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6QHQ
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BU of 6qhq by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 1128 ms
Descriptor: Fluoroacetate dehalogenase, fluoroacetic acid
Authors:Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
Deposit date:2019-01-17
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.735 Å)
Cite:Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
6QHW
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BU of 6qhw by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 4512 ms
Descriptor: Fluoroacetate dehalogenase, GLYCOLIC ACID, fluoroacetic acid
Authors:Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
Deposit date:2019-01-17
Release date:2019-09-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.718 Å)
Cite:Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
7ZVQ
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BU of 7zvq by Molmil
Crystal structure of the carotenoid-binding protein domain from silkworm Bombyx mori (BmCBP) in the apoform, S206V mutant
Descriptor: Carotenoid-binding protein
Authors:Sluchanko, N.N, Boyko, K.M, Varfolomeeva, L.A, Slonimskiy, Y.B, Egorkin, N.A, Maksimov, E.G, Popov, V.O.
Deposit date:2022-05-17
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the carotenoid binding and transport function of a START domain.
Structure, 30, 2022
7R7B
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BU of 7r7b by Molmil
1.50 Angstroem Crystal Structure of FeoA from Bacteroides fragilis
Descriptor: Ferrous iron transport protein B, GLYCEROL, PHOSPHATE ION
Authors:Sestok, A.E, Smith, A.T.
Deposit date:2021-06-24
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A fusion of the Bacteroides fragilis ferrous iron import proteins reveals a role for FeoA in stabilizing GTP-bound FeoB.
J.Biol.Chem., 298, 2022
5M8D
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BU of 5m8d by Molmil
Tubulin MTD265-R1 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ...
Authors:Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P.
Deposit date:2016-10-28
Release date:2017-03-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention.
Nat Commun, 8, 2017
6QHY
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BU of 6qhy by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 100 ms
Descriptor: Fluoroacetate dehalogenase, fluoroacetic acid
Authors:Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
Deposit date:2019-01-17
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
8G3G
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BU of 8g3g by Molmil
CryoEM structure of yeast recombination mediator Rad52
Descriptor: DNA repair and recombination protein RAD52
Authors:Deveryshetty, J, Basore, K, Rau, M, Fitzpatrick, J.A.J, Antony, E.
Deposit date:2023-02-07
Release date:2023-11-15
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Yeast Rad52 is a homodecamer and possesses BRCA2-like bipartite Rad51 binding modes.
Nat Commun, 14, 2023
8A8N
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BU of 8a8n by Molmil
Structure of self-assembling engineered protein nanocage (EPN) fused with hepatitis A pX protein
Descriptor: EPN-pX
Authors:Duyvesteyn, H.M.E, Stuart, D.I.
Deposit date:2022-06-23
Release date:2022-08-10
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:Nonlytic cellular release of hepatitis A virus requires dual capsid recruitment of the ESCRT-associated Bro1 domain proteins HD-PTP and ALIX.
Plos Pathog., 18, 2022
5MAG
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BU of 5mag by Molmil
Crystal structure of MELK in complex with an inhibitor
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Maternal embryonic leucine zipper kinase, ...
Authors:Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
Deposit date:2016-11-03
Release date:2017-12-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The target landscape of clinical kinase drugs.
Science, 358, 2017
6BPG
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BU of 6bpg by Molmil
Crystal structure of betaine aldehyde dehydrogenase from Pseudomonas aeruginosa with bound rubidium ions
Descriptor: NAD/NADP-dependent betaine aldehyde dehydrogenase, RUBIDIUM ION
Authors:Lopez-Orduna, E.F, Munoz-Clares, R.A, Gonzalez-Segura, L.
Deposit date:2017-11-23
Release date:2018-11-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.086 Å)
Cite:Crystallographic identification of monovalent cation-binding sites in two betaine aldehyde dehydrogenases
To Be Published
6NEM
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BU of 6nem by Molmil
3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one bound to influenza 2009 pH1N1 endonuclease
Descriptor: 3-hydroxy-5-[(naphthalen-1-yl)methyl]-6-[4-(1H-tetrazol-5-yl)phenyl]pyridin-2(1H)-one, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Bauman, J.D, Arnold, E.
Deposit date:2018-12-17
Release date:2019-05-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Aryl and Arylalkyl Substituted 3-Hydroxypyridin-2(1H)-ones: Synthesis and Evaluation as Inhibitors of Influenza A Endonuclease.
Chemmedchem, 14, 2019
6FSX
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BU of 6fsx by Molmil
The hit-and-return system enables efficient time-resolved serial synchrotron crystallography
Descriptor: Fluoroacetate dehalogenase
Authors:Schulz, E.C, Mehrabi, P, Mueller-werkmeiser, H, Tellkamp, F, Jha, A, Stuart, W, Persch, E, De Gasparo, R, Diederich, F, Pai, E, Miller, D.
Deposit date:2018-02-20
Release date:2018-10-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The hit-and-return system enables efficient time-resolved serial synchrotron crystallography.
Nat. Methods, 15, 2018
7ZQ6
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BU of 7zq6 by Molmil
70S E. coli ribosome with truncated uL23 and uL24 loops and a stalled filamin domain 5 nascent chain
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Mitropoulou, A, Wlodarski, T, Ahn, M, Becker, T.A, Beckmann, R, Cabrita, L.D, Christodoulou, J.
