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9BJ1
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BU of 9bj1 by Molmil
Crystal structure of inhibitor GNE-6893 bound to HPK1
Descriptor: (4S,5R,7R,11aP)-10-{[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl}-N~3~-methyl-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, (9S)-2-{[(6P)-8-amino-6-(5-amino-4-methylpyridin-3-yl)-7-fluoroisoquinolin-3-yl]amino}-6-methyl-5,6-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7(8H)-one, 1,2-ETHANEDIOL, ...
Authors:Kiefer, J.R, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Choo, E.F, Heffron, T.P, Wei, B, Siu, M.
Deposit date:2024-04-24
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
9BI8
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BU of 9bi8 by Molmil
Crystal structure of inhibitor GNE-6893 bound to HPK1
Descriptor: (3R,4S)-4-methyloxolan-3-yl [(6P)-8-amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]carbamate, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase kinase kinase kinase 1, ...
Authors:Kiefer, J.R, Tellis, J.C, Chan, B.K, Wang, W, Wu, P, Choo, E.F, Heffron, T.P, Wei, B, Siu, M.
Deposit date:2024-04-22
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of GNE-6893, a Potent, Selective, Orally Bioavailable Small Molecule Inhibitor of HPK1.
Acs Med.Chem.Lett., 15, 2024
8JQ9
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BU of 8jq9 by Molmil
Structure of Gabija GajA
Descriptor: Endonuclease GajA
Authors:Li, J, Wang, Z, Wang, L.
Deposit date:2023-06-13
Release date:2024-02-28
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8JQC
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BU of 8jqc by Molmil
Structure of Gabija GajA-GajB 4:1 complex
Descriptor: Endonuclease GajA, Gabija protein GajB
Authors:Li, J, Wang, Z, Wang, L.
Deposit date:2023-06-13
Release date:2024-02-28
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.39 Å)
Cite:Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8JQB
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BU of 8jqb by Molmil
Structure of Gabija GajA-GajB 4:4 Complex
Descriptor: Endonuclease GajA, Gabija protein GajB
Authors:Li, J, Wang, Z, Wang, L.
Deposit date:2023-06-13
Release date:2024-02-28
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structures and activation mechanism of the Gabija anti-phage system.
Nature, 629, 2024
8EEC
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BU of 8eec by Molmil
Crystal structure of HPK1 citron-homology domain
Descriptor: Isoform 2 of Mitogen-activated protein kinase kinase kinase kinase 1, PHOSPHATE ION
Authors:Wu, P, Lehoux, I, Wang, W.
Deposit date:2022-09-06
Release date:2024-03-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:HPK1 citron homology domain regulates phosphorylation of SLP76 and modulates kinase domain interaction dynamics
Nat Commun, 15, 2024
7YT9
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BU of 7yt9 by Molmil
crystal structure of AGD1-4 of Arabidopsis AGDP3
Descriptor: AGD1-4 of Arabidopsis AGDP3
Authors:Zhou, X, Du, J.
Deposit date:2022-08-13
Release date:2022-10-12
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The H3K9me2-binding protein AGDP3 limits DNA methylation and transcriptional gene silencing in Arabidopsis.
J Integr Plant Biol, 64, 2022
7YTA
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BU of 7yta by Molmil
crystal structure of NtAGDP3 AGD1-2 in complex with an H3K9me2 peptide
Descriptor: AGDP3 AGD1-2, H3(1-15)K9me2 peptide
Authors:Zhou, X, Du, J.
Deposit date:2022-08-13
Release date:2022-10-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The H3K9me2-binding protein AGDP3 limits DNA methylation and transcriptional gene silencing in Arabidopsis.
J Integr Plant Biol, 64, 2022
7CH4
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BU of 7ch4 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-604 Fab
Descriptor: BD-604 Fab H, BD-604 Fab L, Spike protein S1
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CHC
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BU of 7chc by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 Fab and BD-368-2 Fab
Descriptor: BD-368-2 Fab H, BD-368-2 Fab L, BD-629 Fab H, ...
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CH5
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BU of 7ch5 by Molmil
Crystal structure of the SARS-CoV-2 S RBD in complex with BD-629 Fab
Descriptor: BD-629 Fab H, BD-629 Fab L, Spike protein S1
Authors:Du, S, Xiao, J.Y.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7EF1
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BU of 7ef1 by Molmil
crystal structure of maize SHH2 SAWADEE domain in complex with and H3K9me1 peptide
Descriptor: HB transcription factor, Histone H3.2, ZINC ION
Authors:Wang, Y, Du, J.
