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8QPP
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BU of 8qpp by Molmil
Bacillus subtilis MutS2-collided disome complex (stalled 70S)
Descriptor: 16S rRNA (1533-MER), 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Park, E, Mackens-Kiani, T, Berhane, R, Esser, H, Erdenebat, C, Burroughs, A.M, Berninghausen, O, Aravind, L, Beckmann, R, Green, R, Buskirk, A.R.
Deposit date:2023-10-02
Release date:2023-12-27
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:B. subtilis MutS2 splits stalled ribosomes into subunits without mRNA cleavage.
Embo J., 43, 2024
8QMF
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BU of 8qmf by Molmil
Transketolase from Vibrio vulnificus in complex with thiamin pyrophosphate
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, NICKEL (II) ION, ...
Authors:Ballut, L, Georges, R.N, Octobre, G, Charmantray, F, Doumeche, B.
Deposit date:2023-09-22
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural determination and kinetic analysis of the transketolase from Vibrio vulnificus reveal unexpected cooperative behavior.
Protein Sci., 33, 2024
6WD1
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BU of 6wd1 by Molmil
Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure I-B)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Demo, G, Korostelev, A.A.
Deposit date:2020-03-31
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
7UMI
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BU of 7umi by Molmil
Importin a1 bound to Cp183-CTD
Descriptor: HBV-NLS, Importin subunit alpha-1
Authors:Yang, R, Cingolani, G.
Deposit date:2022-04-07
Release date:2023-10-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural basis for nuclear import of hepatitis B virus (HBV) nucleocapsid core.
Sci Adv, 10, 2024
7UD0
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BU of 7ud0 by Molmil
Room Temperature Drosophila Cryptochrome
Descriptor: Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Schneps, C.M, Crane, B.R.
Deposit date:2022-03-17
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Room-temperature serial synchrotron crystallography of Drosophila cryptochrome.
Acta Crystallogr D Struct Biol, 78, 2022
6LRZ
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BU of 6lrz by Molmil
Crystal structure of Keap1 in complex with dimethyl fumarate (DMF)
Descriptor: 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, ACETATE ION, Keap1-DC, ...
Authors:Padmanabhan, B, Unni, S, Deshmukh, P.
Deposit date:2020-01-16
Release date:2020-08-05
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural insights into the multiple binding modes of Dimethyl Fumarate (DMF) and its analogs to the Kelch domain of Keap1.
Febs J., 288, 2021
6TRP
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BU of 6trp by Molmil
Solution Structure of Docking Domain Complex of Pax NRPS: PaxC NDD - PaxB CDD
Descriptor: Peptide synthetase XpsB,Peptide synthetase XpsB
Authors:Watzel, J, Hacker, C, Duchardt-Ferner, E, Bode, H.B, Woehnert, J.
Deposit date:2019-12-19
Release date:2020-08-12
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A New Docking Domain Type in the Peptide-Antimicrobial-Xenorhabdus Peptide Producing Nonribosomal Peptide Synthetase fromXenorhabdus bovienii.
Acs Chem.Biol., 15, 2020
6W5E
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BU of 6w5e by Molmil
Class D beta-lactamase BSU-2
Descriptor: 1,2-ETHANEDIOL, BSU-2 beta-lactamase, MALONATE ION
Authors:Smith, C.A, Vakulenko, S.B, Stewart, N.K, Toth, M.
Deposit date:2020-03-13
Release date:2020-06-24
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A surface loop modulates activity of the Bacillus class D beta-lactamases.
J.Struct.Biol., 211, 2020
8S9Q
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BU of 8s9q by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H Mutant Complexed with STP03-0404
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-03-29
Release date:2024-02-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
5IO7
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BU of 5io7 by Molmil
Bovine beta-lactoglobulin complex with dodecane at high pressure (0.43 GPa)
Descriptor: Beta-lactoglobulin, CHLORIDE ION, DODECANE
Authors:Kurpiewska, K, Biela, A.
Deposit date:2016-03-08
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Investigation of high pressure effect on the structure and adsorption of beta-lactoglobulin.
Colloids Surf B Biointerfaces, 161, 2017
7ZJZ
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BU of 7zjz by Molmil
catalytically non active S532A mutant of oligopeptidase B from S. proteomaculans
Descriptor: Oligopeptidase B, SPERMINE
Authors:Petrenko, D.E, Boyko, K.M, Nikolaeva, A.Y, Vlaskina, A.V, Mikhailova, A.G, Timofeev, V.I, Rakitina, T.V.
Deposit date:2022-04-12
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Elucidation of the Conformational Transition of Oligopeptidase B by an Integrative Approach Based on the Combination of X-ray, SAXS, and Essential Dynamics Sampling Simulation
Crystals, 12, 2022
1CGX
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BU of 1cgx by Molmil
SITE DIRECTED MUTATIONS OF THE ACTIVE SITE RESIDUE TYROSINE 195 OF CYCLODEXTRIN GLYXOSYLTRANSFERASE FROM BACILLUS CIRCULANS STRAIN 251 AFFECTING ACTIVITY AND PRODUCT SPECIFICITY
Descriptor: CALCIUM ION, CYCLOMALTODEXTRIN GLUCANOTRANSFERASE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Strokopytov, B.V, Dijkstra, B.W.
