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6E5G
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BU of 6e5g by Molmil
Crystal structure of human TEAD2-Yap binding domain covalently bound to an allosteric regulator
Descriptor: 1-(2-{[3-(trifluoromethyl)phenyl]amino}phenyl)ethan-1-one, Transcriptional enhancer factor TEF-4
Authors:Bum-Erdene, K, Gonzalez-Gutierrez, G, Meroueh, S.O.
Deposit date:2018-07-20
Release date:2019-01-09
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Small-Molecule Covalent Modification of Conserved Cysteine Leads to Allosteric Inhibition of the TEAD⋅Yap Protein-Protein Interaction.
Cell Chem Biol, 26, 2019
6GER
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BU of 6ger by Molmil
Wheat b-amylase, a clinically relevant food allergen
Descriptor: Beta-amylase
Authors:Hofer, G, Keller, W.
Deposit date:2018-04-27
Release date:2018-12-19
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.00004673 Å)
Cite:Three-dimensional structure of the wheat beta-amylase Tri a 17, a clinically relevant food allergen.
Allergy, 74, 2019
8OT2
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BU of 8ot2 by Molmil
Structural and functional studies of geldanamycin amide synthase ShGdmF
Descriptor: 1,2-ETHANEDIOL, 3-azanyl-5-methyl-phenol, ACETATE ION, ...
Authors:Ewert, W, Zeilinger, C, Kirschning, A, Preller, M.
Deposit date:2023-04-20
Release date:2024-05-01
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural and functional studies of geldanamycin amide synthase ShGdmF
To Be Published
8TBW
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BU of 8tbw by Molmil
Human Class I MHC HLA-A2 in complex with sorting nexin 24 (127-135) peptide KLSHQPVLL
Descriptor: Beta-2-microglobulin, HLA-A*02:01 alpha chain, NITRATE ION, ...
Authors:Arbuiso, A, Weiss, L.I, Brambley, C.A, Ma, J, Keller, G.L.J, Ayres, C.M, Baker, B.M.
Deposit date:2023-06-29
Release date:2024-01-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.081 Å)
Cite:Accurate modeling of peptide-MHC structures with AlphaFold.
Structure, 32, 2024
6RPP
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BU of 6rpp by Molmil
Crystal structure of PabCDC21-1 intein
Descriptor: ACETATE ION, Cell division control protein, DI(HYDROXYETHYL)ETHER
Authors:Mikula, K.M, Beyer, H.M, Iwai, H.
Deposit date:2019-05-14
Release date:2019-08-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site.
Extremophiles, 23, 2019
6RPQ
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BU of 6rpq by Molmil
Crystal structure of PhoCDC21-1 intein
Descriptor: Ubiquitin-like protein SMT3,1108aa long hypothetical cell division control protein
Authors:Beyer, H.M, Mikula, K.M, Iwai, H.
Deposit date:2019-05-14
Release date:2019-08-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.654 Å)
Cite:Crystal structures of CDC21-1 inteins from hyperthermophilic archaea reveal the selection mechanism for the highly conserved homing endonuclease insertion site.
Extremophiles, 23, 2019
8U9G
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BU of 8u9g by Molmil
Human Class I MHC HLA-A2 bound to sorting nexin 24 (127-135) neoantigen KLSHQLVLL
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Arbuiso, A, Weiss, L.I, Brambley, C.A, Ma, J, Keller, G.L.J, Ayres, C.M, Baker, B.M.
Deposit date:2023-09-19
Release date:2024-01-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Accurate modeling of peptide-MHC structures with AlphaFold.
Structure, 32, 2024
6SH7
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BU of 6sh7 by Molmil
Crystal structure of the human DEAH-helicase DHX15 in complex with the NKRF G-patch
Descriptor: NF-kappa-B-repressing factor, Pre-mRNA-splicing factor ATP-dependent RNA helicase DHX15
Authors:Jonas, S, Studer, M.K, Ivanovic, L.
Deposit date:2019-08-05
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural basis for DEAH-helicase activation by G-patch proteins.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TDB
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BU of 6tdb by Molmil
Neuropilin2-b1 domain in a complex with the C-terminal VEGFB167 peptide
Descriptor: 1,2-ETHANEDIOL, ACETYL GROUP, C-terminal VEGFB167 peptide, ...
Authors:Eldrid, C, Yu, L, Yelland, T, Fotinou, C, Djordjevic, S.
Deposit date:2019-11-08
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:NRP2-b1 domain in a complex with the C-terminal VEGFB167 peptide
To Be Published
8F43
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BU of 8f43 by Molmil
HNH Nuclease Domain from G. stearothermophilus Cas9, K597A mutant
Descriptor: CRISPR-associated endonuclease Cas9
Authors:D'Ordine, A.M, Belato, H.B, Lisi, G.P, Jogl, G.
Deposit date:2022-11-10
Release date:2022-12-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Disruption of electrostatic contacts in the HNH nuclease from a thermophilic Cas9 rewires allosteric motions and enhances high-temperature DNA cleavage.
J.Chem.Phys., 157, 2022
8EGZ
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BU of 8egz by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate
Descriptor: 1,2-ETHANEDIOL, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, POTASSIUM ION, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 2024
8EH0
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BU of 8eh0 by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with quinoline N-oxide
Descriptor: 1,2-ETHANEDIOL, 1-oxo-1lambda~5~-quinoline, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 2024
8EH1
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BU of 8eh1 by Molmil
Engineered tyrosine synthase (TmTyrS1) derived from T. maritima TrpB with Ser bound as the amino-acrylate intermediate and complexed with 4-hydroxyquinoline
Descriptor: 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, Engineered tyrosine synthase (TmTyrS1), POTASSIUM ION, ...
