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6GKM
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CryoEM structure of the MDA5-dsRNA filament in complex with ATP (10 mM)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Interferon-induced helicase C domain-containing protein 1, RNA (5'-R(P*CP*AP*AP*GP*CP*CP*GP*AP*GP*GP*AP*GP*AP*G)-3'), ...
Authors:Yu, Q, Qu, K, Modis, Y.
Deposit date:2018-05-21
Release date:2018-11-21
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Cryo-EM Structures of MDA5-dsRNA Filaments at Different Stages of ATP Hydrolysis.
Mol. Cell, 72, 2018
8ORV
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Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1203
Descriptor: 9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, MPXVgp165
Authors:Duchoslav, V, Klima, M, Boura, E.
Deposit date:2023-04-17
Release date:2023-12-20
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function.
Structure, 32, 2024
8P44
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Crystal structure of monkeypox virus poxin in complex with the STING agonist MD1202D
Descriptor: 9-[(1~{S},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, MPXVgp165
Authors:Duchoslav, V, Klima, M, Boura, E.
Deposit date:2023-05-19
Release date:2023-12-20
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function.
Structure, 32, 2024
8P45
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Crystal structure of human STING in complex with the agonist MD1202D
Descriptor: 9-[(1~{S},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon genes protein
Authors:Klima, M, Boura, E.
Deposit date:2023-05-19
Release date:2023-12-20
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function.
Structure, 32, 2024
8ORW
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BU of 8orw by Molmil
Crystal structure of human STING in complex with the agonist MD1203
Descriptor: 9-[(1~{S},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13-pentaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one, Stimulator of interferon protein
Authors:Klima, M, Boura, E.
Deposit date:2023-04-17
Release date:2023-12-20
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Fluorinated cGAMP analogs, which act as STING agonists and are not cleavable by poxins: Structural basis of their function.
Structure, 32, 2024
6UZ7
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BU of 6uz7 by Molmil
K.lactis 80S ribosome with p/PE tRNA and eIF5B
Descriptor: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0, ...
Authors:Fernandez, I.S, Huang, B.Y.
Deposit date:2019-11-14
Release date:2020-01-15
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Long-range interdomain communications in eIF5B regulate GTP hydrolysis and translation initiation.
Proc.Natl.Acad.Sci.USA, 117, 2020
8P6Q
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BU of 8p6q by Molmil
Racemic structure of TNFR1 cysteine-rich domain
Descriptor: D-TNFR-1 CRD2, SULFATE ION, Tumor necrosis factor-binding protein 1
Authors:Lander, A.J, Jin, Y, Luk, L.Y.P.
Deposit date:2023-05-28
Release date:2024-01-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Deciphering the Synthetic and Refolding Strategy of a Cysteine-Rich Domain in the Tumor Necrosis Factor Receptor (TNF-R) for Racemic Crystallography Analysis and d-Peptide Ligand Discovery.
Acs Bio Med Chem Au, 4, 2024
7MZT
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BU of 7mzt by Molmil
Borrelia burgdorferi BBK32-C in complex with an autolytic fragment of human C1r at 4.1A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C1r subcomponent heavy chain, Complement C1r subcomponent light chain, ...
Authors:Garcia, B.L.
Deposit date:2021-05-24
Release date:2021-09-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (4.07 Å)
Cite:A Structural Basis for Inhibition of the Complement Initiator Protease C1r by Lyme Disease Spirochetes.
J Immunol., 207, 2021
6HOA
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BU of 6hoa by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44830
Descriptor: 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, GLYCEROL, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6V7G
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BU of 6v7g by Molmil
Binding of Benzoic Acid and Anions Within the Cupin Domains of the Vicillin Protein Canavalin from Jack Bean (canavalia ensiformis): Crystal Structures
Descriptor: ACETATE ION, BENZOIC ACID, CITRIC ACID, ...
Authors:McPherson, A.
Deposit date:2019-12-08
Release date:2020-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Binding of benzoic acid and anions within the cupin domains of the vicilin protein canavalin from jack bean (Canavalia ensiformis): Crystal structures.
Biochem.Biophys.Res.Commun., 524, 2020
8P0T
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BU of 8p0t by Molmil
CryoEM structure of 20S Trichomonas vaginalis proteasome in complex with proteasome inhibitor CP-17
Descriptor: Family T1, proteasome alpha subunit, threonine peptidase, ...
Authors:Silhan, J, Boura, E, Fajtova, P.
Deposit date:2023-05-10
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Tv20S proteasome in the complex with marizomib
To Be Published
6Q72
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BU of 6q72 by Molmil
Crystal structure of the alanine racemase from Bacillus subtilis in the presence of only PEG 4000 and Magnesium chloride in the crystallization condition
Descriptor: Alanine racemase 2, CHLORIDE ION, PYRIDOXAL-5'-PHOSPHATE
Authors:Bernardo-Garcia, N, Gago, F, Hermoso, J.A.
Deposit date:2018-12-12
Release date:2019-04-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase.
Org.Biomol.Chem., 17, 2019
6HOC
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BU of 6hoc by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44847
Descriptor: 4-azido-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
4NCY
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BU of 4ncy by Molmil
In situ trypsin crystallized on a MiTeGen micromesh with imidazole ligand
Descriptor: 1,2-ETHANEDIOL, BENZAMIDINE, CALCIUM ION, ...
