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8PO1
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BU of 8po1 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R]
Descriptor: 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PO4
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BU of 8po4 by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 33 bound to EGFR[V948R]
Descriptor: 1-cyclopropyl-~{N}-[3-[1-(1-propanoylazetidin-3-yl)-4-pyridin-4-yl-pyrazol-3-yl]phenyl]imidazole-4-carboxamide, ADENOSINE-5'-TRIPHOSPHATE, Epidermal growth factor receptor, ...
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.621 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
8PNZ
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BU of 8pnz by Molmil
Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 16 bound to EGFR
Descriptor: 1-[(3~{S})-3-[4-(6,7-dimethoxyquinazolin-4-yl)-3-(3-methoxyphenyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-1-one, Epidermal growth factor receptor
Authors:Hargreaves, D.
Deposit date:2023-07-03
Release date:2024-06-05
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations.
J.Med.Chem., 67, 2024
7FAT
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BU of 7fat by Molmil
Structure Determination of the RBD-NB1A7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, nb_1A7
Authors:Geng, Y, Shi, Z.Z, Li, X.Y, Wang, L, Sun, Z.C, Zhang, H.W, Chen, X.C.
Deposit date:2021-07-07
Release date:2022-05-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural basis of nanobodies neutralizing SARS-CoV-2 variants
Structure, 30, 2022
7FAU
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BU of 7fau by Molmil
Structure Determination of the NB1B11-RBD Complex
Descriptor: NB_1B11, Spike protein S1, ZINC ION
Authors:Shi, Z.Z, Li, X.X, Wang, L, Sun, Z.C, Zhang, H.W, Chen, X.C, Cui, Q.Q, Qiao, H.R, Lan, Z.Y, Zhang, X.
Deposit date:2021-07-07
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural basis of nanobodies neutralizing SARS-CoV-2 variants.
Structure, 30, 2022
5V7U
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BU of 5v7u by Molmil
Cyrstal structure of anti-Tau antibody CBTAU-22.1 Fab
Descriptor: CBTAU-22.1 Fab heavy chain, CBTAU-22.1 Fab light chain, SULFATE ION
Authors:Zhu, X, Zhang, H, Wilson, I.A.
Deposit date:2017-03-20
Release date:2017-04-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Immunological memory to hyperphosphorylated tau in asymptomatic individuals.
Acta Neuropathol., 133, 2017
2XUU
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BU of 2xuu by Molmil
Crystal structure of a DAP-kinase 1 mutant
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DEATH-ASSOCIATED PROTEIN KINASE 1, MAGNESIUM ION, ...
Authors:de Diego, I, Kuper, J, Lehmann, F, Wilmanns, M.
Deposit date:2010-10-21
Release date:2011-11-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A Pef/Y Substrate Recognition and Signature Motif Plays a Critical Role in Dapk-Related Kinase Activity.
Chem.Biol., 21, 2014
6ADQ
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BU of 6adq by Molmil
Respiratory Complex CIII2CIV2SOD2 from Mycobacterium smegmatis
Descriptor: (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate, (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate, ...
Authors:Gong, H.R, Xu, A, Gao, R.G, Ji, W.X, Wang, S.H, Wang, Q, Li, J, Rao, Z.H.
Deposit date:2018-08-01
Release date:2018-11-14
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:An electron transfer path connects subunits of a mycobacterial respiratory supercomplex.
Science, 362, 2018
5ZXK
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BU of 5zxk by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1
Authors:Yang, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H.
Deposit date:2018-05-21
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
5X8F
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BU of 5x8f by Molmil
Ternary complex structure of a double mutant I454RA456K of o-Succinylbenzoate CoA Synthetase (MenE) from Bacillus Subtilis bound with AMP and its product analogue OSB-NCoA at 1.76 angstrom
Descriptor: 2-succinylbenzoate--CoA ligase, ADENOSINE MONOPHOSPHATE, CALCIUM ION, ...
Authors:Chen, Y, Guo, Z.
Deposit date:2017-03-02
Release date:2017-06-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode
J. Biol. Chem., 292, 2017
8AVU
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BU of 8avu by Molmil
Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the dimeric state
Descriptor: 1,2-ETHANEDIOL, Bacteriocin aureocin A53, D-Aureocin A53, ...
Authors:Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P.
Deposit date:2022-08-26
Release date:2023-07-26
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
8AVT
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BU of 8avt by Molmil
Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the presence of glycerol 3-phosphate
Descriptor: 1,2-ETHANEDIOL, Bacteriocin aureocin A53, D-Aureocin A53, ...
Authors:Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P.