Authors:Porter, N.J, Almhjell, P.J, Arnold, F.H.
Deposit date:2022-09-13
Release date:2023-10-04
Last modified:2024-07-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:The beta-subunit of tryptophan synthase is a latent tyrosine synthase.
Nat.Chem.Biol., 2024
8F6U
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BU of 8f6u by Molmil
Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
Descriptor: CFTR inhibitory factor, Nanobody VHH113
Authors:Simard, A.R, Taher, N.M, Mishra, A.K, Madden, D.R.
Deposit date:2022-11-17
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
To Be Published
8F6V
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BU of 8f6v by Molmil
Crystal Structure of Nanobody VHH108 Bound to Its Antigen PA14 Cif
Descriptor: CFTR inhibitory factor, Nanobody VHH108
Authors:Simard, A.R, Madden, D.R.
Deposit date:2022-11-17
Release date:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Nanobody VHH113 Bound to Its Antigen PA14 Cif
To Be Published
8FOI
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BU of 8foi by Molmil
Native GABA-A receptor from the mouse brain, alpha1-beta2-gamma2 subtype, in complex with GABA and allopregnanolone
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, DODECANE, ...
Authors:Sun, C, Gouaux, E.
Deposit date:2022-12-30
Release date:2023-09-20
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Cryo-EM structures reveal native GABA A receptor assemblies and pharmacology.
Nature, 622, 2023
8G6C
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BU of 8g6c by Molmil
GTP Cyclohydrolase-IB with manganese
Descriptor: 1,2-ETHANEDIOL, GTP cyclohydrolase FolE2, MANGANESE (II) ION
Authors:McWhorter, K.L, Amaya Lopez, C.Y, Davis, K.M.
Deposit date:2023-02-14
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Combatting melioidosis with chemical synthetic lethality
To Be Published
8GAR
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BU of 8gar by Molmil
Nitrosomonas europaea Cytochrome P460 Arg44Ala
Descriptor: ACETATE ION, Cytochrome P460, HEME C
Authors:Bollmeyer, M.M, Lancaster, K.M.
Deposit date:2023-02-23
Release date:2023-07-05
Last modified:2023-07-12
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Cytochrome P460 Cofactor Maturation Proceeds via Peroxide-Dependent Post-translational Modification.
J.Am.Chem.Soc., 145, 2023
8CR8
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BU of 8cr8 by Molmil
human Interleukin-23
Descriptor: Interleukin-12 subunit beta, Interleukin-23 subunit alpha, TERBIUM(III) ION, ...
Authors:Bloch, Y, Savvides, S.N.
Deposit date:2023-03-08
Release date:2024-02-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23.
Nat.Struct.Mol.Biol., 31, 2024
7ZYU
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BU of 7zyu by Molmil
HDAC6 ZnF domain inhibitor - DARPin (Designed Ankyrin repeat protein) F10
Descriptor: 1,2-ETHANEDIOL, Designed Ankyrin repeat protein F10, Histone deacetylase 6, ...
Authors:Wang, L, Kempf, G.
Deposit date:2022-05-25
Release date:2022-06-01
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Disrupting the HDAC6-ubiquitin interaction impairs infection by influenza and Zika virus and cellular stress pathways.
Cell Rep, 39, 2022
7ZJ4
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BU of 7zj4 by Molmil
Ligand bound state of a brocolli-pepper aptamer FRET tile
Descriptor: 4-(3,5-difluoro-4-hydroxybenzyl)-1,2-dimethyl-1H-imidazol-5-ol, 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile, POTASSIUM ION, ...
Authors:McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S.
Deposit date:2022-04-08
Release date:2023-04-19
Method:ELECTRON MICROSCOPY (4.43 Å)
Cite:Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding
To Be Published
7ZJ5
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BU of 7zj5 by Molmil
Unbound state of a brocolli-pepper aptamer FRET tile.
Descriptor: POTASSIUM ION, brocolli-pepper aptamer
Authors:McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S.
Deposit date:2022-04-08
Release date:2023-04-19
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (4.55 Å)
Cite:Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding
To Be Published
6TX4
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BU of 6tx4 by Molmil
CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH 2-PYRIDONE
Descriptor: 1~{H}-pyridin-2-one, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP5, ...
Authors:Fiegen, D, Draxler, S.W.
Deposit date:2020-01-13
Release date:2020-05-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51.
J.Med.Chem., 63, 2020
6TYF
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BU of 6tyf by Molmil
Crystal structure of MTB sigma L transcription initiation complex with 6 nt long RNA primer
Descriptor: DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*AP*TP*CP*GP*AP*GP*GP*GP*T)-3'), DNA (5'-D(P*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Molodtsov, V, Ebright, R.H.
Deposit date:2019-08-08
Release date:2020-03-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020
6TYG
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BU of 6tyg by Molmil
Crystal structure of MTB sigma L transcription initiation complex with 9 nt long RNA primer
Descriptor: DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*AP*TP*CP*GP*AP*GP*GP*GP*TP*G)-3'), DNA (5'-D(P*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Molodtsov, V, Ebright, R.H.
Deposit date:2019-08-08
Release date:2020-03-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:RNA extension drives a stepwise displacement of an initiation-factor structural module in initial transcription.
Proc.Natl.Acad.Sci.USA, 117, 2020

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PDB entries from 2024-07-10

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