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7VSK
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BU of 7vsk by Molmil
Crystal structure of E.coli pseudouridine kinase PsuK complexed with pseudouridine.
Descriptor: 5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione, PfkB domain protein
Authors:Li, K.J, Li, X.J, Wu, B.X.
Deposit date:2021-10-26
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structure Characterization of Escherichia coli Pseudouridine Kinase PsuK.
Front Microbiol, 13, 2022
7VKP
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BU of 7vkp by Molmil
Crystal structure of E.coli pseudouridine kinase PsuK
Descriptor: PfkB domain protein
Authors:Li, K.J, Li, X.J, Wu, B.X.
Deposit date:2021-09-30
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure Characterization of Escherichia coli Pseudouridine Kinase PsuK.
Front Microbiol, 13, 2022
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
Authors:Hong, Y, Feng, Y.C, Liu, Y.
Deposit date:2020-07-02
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
8GYD
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BU of 8gyd by Molmil
Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16
Descriptor: (2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid, ETHANOL, Glutathione S-transferase class-mu 26 kDa isozyme
Authors:Wen, X, Jin, R, Hu, H, Zhu, J, Song, W, Lu, X.
Deposit date:2022-09-22
Release date:2023-08-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1 H )-one Focused DNA-Encoded Library.
J.Med.Chem., 66, 2023
8FIW
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BU of 8fiw by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10221
Descriptor: 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide, N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2022-12-16
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
8FIV
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BU of 8fiv by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun10541R
Descriptor: (3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide, 3C-like proteinase nsp5
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2022-12-16
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Exploring diverse reactive warheads for the design of SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 259, 2023
7W93
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BU of 7w93 by Molmil
Crystal structure of E.coli pseudouridine kinase PsuK complexed with N1-methyl-pseudouridine
Descriptor: 5-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione, POTASSIUM ION, PfkB domain protein
Authors:Li, K.J, Li, X.J, Wu, B.X.
Deposit date:2021-12-09
Release date:2022-06-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure Characterization of Escherichia coli Pseudouridine Kinase PsuK.
Front Microbiol, 13, 2022
6XT7
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BU of 6xt7 by Molmil
Tel25 Hybrid Four-quartet G-quadruplex with K+
Descriptor: DNA (25-MER), MAGNESIUM ION, POTASSIUM ION, ...
Authors:Yatsunyk, L.A, McCarthy, S.E.
Deposit date:2020-07-17
Release date:2020-12-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:The first crystal structures of hybrid and parallel four-tetrad intramolecular G-quadruplexes.
Nucleic Acids Res., 50, 2022
7WQX
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BU of 7wqx by Molmil
Structure of Inactive-EP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7WQW
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BU of 7wqw by Molmil
Structure of Active-EP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7WR7
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BU of 7wr7 by Molmil
Structure of Inhibited-EP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-carbamimidamidobenzoic acid, Enteropeptidase catalytic light chain, ...
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7WQZ
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BU of 7wqz by Molmil
Structure of Active-mutEP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Enteropeptidase catalytic light chain, Enteropeptidase non-catalytic heavy chain
Authors:Yang, X.L, Ding, Z.Y, Huang, H.J.
Deposit date:2022-01-26
Release date:2022-10-26
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structures reveal the activation and substrate recognition mechanism of human enteropeptidase.
Nat Commun, 13, 2022
7VVW
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BU of 7vvw by Molmil
MmtN-SAM complex
Descriptor: GLYCEROL, PHOSPHATE ION, S-ADENOSYLMETHIONINE, ...
Authors:Zhang, Y.Z, Peng, M, Li, C.Y.
Deposit date:2021-11-09
Release date:2022-04-20
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Insights into methionine S-methylation in diverse organisms.
Nat Commun, 13, 2022
7VVX
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BU of 7vvx by Molmil
MmtN-SAH-Met complex
Descriptor: METHIONINE, PHOSPHATE ION, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Zhang, Y.Z, Peng, M, Li, C.Y.
Deposit date:2021-11-09
Release date:2022-04-20
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Insights into methionine S-methylation in diverse organisms.
Nat Commun, 13, 2022
7VVV
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BU of 7vvv by Molmil
Crystal structure of MmtN
Descriptor: PHOSPHATE ION, SAM-dependent methyltransferase
Authors:Peng, M, Li, C.Y.
Deposit date:2021-11-09
Release date:2022-04-20
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Insights into methionine S-methylation in diverse organisms.
Nat Commun, 13, 2022
8JEL
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BU of 8jel by Molmil
Crystal structure of TIGIT in complexed with Ociperlimab, crystal form I
Descriptor: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEO
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BU of 8jeo by Molmil
Crystal structure of TIGIT in complexed with Tiragolumab
Descriptor: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEQ
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BU of 8jeq by Molmil
Crystal structure of Tiragolumab
Descriptor: antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEN
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BU of 8jen by Molmil
Crystal structure of TIGIT in complexed with Ociperlimab, crystal form II
Descriptor: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEP
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BU of 8jep by Molmil
Crystal structure of Ociperlimab
Descriptor: antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
7D3M
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BU of 7d3m by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY R50
Descriptor: O/TIBET/99 VP1, O/TIBET/99 VP2, O/TIBET/99 VP3, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-19
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.94 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7D3K
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BU of 7d3k by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY B77
Descriptor: B77 VH, B77 VL, O/TIBET/99 VP1, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-19
Release date:2021-04-14
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7D3R
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BU of 7d3r by Molmil
FOOT AND MOUTH DISEASE VIRUS A/WH/CHA/09-BOUND THE SINGLE CHAIN FRAGME ANTIBODY R50
Descriptor: A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-20
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7D3L
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BU of 7d3l by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY F145
Descriptor: F145 VH, F145 VL, O/TIBET/99 VP1, ...
Authors:He, Y, Lou, Z.
Deposit date:2020-09-19
Release date:2021-04-14
Last modified:2021-05-12
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
6A8R
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BU of 6a8r by Molmil
Crystal structure of DUX4 HD2 domain associated with ERG DNA binding site
Descriptor: DNA (5'-D(P*AP*AP*TP*CP*TP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*TP*GP*AP*TP*GP*AP*GP*AP*TP*T)-3'), Double homeobox protein 4
Authors:Dong, X, Zhang, H, Cheng, N, Meng, G.
Deposit date:2018-07-10
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:DUX4HD2-DNAERGstructure reveals new insight into DUX4-Responsive-Element.
Leukemia, 33, 2019

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PDB entries from 2024-06-12

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