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6PC8
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BU of 6pc8 by Molmil
E. coli 50S ribosome bound to compound 40q
Descriptor: (2R)-2-[(3S,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-1,7,16,22-tetraoxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
Deposit date:2019-06-16
Release date:2020-06-17
Last modified:2020-10-07
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
4WIP
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BU of 4wip by Molmil
DIX domain of human Dvl2
Descriptor: PENTAETHYLENE GLYCOL, Segment polarity protein dishevelled homolog DVL-2
Authors:Fiedler, M, Bienz, M, Madrzak, J, Chin, J.W.
Deposit date:2014-09-26
Release date:2015-05-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.691 Å)
Cite:Ubiquitination of the Dishevelled DIX domain blocks its head-to-tail polymerization.
Nat Commun, 6, 2015
6PV9
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BU of 6pv9 by Molmil
Human PD-L1 bound to a macrocyclic peptide which blocks the PD-1/PD-L1 interaction
Descriptor: Programmed cell death 1 ligand 1, macrocyclic peptide
Authors:Appleby, T.C, Lad, L, Gross, M.L.
Deposit date:2019-07-19
Release date:2020-01-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Protein Footprinting and X-ray Crystallography Reveal the Interaction of PD-L1 and a Macrocyclic Peptide.
Biochemistry, 59, 2020
6WYV
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BU of 6wyv by Molmil
E. coli 50S ribosome bound to compounds 47 and VS1
Descriptor: (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B.
Deposit date:2020-05-13
Release date:2020-06-17
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6X3C
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BU of 6x3c by Molmil
Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F1037 (47)
Descriptor: (3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Chaires, H.A, Fraser, J.S.
Deposit date:2020-05-21
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
6JQH
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BU of 6jqh by Molmil
Crystal structure of MaDA
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, MaDA
Authors:Du, X.X, Lei, X.G.
Deposit date:2019-03-31
Release date:2020-04-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:FAD-dependent enzyme-catalysed intermolecular [4+2] cycloaddition in natural product biosynthesis.
Nat.Chem., 12, 2020
6X3J
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BU of 6x3j by Molmil
Crystal structure of streptogramin A acetyltransferase VatA from Staphylococcus aureus in complex with streptogramin analog F0224 (46)
Descriptor: (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-4,12-dimethyl-1,7,22-trioxo-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Chaires, H.A, Fraser, J.S.
Deposit date:2020-05-21
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
4X3V
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BU of 4x3v by Molmil
Crystal structure of human ribonucleotide reductase 1 bound to inhibitor
Descriptor: N~6~-{N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2-methyl-D-alanyl}-D-lysine, Ribonucleoside-diphosphate reductase large subunit, THYMIDINE-5'-TRIPHOSPHATE
Authors:Dealwis, C.G, Ahmad, M.F, Alam, I.
Deposit date:2014-12-01
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Identification of Non-nucleoside Human Ribonucleotide Reductase Modulators.
J.Med.Chem., 58, 2015
8AOK
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BU of 8aok by Molmil
Complex of PD-L1 with VHH6
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Kang-Pettinger, T, Hall, G.
Deposit date:2022-08-08
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification, binding, and structural characterization of single domain anti-PD-L1 antibodies inhibitory of immune regulatory proteins PD-1 and CD80.
J.Biol.Chem., 299, 2023
8AOM
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BU of 8aom by Molmil
Complex of PD-L1 with VHH1
Descriptor: MAGNESIUM ION, Programmed cell death 1 ligand 1, VHH6
Authors:Kang-Pettinger, T, Hall, G.
Deposit date:2022-08-08
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Identification, binding, and structural characterization of single domain anti-PD-L1 antibodies inhibitory of immune regulatory proteins PD-1 and CD80.
J.Biol.Chem., 299, 2023
5Z0S
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BU of 5z0s by Molmil
Crystal structure of FGFR1 kinase domain in complex with a novel inhibitor
Descriptor: 1-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)sulfonyl]-6-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine, Fibroblast growth factor receptor 1
Authors:Liu, Q, Xu, Y.
Deposit date:2017-12-20
Release date:2018-12-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-Based Discovery of a Series of 5H-Pyrrolo[2,3-b]pyrazine FGFR Kinase Inhibitors
Molecules, 23, 2018
8R64
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BU of 8r64 by Molmil
Cryo-EM structure of the FIGNL1 AAA hexamer bound to RAD51
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, DNA repair protein RAD51 homolog 1, ...
Authors:Carver, A, Yates, L.A, Zhang, X.
Deposit date:2023-11-20
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Molecular basis of FIGNL1 in dissociating RAD51 from DNA and chromatin.
Biorxiv, 2024
5YQX
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BU of 5yqx by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
Authors:Xue, X, Zhang, Y, Wang, C, Song, M.
Deposit date:2017-11-08
Release date:2018-11-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer.