Authors:Yin, X, Scalia, A, Leroy, L, Cuttitta, C.M, Polizzo, G.M, Ericson, D.L, Roessler, C.G, Campos, O, Agarwal, R, Allaire, M, Orville, A.M, Jackimowicz, R, Ma, M.Y, Sweet, R.M, Soares, A.S.
Deposit date:2013-10-25
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Hitting the target: fragment screening with acoustic in situ co-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes.
Acta Crystallogr.,Sect.D, 70, 2014
1JO3
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BU of 1jo3 by Molmil
Gramicidin B in Sodium Dodecyl Sulfate Micelles (NMR)
Descriptor: GRAMICIDIN B
Authors:Townsley, L.E, Tucker, W.A, Hinton, J.F.
Deposit date:2001-07-26
Release date:2001-08-08
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structures of Gramicidins A, B, and C Incorporated Into Sodium Dodecyl Sulfate Micelles.
Biochemistry, 40, 2001
8IS2
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BU of 8is2 by Molmil
Crystal structure of a polyketide aromatase/cyclase Abx(+)D from Actinomycetes sp. MA7150.
Descriptor: Cyclase
Authors:Luo, S, Chen, X.
Deposit date:2023-03-20
Release date:2024-02-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:An unusual aromatase/cyclase programs the formation of the phenyldimethylanthrone framework in anthrabenzoxocinones and fasamycin.
Proc.Natl.Acad.Sci.USA, 121, 2024
1JP9
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BU of 1jp9 by Molmil
Sperm Whale met-Myoglobin (low temperature; high pressure)
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, myoglobin
Authors:Urayama, P, Gruner, S.M, Phillips Jr, G.N.
Deposit date:2001-08-01
Release date:2002-01-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Probing substates in sperm whale myoglobin using high-pressure crystallography.
Structure, 10, 2002
6HHW
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BU of 6hhw by Molmil
Structure of T. thermophilus AspRS in Complex with 5'-O-(N-(L-aspartyl)-sulfamoyl)uridine
Descriptor: 5'-O-(N-(L-aspartyl)-sulfamoyl)uridine, Aspartate--tRNA(Asp) ligase
Authors:De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D.
Deposit date:2018-08-29
Release date:2019-12-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6Q6Z
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BU of 6q6z by Molmil
Structure of the plant immune signaling node EDS1 (enhanced disease susceptibility 1) in complex with nanobody ENB21
Descriptor: EDS1-SPECIFIC NANOBODY, Protein EDS1L
Authors:Niefind, K, Voss, M, Toelzer, C.
Deposit date:2018-12-12
Release date:2019-10-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.476 Å)
Cite:Arabidopsis immunity regulator EDS1 in a PAD4/SAG101-unbound form is a monomer with an inherently inactive conformation.
J.Struct.Biol., 208, 2019
1KZ6
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BU of 1kz6 by Molmil
Mutant enzyme W63Y/L119F Lumazine Synthase from S.pombe
Descriptor: 6,7-Dimethyl-8-ribityllumazine Synthase, PHOSPHATE ION
Authors:Gerhardt, S, Haase, I, Steinbacher, S, Kaiser, J.T, Cushman, M, Bacher, A, Huber, R, Fischer, M.
Deposit date:2002-02-06
Release date:2002-07-24
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The structural basis of riboflavin binding to Schizosaccharomyces pombe 6,7-dimethyl-8-ribityllumazine synthase.
J.Mol.Biol., 318, 2002
6HOF
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BU of 6hof by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44852
Descriptor: 4-[2-(phenylsulfonylaminomethyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
7M1H
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BU of 7m1h by Molmil
Crystal structure of LC/A-JPU-C10-JPU-D12-JPU-B8-JPU-G3-ciA-F12-ciA-D12
Descriptor: Botulinum neurotoxin A light chain, JPU-B8, JPU-C10, ...
Authors:Lam, K, Jin, R.
Deposit date:2021-03-13
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Probing the structure and function of the protease domain of botulinum neurotoxins using single-domain antibodies.
Plos Pathog., 18, 2022
2ODE
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BU of 2ode by Molmil
Crystal structure of the heterodimeric complex of human RGS8 and activated Gi alpha 3
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(k) subunit alpha, MAGNESIUM ION, ...
Authors:Gileadi, C, Soundararajan, M, Turnbull, A.P, Elkins, J.M, Papagrigoriou, E, Pike, A.C.W, Bunkoczi, G, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-12-22
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
6HO0
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BU of 6ho0 by Molmil
TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41325
Descriptor: 4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one, HTH-type transcriptional regulator EthR
Authors:Wintjens, R, Wohlkonig, A.
Deposit date:2018-09-17
Release date:2018-12-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
6S4Q
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BU of 6s4q by Molmil
scdSav(SASK) - Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes
Descriptor: GLYCEROL, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
Authors:Rebelein, J.G.
Deposit date:2019-06-28
Release date:2019-09-25
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Breaking Symmetry: Engineering Single-Chain Dimeric Streptavidin as Host for Artificial Metalloenzymes.
J.Am.Chem.Soc., 141, 2019

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PDB entries from 2024-09-18

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