Deposit date:2021-03-20
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Recognition of H3K9me1 by maize RNA-directed DNA methylation factor SHH2.
J Integr Plant Biol, 63, 2021
7EF2
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BU of 7ef2 by Molmil
Crystal structure of maize SHH2 SAWADEE domain in complex with an H3K9me3 peptide
Descriptor: HB transcription factor, Histone H3.2, ZINC ION
Authors:Wang, Y, Du, J.
Deposit date:2021-03-20
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recognition of H3K9me1 by maize RNA-directed DNA methylation factor SHH2.
J Integr Plant Biol, 63, 2021
7EF3
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BU of 7ef3 by Molmil
crystal structure of maize SHH2 SAWADEE domain in complex with H3K9me2 peptide
Descriptor: HB transcription factor, Histone H3.2, ZINC ION
Authors:Wang, Y, Du, J.
Deposit date:2021-03-20
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Recognition of H3K9me1 by maize RNA-directed DNA methylation factor SHH2.
J Integr Plant Biol, 63, 2021
7EEZ
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BU of 7eez by Molmil
crystal structure of maize SHH2 SAWADEE domain
Descriptor: HB transcription factor, ZINC ION
Authors:Wang, Y, Du, J.
Deposit date:2021-03-20
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Recognition of H3K9me1 by maize RNA-directed DNA methylation factor SHH2.
J Integr Plant Biol, 63, 2021
7EF0
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BU of 7ef0 by Molmil
Crystal structure of maize SHH2 SAWADEE domain in complex with an H3K9M peptide
Descriptor: HB transcription factor, Histone H3.2, ZINC ION
Authors:Wang, Y, Du, J.
Deposit date:2021-03-20
Release date:2021-06-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Recognition of H3K9me1 by maize RNA-directed DNA methylation factor SHH2.
J Integr Plant Biol, 63, 2021
7CHF
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BU of 7chf by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with BD-604 Fab and BD-368-2 Fab
Descriptor: BD-368-2 Fab heavy chain, BD-368-2 Fab light chain, BD-604 Fab heavy chain, ...
Authors:Xiao, J, Zhu, Q.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.674 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CHH
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BU of 7chh by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with BD-368-2 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD-368-2 Fab heavy chain, ...
Authors:Xiao, J, Zhu, Q, Wang, G.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7CHE
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BU of 7che by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with BD-236 Fab and BD-368-2 Fab
Descriptor: BD-236 Fab heavy chain, BD-236 Fab light chain, BD-368-2 Fab heavy chain, ...
Authors:Xiao, J, Zhu, Q.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.416 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
7ZHI
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BU of 7zhi by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor indole
Descriptor: Aspartate carbamoyltransferase, INDOLE, SULFATE ION
Authors:Wang, C, Zhang, B.
Deposit date:2022-04-06
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.946 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZGS
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BU of 7zgs by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor 2-phenylethan-1-amine
Descriptor: 3-PHENYLPROPYLAMINE, Aspartate carbamoyltransferase, SODIUM ION, ...
Authors:Wang, C, Zhang, B.
Deposit date:2022-04-04
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZP2
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BU of 7zp2 by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-04
Descriptor: Aspartate carbamoyltransferase, SODIUM ION, SULFATE ION, ...
Authors:Wang, C, Zhang, B, Groves, M.R.
Deposit date:2022-04-26
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.292 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZST
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BU of 7zst by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with FLA-01
Descriptor: 2-azanyl-~{N}-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide, Aspartate carbamoyltransferase, GLYCEROL, ...
Authors:Wang, C, Zhang, B, Groves, M.R.
Deposit date:2022-05-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZEA
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BU of 7zea by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum with bound inhibitor O-benzylhydroxylamine
Descriptor: Aspartate carbamoyltransferase, O-benzylhydroxylamine, SODIUM ION, ...
Authors:Wang, C, Zhang, B.
Deposit date:2022-03-30
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.448 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022
7ZID
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BU of 7zid by Molmil
Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-14
Descriptor: Aspartate carbamoyltransferase, GLYCEROL, SULFATE ION, ...
Authors:Wang, C, Zhang, B.
Deposit date:2022-04-07
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials.
J.Am.Chem.Soc., 144, 2022

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数据于2024-11-06公开中

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