Eur.J.Med.Chem., 152, 2018
5Y3A
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BU of 5y3a by Molmil
Crystal structure of Ragulator complex (p18 49-161)
Descriptor: Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, Ragulator complex protein LAMTOR3, ...
Authors:Zhang, T, Ding, J.
Deposit date:2017-07-28
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for Ragulator functioning as a scaffold in membrane-anchoring of Rag GTPases and mTORC1.
Nat Commun, 8, 2017
8ZSZ
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BU of 8zsz by Molmil
Cryo-EM structure of human ZnT1, in the presence of zinc, determined in outward-facing conformation
Descriptor: Proton-coupled zinc antiporter SLC30A1, ZINC ION
Authors:Ma, J, Zheng, S.
Deposit date:2024-06-06
Release date:2024-08-21
Last modified:2024-09-18
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Zinc transporter 1 functions in copper uptake and cuproptosis.
Cell Metab., 36, 2024
8YBQ
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BU of 8ybq by Molmil
Choline transporter BetT - CHT bound
Descriptor: BCCT family transporter, CHOLINE ION
Authors:Yang, T.J, Nian, Y.W, Lin, H.J, Li, J, Zhang, J.R, Fan, M.R.
Deposit date:2024-02-16
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Structure and mechanism of the osmoregulated choline transporter BetT.
Sci Adv, 10, 2024
8IKX
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BU of 8ikx by Molmil
An Arabidopsis polygalacturonase PGLR
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Pectin lyase-like superfamily protein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Xiao, Y, Chai, J.
Deposit date:2023-03-01
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A plant mechanism of hijacking pathogen virulence factors to trigger innate immunity.
Science, 383, 2024
8IKW
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BU of 8ikw by Molmil
A complex structure of PGIP-PG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Endo-polygalacturonase, ...
Authors:Xiao, Y, Chai, J.
Deposit date:2023-03-01
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:A plant mechanism of hijacking pathogen virulence factors to trigger innate immunity.
Science, 383, 2024
8YBR
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BU of 8ybr by Molmil
Choline transporter BetT
Descriptor: BCCT family transporter
Authors:Yang, T.J, Nian, Y.W, Lin, H.J, Li, J, Zhang, J.R, Fan, M.R.
Deposit date:2024-02-16
Release date:2024-09-04
Method:ELECTRON MICROSCOPY (2.57 Å)
Cite:Structure and mechanism of the osmoregulated choline transporter BetT.
Sci Adv, 10, 2024
3V5J
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BU of 3v5j by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 090
Descriptor: 3-[4-(2-morpholin-4-ylethoxy)-2-(1~{H}-thieno[3,2-c]pyrazol-3-yl)-1~{H}-indol-6-yl]pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2011-12-16
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
8X83
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BU of 8x83 by Molmil
The cryo-EM structure of insect gustatory receptor Gr43a I418A from Drosophila melanogaster in complex with fructose
Descriptor: Gustatory receptor for sugar taste 43a, SODIUM ION, beta-D-fructofuranose
Authors:Ma, D, Guo, J.
Deposit date:2023-11-27
Release date:2024-02-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for sugar perception by Drosophila gustatory receptors.
Science, 383, 2024
8X82
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BU of 8x82 by Molmil
The cryo-EM structure of insect gustatory receptor Gr43a I418A from Drosophila melanogaster
Descriptor: Gustatory receptor for sugar taste 43a
Authors:Ma, D, Guo, J.
Deposit date:2023-11-27
Release date:2024-02-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for sugar perception by Drosophila gustatory receptors.
Science, 383, 2024
8X84
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BU of 8x84 by Molmil
The cryo-EM structure of insect gustatory receptor Gr43a I418A from Drosophila melanogaster in complex with fructose and calcium
Descriptor: CALCIUM ION, Gustatory receptor for sugar taste 43a, beta-D-fructofuranose
Authors:Ma, D, Guo, J.
Deposit date:2023-11-27
Release date:2024-02-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis for sugar perception by Drosophila gustatory receptors.
Science, 383, 2024
3V8T
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BU of 3v8t by Molmil
Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 477
Descriptor: 3-{2-[5-(difluoromethyl)-2H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}pentan-3-ol, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:McLean, L.R, Zhang, Y.
Deposit date:2011-12-23
Release date:2012-05-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
Bioorg.Med.Chem.Lett., 22, 2012
5Y38
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BU of 5y38 by Molmil
Crystal structure of C7orf59-HBXIP complex
Descriptor: Ragulator complex protein LAMTOR4, Ragulator complex protein LAMTOR5, SULFATE ION
Authors:Zhang, T, Ding, J.
Deposit date:2017-07-28
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for Ragulator functioning as a scaffold in membrane-anchoring of Rag GTPases and mTORC1
Nat Commun, 8, 2017

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