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8PJV
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BU of 8pjv by Molmil
Crystal structure of the computationally designed SAKe6DR protein
Descriptor: SAKe6DR
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
6XX5
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BU of 6xx5 by Molmil
Crystal structure of the c-Src SH3 domain H122R-Q128K mutant in complex with Ni(II) at pH 7.5 co-crystallized with methyl beta-cyclodextrin
Descriptor: Cyclic 2,3-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-2,6-di-O-methyl-alpha-D-glucopyranose-(1-4)-2-O-methyl-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-3-O-methyl-alpha-D-glucopyranose, NICKEL (II) ION, Proto-oncogene tyrosine-protein kinase Src
Authors:Camara-Artigas, A.
Deposit date:2020-01-26
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The effect of an engineered ATCUN motif on the structure and biophysical properties of the SH3 domain of c-Src tyrosine kinase.
J.Biol.Inorg.Chem., 25, 2020
6XKP
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BU of 6xkp by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CV07-270
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CV07-270 Heavy Chain, CV07-270 Light Chain, ...
Authors:Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A.
Deposit date:2020-06-26
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:A Therapeutic Non-self-reactive SARS-CoV-2 Antibody Protects from Lung Pathology in a COVID-19 Hamster Model.
Cell, 183, 2020
8PT8
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BU of 8pt8 by Molmil
JNK1 covalently bound to RU135 cyclohexenone based inhibitor
Descriptor: GLYCEROL, Mitogen-activated protein kinase 8, methyl (1R,3R)-1-methyl-3-[[3-[[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methylcarbamoyl]-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 (2.78 Å)
Cite:Tunable c-Jun N-terminal kinase (JNK) inhibitors that target a specific cysteine by a reversible covalent bond
To Be Published
7O85
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BU of 7o85 by Molmil
Anthrax toxin prepore in complex with the neutralizing Fab cAb29
Descriptor: CALCIUM ION, Fab, Protective antigen PA-63
Authors:Hoelzgen, F, Zalk, R, Alcalay, R, Cohen-Schwartz, S, Garau, G, Shahar, A, Mazor, O, Frank, G.A.
Deposit date:2021-04-14
Release date:2021-04-28
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Neutralization of the anthrax toxin by antibody-mediated stapling of its membrane-penetrating loop.
Acta Crystallogr D Struct Biol, 77, 2021
8PSR
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BU of 8psr by Molmil
ERK2 covalently bound to SynthRevD-12-opt artificial peptide
Descriptor: GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Sok, P, Poti, A, Gogl, G, Remenyi, A.
Deposit date:2023-07-13
Release date:2024-07-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
8PJY
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BU of 8pjy by Molmil
Crystal structure of the computationally designed SAKe6EEref protein
Descriptor: SAKe6EEref
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
8PMZ
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BU of 8pmz by Molmil
HEV gt3 P domain in complex with glycan-insensitive nAb p61.15
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pro-secreted protein ORF2, scFv_p61.15
Authors:Ssebyatika, G, Krey, T.
Deposit date:2023-06-29
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.912 Å)
Cite:A novel class of broadly neutralizing hepatitis E virus-specific human antibodies
To Be Published
8PIE
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BU of 8pie by Molmil
Crystal structure of the human nucleoside diphosphate kinase B domain in complex with the product AT-8500 formed by catalysis of compound AT-9010
Descriptor: GLYCEROL, Nucleoside diphosphate kinase B, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
Authors:Feracci, M, Chazot, A, Ferron, F, Alvarez, K, Canard, B.
Deposit date:2023-06-21
Release date:2024-07-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The activation chain of the broad-spectrum antiviral bemnifosbuvir at atomic resolution
Plos Biol., 2024
8PK1
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BU of 8pk1 by Molmil
Cas1-Cas2 CRISPR integrase bound to prespacer DNA, Streptococcus thermophilus DGCC 7710 CRISPR3 system
Descriptor: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2, Chains: G,J, ...
Authors:Sasnauskas, G, Gaizauskaite, U, Tamulaitiene, G.
Deposit date:2023-06-23
Release date:2024-07-10
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Structural basis for spacer acquisition in a type II-A CRISPR-Cas system
To Be Published
8PIP
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BU of 8pip by Molmil
DNA triplex structure with Polypyridyl Ruthenium Complexes
Descriptor: CHLORIDE ION, DNA (31-MER), Delta-Ru(phen)2(dppz) complex, ...
Authors:Abdullrahman, A, Cardin, C.J, Hall, J.P.
Deposit date:2023-06-22
Release date:2024-07-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:DNA triplex structure with bound ruthenium polypyridyl complexes
To Be Published
8PJR
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BU of 8pjr by Molmil
Crystal structure of the SAKe6AC-LB protein
Descriptor: SAKe6AC-LB
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Computational design of the SAKe scaffold protein
To Be Published
8PMY
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BU of 8pmy by Molmil
HEV gt3 P domain in complex with glycan-insensitive nAb p60.15
Descriptor: Capsid protein, ZINC ION, scFv_p60.15
Authors:Ssebyatika, G, Krey, T.