Deposit date:2022-08-26
Release date:2023-07-26
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
8AVR
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BU of 8avr by Molmil
Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the presence of sulfate
Descriptor: 1,2-ETHANEDIOL, Bacteriocin aureocin A53, D-Aureocin A53, ...
Authors:Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P.
Deposit date:2022-08-26
Release date:2023-07-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
8AVS
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BU of 8avs by Molmil
Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the presence of citrate and acetate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Bacteriocin aureocin A53, ...
Authors:Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P.
Deposit date:2022-08-26
Release date:2023-07-26
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
2QTF
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BU of 2qtf by Molmil
Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus
Descriptor: ACETATE ION, CADMIUM ION, GTP-binding protein, ...
Authors:Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J.
Deposit date:2007-08-02
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
2QTH
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BU of 2qth by Molmil
Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus in complex with GDP
Descriptor: ACETATE ION, CADMIUM ION, GTP-binding protein, ...
Authors:Wu, H, Sun, L, Brouns, S.J, Fu, S, Rao, Z, Van der Oost, J.
Deposit date:2007-08-02
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a GTP-binding protein from the hyperthermophilic archaeon Sulfolobus solfataricus.
To be Published
5YR0
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BU of 5yr0 by Molmil
Structure of Beclin1-UVRAG coiled coil domain complex
Descriptor: Beclin-1, UV radiation resistance associated protein
Authors:Pan, X, Zhao, Y, He, Y.
Deposit date:2017-11-08
Release date:2018-06-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Targeting the potent Beclin 1-UVRAG coiled-coil interaction with designed peptides enhances autophagy and endolysosomal trafficking.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8H2T
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BU of 8h2t by Molmil
Cryo-EM structure of IadD/E dioxygenase bound with IAA
Descriptor: 1H-INDOL-3-YLACETIC ACID, Aromatic-ring-hydroxylating dioxygenase beta subunit, FE (III) ION, ...
Authors:Yu, G, Li, Z, Zhang, H.
Deposit date:2022-10-07
Release date:2023-06-14
Last modified:2024-01-03
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Structural and biochemical characterization of the key components of an auxin degradation operon from the rhizosphere bacterium Variovorax.
Plos Biol., 21, 2023
7SFR
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BU of 7sfr by Molmil
Unmethylated Mtb Ribosome 50S with SEQ-9
Descriptor: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
Authors:Xing, Z, Cui, Z, Zhang, J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2021-10-04
Release date:2022-10-12
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Discovery of natural-product-derived sequanamycins as potent oral anti-tuberculosis agents.
Cell, 186, 2023
4N0N
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BU of 4n0n by Molmil
Crystal structure of Arterivirus nonstructural protein 10 (helicase)
Descriptor: MAGNESIUM ION, Replicase polyprotein 1ab, SULFATE ION, ...
Authors:Deng, Z, Chen, Z.
Deposit date:2013-10-02
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the regulatory function of a complex zinc-binding domain in a replicative arterivirus helicase resembling a nonsense-mediated mRNA decay helicase.
Nucleic Acids Res., 42, 2014
2W20
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BU of 2w20 by Molmil
Structure of the catalytic domain of the native NanA sialidase from Streptococcus pneumoniae
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Xu, G, Andrew, P.W, Taylor, G.L.
Deposit date:2008-10-21
Release date:2008-12-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structure of the Catalytic Domain of Streptococcus Pneumoniae Sialidase Nana.
Acta Crystallogr.,Sect.F, 64, 2008
5HKP
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BU of 5hkp by Molmil
Crystal structure of mouse Tankyrase/human TRF1 complex
Descriptor: Tankyrase-1, Telomeric repeat-binding factor 1
Authors:Wang, Z, Li, B, Rao, Z, Xu, W.
Deposit date:2016-01-14
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a tankyrase 1-telomere repeat factor 1 complex.
Acta Crystallogr F Struct Biol Commun, 72, 2016
4N0O
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BU of 4n0o by Molmil
Complex structure of Arterivirus nonstructural protein 10 (helicase) with DNA
Descriptor: CALCIUM ION, DNA, Replicase polyprotein 1ab, ...
Authors:Deng, Z, Chen, Z.
Deposit date:2013-10-02
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis for the regulatory function of a complex zinc-binding domain in a replicative arterivirus helicase resembling a nonsense-mediated mRNA decay helicase.
Nucleic Acids Res., 42, 2014
8CTO
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BU of 8cto by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.31 in d6-DMSO with cis/trans switching (B-CT conformation)
Descriptor: Cyclic peptide D8.31 DAL-DPR-MLU-DVA-DAL-DPR-MLU-DVA
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-16
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8CUN
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BU of 8cun by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-17
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022

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PDB entries from 2024-10-30

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