Deposit date:1994-08-05
Release date:1995-02-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Site-directed mutations in tyrosine 195 of cyclodextrin glycosyltransferase from Bacillus circulans strain 251 affect activity and product specificity.
Biochemistry, 34, 1995
7Q1T
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BU of 7q1t by Molmil
A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB
Descriptor: N-PROPANOL, SULFATE ION, apCC-Di-A, ...
Authors:Shanmugaratnam, S, Rhys, G.G, Dawson, W.M, Woolfson, D.N, Hocker, B.
Deposit date:2021-10-20
Release date:2022-07-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:De novo designed peptides for cellular delivery and subcellular localisation.
Nat.Chem.Biol., 18, 2022
6WDC
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BU of 6wdc by Molmil
Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure IV-B)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Demo, G, Korostelev, A.A.
Deposit date:2020-03-31
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
6WDE
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BU of 6wde by Molmil
Cryo-EM of elongating ribosome with EF-Tu*GTP elucidates tRNA proofreading (Cognate Structure V-B)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Loveland, A.B, Demo, G, Korostelev, A.A.
Deposit date:2020-03-31
Release date:2020-07-01
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM of elongating ribosome with EF-Tu•GTP elucidates tRNA proofreading.
Nature, 584, 2020
1JLI
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BU of 1jli by Molmil
HUMAN INTERLEUKIN 3 (IL-3) MUTANT WITH TRUNCATION AT BOTH N-AND C-TERMINI AND 14 RESIDUE CHANGES, NMR, MINIMIZED AVERAGE STRUCTURE
Descriptor: INTERLEUKIN 3
Authors:Feng, Y, Klein, B.K, Mcwherter, C.A.
Deposit date:1995-12-14
Release date:1997-06-16
Last modified:2021-11-03
Method:SOLUTION NMR
Cite:Three-dimensional solution structure and backbone dynamics of a variant of human interleukin-3.
J.Mol.Biol., 259, 1996
5LV4
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BU of 5lv4 by Molmil
Crystal structure of mouse PRMT6 in complex with inhibitor LH1236
Descriptor: (2~{R})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[[4-azanyl-1-(methoxymethyl)-2-oxidanylidene-pyrimidin-5-yl]methyl]amino]-2-azanyl-butanoic acid, Protein arginine N-methyltransferase 6
Authors:Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J.
Deposit date:2016-09-12
Release date:2017-09-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors.
Philos. Trans. R. Soc. Lond., B, Biol. Sci., 373, 2018
8SWL
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BU of 8swl by Molmil
Substrate free structure of cytochrome P450 CYP105Q4 from mycobacterium marinum
Descriptor: Cytochrome P450 105Q4 Cyp105Q4, PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL
Authors:Mohamed, H.A, Bruning, J.B, Bell, S.G.
Deposit date:2023-05-19
Release date:2024-03-27
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Structural determination and characterisation of the CYP105Q4 cytochrome P450 enzyme from Mycobacterium marinum.
Arch.Biochem.Biophys., 754, 2024
1CGW
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BU of 1cgw by Molmil
SITE DIRECTED MUTATIONS OF THE ACTIVE SITE RESIDUE TYROSINE 195 OF CYCLODEXTRIN GLYCOSYLTRANSFERASE FROM BACILLUS CIRCULANS STRAIN 251 AFFECTING ACTIVITY AND PRODUCT SPECIFICITY
Descriptor: CALCIUM ION, CYCLOMALTODEXTRIN GLUCANOTRANSFERASE, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Strokopytov, B.V, Dijkstra, B.W.
Deposit date:1994-08-05
Release date:1995-02-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Site-directed mutations in tyrosine 195 of cyclodextrin glycosyltransferase from Bacillus circulans strain 251 affect activity and product specificity.
Biochemistry, 34, 1995
8AOC
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BU of 8aoc by Molmil
Specific covalent inhibitor of ERK2
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2022-10-05
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8AOE
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BU of 8aoe by Molmil
Specific covalent inhibitor(15) of ERK2
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ...
Authors:Cleasby, A.
Deposit date:2022-08-08
Release date:2022-09-28
Last modified:2023-05-24
Method:X-RAY DIFFRACTION (1.687 Å)
Cite:X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.
J.Med.Chem., 65, 2022
8FDG
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BU of 8fdg by Molmil
Cryo-EM structure of coagulation factor V short
Descriptor: Coagulation factor V
Authors:Mohammed, B.M, Pelc, L.A, Rau, M.J, Di Cera, E.
Deposit date:2022-12-03
Release date:2023-03-15
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of coagulation factor V short.
Blood, 141, 2023
5LJO
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BU of 5ljo by Molmil
E. coli BAM complex (BamABCDE) by cryoEM
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Iadanza, M.G, Ranson, N.A, Radford, S.E, Higgins, A.J, Schffrin, B, Calabrese, A.N, Ashcroft, A.E, Brockwell, D.J.
Deposit date:2016-07-19
Release date:2016-10-12
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Lateral opening in the intact beta-barrel assembly machinery captured by cryo-EM.
Nat Commun, 7, 2016
7Q7V
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BU of 7q7v by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 12a
Descriptor: 1,2-ETHANEDIOL, 2-chloranyl-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein, ...
Authors:Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2021-11-09
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
7Q7U
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BU of 7q7u by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 9a
Descriptor: 2-chloranyl-4-[[(2S)-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein
Authors:Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2021-11-09
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022

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