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8PJQ
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BU of 8pjq by Molmil
Crystal structure of the SAKe2BE protein
Descriptor: SAKe2BE
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
8PRS
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BU of 8prs by Molmil
The structure of nvBagel4
Descriptor: nvBagel4
Authors:Vandebroek, L, Voet, A.R.D, Lee, X.Y.
Deposit date:2023-07-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structure of nvBagel4
To Be Published
8PTA
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BU of 8pta by Molmil
JNK1 covalently bound to BD837 cyclohexenone based inhibitor
Descriptor: GLYCEROL, Mitogen-activated protein kinase 8, methyl (1R,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate
Authors:Sok, P, Poti, A, Remenyi, A.
Deposit date:2023-07-13
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Tunable c-Jun N-terminal kinase (JNK) inhibitors that target a specific cysteine by a reversible covalent bond
To Be Published
8PU2
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BU of 8pu2 by Molmil
Structure of the antitoxin ATfaRel2
Descriptor: Antitoxin ATfaRel2, antidote of FaRel2, PHOSPHATE ION
Authors:Garcia-Pino, A, Talavera Perez, A, Dominguez Molina, L.
Deposit date:2023-07-16
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Structure of the antitoxin ATfaRel2
To Be Published
8PJW
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BU of 8pjw by Molmil
Crystal structure of the computationally designed SAKe6FE protein
Descriptor: SAKe6FE
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
8PMN
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BU of 8pmn by Molmil
transcription factor BARHL2 bound to DNA sequences
Descriptor: BarH-like 2 homeobox protein, DNA
Authors:Morgunova, E, Popov, A, Yin, Y, Taipale, J.
Deposit date:2023-06-29
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:transcription factor BARHL2 bound to DNA sequences
To Be Published
8PU3
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BU of 8pu3 by Molmil
Complex of the toxin/antitoxin FaRel2/ATfaRel2
Descriptor: ATfaRel2, FaRel2
Authors:Garcia-Pino, A, Talavera Perez, A, Dominguez Molina, L.
Deposit date:2023-07-16
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure of the toxin/antitoxin complex FaRel2/ATfaRel2
To Be Published
4XOR
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BU of 4xor by Molmil
Tailspike protein double mutant D339N/E372Q of E. coli bacteriophage HK620 in complex with pentasaccharide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ...
Authors:Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S.
Deposit date:2015-01-16
Release date:2016-01-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
8PN4
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BU of 8pn4 by Molmil
transcription factor BARHL2 bound to DNA sequences
Descriptor: ACETATE ION, BarH-like 2 homeobox protein, DNA
Authors:Morgunova, E, Yin, Y, Popov, A, Taipale, J.
Deposit date:2023-06-29
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:transcription factor BARHL2 bound to DNA sequences
To Be Published
7TTX
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BU of 7ttx by Molmil
Crystal structure of potent neutralizing antibody 10-40 in complex with Sarbecovirus bat RaTG13 receptor-binding domain
Descriptor: 1040 heavy chain, 1040 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Reddem, E.R, Shapiro, L.
Deposit date:2022-02-02
Release date:2022-04-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An antibody class with a common CDRH3 motif broadly neutralizes sarbecoviruses.
Sci Transl Med, 14, 2022
8PMW
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BU of 8pmw by Molmil
HEV gt3 P domain in complex with glycan-sensitive nAb p60.1
Descriptor: ACETATE ION, Capsid protein, SULFATE ION, ...
Authors:Ssebyatika, G, Krey, T.
Deposit date:2023-06-29
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:A novel class of broadly neutralizing hepatitis E virus-specific human antibodies
To Be Published
4XQ5
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BU of 4xq5 by Molmil
Human-infecting H10N8 influenza virus retains strong preference for avian-type receptors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Tzarum, N, Zhang, H, Zhu, X, Wilson, I.A.
Deposit date:2015-01-19
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.592 Å)
Cite:A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors.
Cell Host Microbe, 17, 2015
8PQO
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BU of 8pqo by Molmil
PITP in complex with the inhibitor VT01545
Descriptor: GLYCEROL, IMIDAZOLE, Inhibitor VT01545, ...
Authors:Boura, E, Eisenreichova, A.
Deposit date:2023-07-11
Release date:2024-05-08
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:PITP in complex with the inhibitor VT01545
To Be Published
6ZJX
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BU of 6zjx by Molmil
Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant D207A in complex with saccharose
Descriptor: ACETATE ION, Beta-galactosidase, MALONATE ION, ...
Authors:Rutkiewicz, M, Bujacz, A, Bujacz, G.
