-05
Release date:2021-03-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure of 3-mercaptopropionic acid dioxygenase with a substrate analog reveals bidentate substrate binding at the iron center.
J.Biol.Chem., 296, 2021
6XE3
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BU of 6xe3 by Molmil
Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site.
Descriptor: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2020-06-11
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Salmonella typhimurium Tryptophan Synthase beta-S377A mutant in complex with inhibitor F9 at the enzyme alpha-site, cesium ion at the metal coordination site and carbanion III E(C3) at the enzyme beta-site.
To be Published
5OXV
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BU of 5oxv by Molmil
Structure of the 4_601_157 tetranucleosome (C2 form)
Descriptor: DNA STRAND 1 (601-based sequence model), DNA STRAND 2 (601-based sequence model), Histone H2A, ...
Authors:Ekundayo, B, Schalch, T.
Deposit date:2017-09-07
Release date:2017-10-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (6.721 Å)
Cite:Capturing Structural Heterogeneity in Chromatin Fibers.
J. Mol. Biol., 429, 2017
6AV6
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BU of 6av6 by Molmil
Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2017-09-01
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker.
J. Med. Chem., 60, 2017

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PDB entries from 2024-08-28

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