Deposit date:2022-04-29
Release date:2022-08-10
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Modulating co-translational protein folding by rational design and ribosome engineering.
Nat Commun, 13, 2022
7T3P
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BU of 7t3p by Molmil
IP3 and ATP bound type 3 IP3 receptor in the pre-active A state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ...
Authors:Schmitz, E.A, Takahashi, H, Karakas, E.
Deposit date:2021-12-08
Release date:2022-03-23
Last modified:2022-05-04
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for activation and gating of IP 3 receptors.
Nat Commun, 13, 2022
6QI3
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BU of 6qi3 by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 27072 ms
Descriptor: Fluoroacetate dehalogenase, GLYCOLIC ACID
Authors:Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
Deposit date:2019-01-17
Release date:2019-09-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.739 Å)
Cite:Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
6QIN
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BU of 6qin by Molmil
CRYSTAL STRUCTURE OF THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY
Descriptor: CHLORIDE ION, MAGNESIUM ION, PMGL2
Authors:Boyko, K.M, Nikolaeva, A.Y, Korzhenevskiy, D.A, Kryukova, M.V, Petrovskaya, L.E, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O.
Deposit date:2019-01-21
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of PMGL2 esterase from the hormone-sensitive lipase family with GCSAG motif around the catalytic serine.
Plos One, 15, 2020
7UVL
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BU of 7uvl by Molmil
IgA1 Protease with IgA1 substrate
Descriptor: Immunoglobulin alpha-1 heavy chain, Immunoglobulin alpha-1 heavy constant, Immunoglobulin alpha-1 light chain, ...
Authors:Eisenmesser, Z.E, Zheng, H.
Deposit date:2022-05-02
Release date:2022-11-23
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:A substrate-induced gating mechanism is conserved among Gram-positive IgA1 metalloproteases.
Commun Biol, 5, 2022
6QHS
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BU of 6qhs by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 564 ms
Descriptor: Fluoroacetate dehalogenase, fluoroacetic acid
Authors:Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
Deposit date:2019-01-17
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.733 Å)
Cite:Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
6WU9
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BU of 6wu9 by Molmil
50S subunit of 70S Ribosome Enterococcus faecalis MultiBody refinement
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Jogl, G, Khayat, R.
Deposit date:2020-05-04
Release date:2020-11-04
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-electron microscopy structure of the 70S ribosome from Enterococcus faecalis.
Sci Rep, 10, 2020
6QI0
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BU of 6qi0 by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 9024 ms
Descriptor: CALCIUM ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ...
Authors:Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
Deposit date:2019-01-17
Release date:2019-09-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.733 Å)
Cite:Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
1GQT
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BU of 1gqt by Molmil
Activation of Ribokinase by Monovalent Cations
Descriptor: CESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, RIBOKINASE, ...
Authors:Andersson, C.E, Mowbray, S.L.
Deposit date:2001-12-05
Release date:2002-01-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Activation of Ribokinase by Monovalent Cations.
J.Mol.Biol., 315, 2002
6QJR
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BU of 6qjr by Molmil
Crystal structure of a DNA dodecamer containing a tetramethylpyrrolinoxyl (nitroxide) spin label
Descriptor: DNA (5'-D(*CP*GP*CP*AP*AP*AP*AP*AP*AP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*TP*TP*TP*TP*TP*(5NO)P*GP*CP*G)-3')
Authors:Hardwick, J.S, Haugland, M.M, Ptchelkine, D, Brown, T, Anderson, E.E.
Deposit date:2019-01-24
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:2'-Alkynyl spin-labelling is a minimally perturbing tool for DNA structural analysis.
Nucleic Acids Res., 48, 2020
6QHV
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BU of 6qhv by Molmil
Time resolved structural analysis of the full turnover of an enzyme - 100 ms
Descriptor: Fluoroacetate dehalogenase, fluoroacetic acid
Authors:Schulz, E.C, Mehrabi, P, Pai, E.F, Miller, D.
Deposit date:2019-01-17
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.715 Å)
Cite:Time-resolved crystallography reveals allosteric communication aligned with molecular breathing.
Science, 365, 2019
6O1D
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BU of 6o1d by Molmil
Cryo-EM structure of the centromeric nucleosome with native alpha satellite DNA
Descriptor: DNA (145-MER), Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Zhou, B.-R.
Deposit date:2019-02-19
Release date:2019-05-22
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.395 Å)
Cite:Atomic resolution cryo-EM structure of a native-like CENP-A nucleosome aided by an antibody fragment.
Nat Commun, 10, 2019
6QLA
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BU of 6qla by Molmil
CRYSTAL STRUCTURE OF THE PMGL2 ESTERASE (point mutant 1) FROM PERMAFROST METAGENOMIC LIBRARY
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Boyko, K.M, Garsia, D, Nikolaeva, A.Y, Korzhenevskiy, D.A, Kryukova, M.V, Petrovskaya, L.E, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O.
Deposit date:2019-01-31
Release date:2019-12-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Crystal structure of PMGL2 esterase from the hormone-sensitive lipase family with GCSAG motif around the catalytic serine.
Plos One, 15, 2020

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