Deposit date:2023-06-29
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.406 Å)
Cite:A novel class of broadly neutralizing hepatitis E virus-specific human antibodies
To Be Published
8PNH
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BU of 8pnh by Molmil
Chorismate mutase
Descriptor: 3-PHENYLPYRUVIC ACID, 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, Bifunctional cyclohexadienyl dehydratase/chorismate mutase from Janthinobacterium sp. HH01, ...
Authors:Khatanbaatar, T, Cordara, G, Krengel, U.
Deposit date:2023-06-30
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chorismate mutase
To Be Published
8PJX
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BU of 8pjx by Molmil
Crystal structure of the computationally designed SAKe6FR protein
Descriptor: CALCIUM ION, SAKe6FR
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
8PJT
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BU of 8pjt by Molmil
Crystal structure of the computationally designed SAKe6DEref protein
Descriptor: SAKe6DEref
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
4XLF
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BU of 4xlf by Molmil
Tailspike protein double mutant D339N/E372A 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:2015-01-13
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein.
to be published
8PWE
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BU of 8pwe by Molmil
Crystal structure of VDR complex with Novel Des-C-Ring and Aromatic-D-Ring analog 3a
Descriptor: (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-hept-3-ynyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol, ACETATE ION, Nuclear receptor coactivator 2, ...
Authors:Rochel, N.
Deposit date:2023-07-20
Release date:2024-08-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel Des-C-Ring and Aromatic-D-Ring analogs Acting as Potent Agonists of the Vitamin D Receptor (VDR)
To Be Published
8PJS
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BU of 8pjs by Molmil
Crystal structure of the computationally designed SAKe6CEref protein
Descriptor: SAKeCEref
Authors:Wouters, S.M.L.
Deposit date:2023-06-23
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Computational design of the SAKe scaffold proteins
To Be Published
6XC2
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BU of 6xc2 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody CC12.1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.1 heavy chain, CC12.1 light chain, ...
Authors:Yuan, M, Liu, H, Wu, N.C, Zhu, X, Wilson, I.A.
Deposit date:2020-06-08
Release date:2020-07-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.112 Å)
Cite:Structural basis of a shared antibody response to SARS-CoV-2.
Science, 369, 2020
8PJ2
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BU of 8pj2 by Molmil
Structure of human 48S translation initiation complex in AUG recognition state after eIF5-induced GTP hydrolysis by eIF2 (48S-2)
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Petrychenko, V, Yi, S.-H, Liedtke, D, Peng, B.Z, Rodnina, M.V, Fischer, N.
Deposit date:2023-06-22
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for translational control by the human 48S initiation complex from codon scanning toward subunit joining
Nat.Struct.Mol.Biol., 2024
8PJ6
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BU of 8pj6 by Molmil
Structure of human 48S translation initiation complex with initiator tRNA, eIF1A and eIF3 (off-pathway)
Descriptor: 18S rRNA, 40S ribosomal protein S10, 40S ribosomal protein S11, ...
Authors:Petrychenko, V, Yi, S.-H, Liedtke, D, Peng, B.Z, Rodnina, M.V, Fischer, N.
Deposit date:2023-06-22
Release date:2024-08-14
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for translational control by the human 48S initiation complex from codon scanning toward subunit joining
Nat.Struct.Mol.Biol., 2024
8R8O
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BU of 8r8o by Molmil
Hallucinated de novo TIM barrel with three helical extensions - HalluTIM3-1
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Beck, J, Shanmugaratnam, S, Hocker, B.
Deposit date:2023-11-29
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Diversifying de novo TIM barrels by hallucination.
Protein Sci., 33, 2024
8QLV
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BU of 8qlv by Molmil
Crystal structure of the pneumococcal Substrate-binding protein AliB in complex with Peptide 4
Descriptor: Oligopeptide-binding protein AliB, VAL-MET-VAL-LYS-GLY-PRO-GLY-PRO-GLY-ARG
Authors:Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J.
Deposit date:2023-09-20
Release date:2024-05-22
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci.
Plos Pathog., 20, 2024
8QAH
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BU of 8qah by Molmil
X-ray crystal structure of a de novo designed single-chain parallel coiled-coil alpha-helical barrel with 8 inner helices, sc-CC-8-58
Descriptor: sc-CC-8-58
Authors:Petrenas, R, Albanese, K.I, Woolfson, D.N.
Deposit date:2023-08-22
Release date:2024-07-03
Last modified:2024-08-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Rationally seeded computational protein design of ɑ-helical barrels.
Nat.Chem.Biol., 20, 2024

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