Deposit date:2020-06-29
Release date:2020-08-05
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.206 Å)
Cite:Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 21, 2020
8AVA
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BU of 8ava by Molmil
Leukotriene A4 hydrolase in complex with 4-(4-benzylphenyl)-oxazol-2-amine
Descriptor: 4-[4-(phenylmethyl)phenyl]-1,3-oxazol-2-amine, ACETATE ION, GLYCEROL, ...
Authors:Teder, T, Haeggstrom, J.Z.
Deposit date:2022-08-26
Release date:2023-05-03
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.354 Å)
Cite:Modulation of the 5-Lipoxygenase Pathway by Chalcogen-Containing Inhibitors of Leukotriene A 4 Hydrolase.
Int J Mol Sci, 24, 2023
4XX4
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BU of 4xx4 by Molmil
Renin in complex with (4S)-4-isopropyl-4-methyl-6-oxo-1-(3-(2-oxo-4-phenylpyrrolidin-1-yl)benzyl)tetrahydropyrimidin-2(1H)-iminium
Descriptor: (2Z,6S)-2-imino-6-methyl-3-{3-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]benzyl}-6-(propan-2-yl)tetrahydropyrimidin-4(1H)-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
Authors:Orth, P.
Deposit date:2015-01-29
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors.
Bioorg. Med. Chem. Lett., 25, 2015
8PJL
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BU of 8pjl by Molmil
DNA duplex forming base triplets in minor groove
Descriptor: DNA (5'-D(*AP*AP*CP*TP*GP*AP*GP*AP*GP*AP*CP*GP*TP*A)-3'), DNA (5'-D(*TP*AP*CP*GP*TP*CP*TP*CP*TP*CP*AP*GP*TP*C)-3'), MAGNESIUM ION, ...
Authors:Abdullrahman, A, Cardin, C.J, Hall, J.P.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:DNA duplex with triplets bases in minor groove
To Be Published
8PJ9
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BU of 8pj9 by Molmil
Cas9 bound to cognate DNA, Streptococcus thermophilus DGCC 7710 CRISPR3 system
Descriptor: CRISPR-associated endonuclease Cas9, DNA oligoduplex, non-target strand, ...
Authors:Sasnauskas, G, Gaizauskaite, U, Tamulaitiene, G.
Deposit date:2023-06-23
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Structural basis for spacer acquisition in a type II-A CRISPR-Cas system
To Be Published
8PN0
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BU of 8pn0 by Molmil
HEV gt3 P domain in complex with glycan-sensitive nAb p60.12
Descriptor: Capsid protein, Fab_p60.12-HC, Fab_p60.12-LC
Authors:Ssebyatika, G, Krey, T.
Deposit date:2023-06-29
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.072 Å)
Cite:A novel class of broadly neutralizing hepatitis E virus-specific human antibodies
To Be Published
8Q3W
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BU of 8q3w by Molmil
ATP-bound IstB in complex to duplex DNA
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA (48-MER) Target DNA FW, DNA (48-MER) Traget DNA Rv, ...
Authors:de la Gandara, A, Spinola-Amilibia, M, Araujo-Bazan, L, Nunez-Ramirez, R, Berger, J.M, Arias-Palomo, E.
Deposit date:2023-08-04
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Molecular basis for transposase activation by a dedicated AAA+ ATPase.
Nature, 630, 2024
8PT9
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BU of 8pt9 by Molmil
JNK1 covalently bound to BD838 cyclohexenone based inhibitor
Descriptor: Mitogen-activated protein kinase 8, methyl (1S,3S)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]carbamoyl]-4-oxidanylidene-cyclohexane-1-carboxylate
Authors:Sok, P, Poti, A, Remenyi, A.
Deposit date:2023-07-13
Release date:2024-07-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Tunable c-Jun N-terminal kinase (JNK) inhibitors that target a specific cysteine by a reversible covalent bond
To Be Published
8PRJ
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BU of 8prj by Molmil
The structure of v31Bagel8
Descriptor: CHLORIDE ION, v31Bagel8
Authors:Vandebroek, L, Voet, A.R.D, Lee, X.Y.
Deposit date:2023-07-12
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The structure of v13Bagel8
To Be Published
8PX6
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BU of 8px6 by Molmil
Hepatitis B core protein with bound SLLGRM-dimer
Descriptor: External core antigen, SLLGRM-dimer
Authors:Makbul, C, Khayenko, V, Maric, M.H, Bottcher, B.
Deposit date:2023-07-22
Release date:2024-07-31
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Peptide dimers aggregate Hepatitis B core proteins in live cells
To Be Published
4XBQ
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BU of 4xbq by Molmil
Crystal Structure of Human Galectin-7 in Complex with Type 1 N-acetyllactosamine
Descriptor: Galectin-7, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Hsieh, T.J, Lin, H.Y, Lin, C.H.
Deposit date:2014-12-17
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.234 Å)
Cite:Structural Basis Underlying the Binding Preference of Human Galectins-1, -3 and -7 for Gal beta 1-3/4GlcNAc.
Plos One, 10, 2015
8PJZ
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BU of 8pjz by Molmil
Crystal structure of the computationally designed SAKe6EEtal protein
Descriptor: SAKe6EEtal
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published

224004

數據於2024-08-21公開中

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