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8W7M
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BU of 8w7m by Molmil
Yeast replisome in state V
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, DNA (71-mer), ...
Authors:Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z.
Deposit date:2023-08-30
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (4.12 Å)
Cite:Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
8W7S
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BU of 8w7s by Molmil
Yeast replisome in state IV
Descriptor: Cell division control protein 45, DNA (71-mer), DNA polymerase alpha-binding protein, ...
Authors:Dang, S, Zhai, Y, Feng, J, Yu, D.
Deposit date:2023-08-31
Release date:2023-12-20
Method:ELECTRON MICROSCOPY (7.39 Å)
Cite:Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
8KG8
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BU of 8kg8 by Molmil
Yeast replisome in state II
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, DNA (61-mer), ...
Authors:Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z.
Deposit date:2023-08-17
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (4.23 Å)
Cite:Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
8KG6
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BU of 8kg6 by Molmil
Yeast replisome in state I
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, Chromosome segregation in meiosis protein 3, ...
Authors:Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z.
Deposit date:2023-08-17
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
8KG9
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BU of 8kg9 by Molmil
Yeast replisome in state III
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, DNA (61-mer), ...
Authors:Dang, S, Zhai, Y, Feng, J, Yu, D, Xu, Z.
Deposit date:2023-08-17
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (4.52 Å)
Cite:Synergism between CMG helicase and leading strand DNA polymerase at replication fork.
Nat Commun, 14, 2023
8Y9F
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BU of 8y9f by Molmil
ATAT-2 bound MEC-12/MEC-7 microtubule
Descriptor: Alpha-tubulin N-acetyltransferase 2, GUANOSINE-5'-TRIPHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Lam, W.H, Yu, D, Zhai, Y, Ti, S.
Deposit date:2024-02-06
Release date:2024-11-06
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Tubulin acetyltransferases access and modify the microtubule luminal K40 residue through anchors in taxane-binding pockets.
Nat.Struct.Mol.Biol., 2024
8YAJ
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BU of 8yaj by Molmil
ATAT-2 bound MEC-12/MEC-7 microtubule without acetyl-CoA
Descriptor: Alpha-tubulin N-acetyltransferase 2, GUANOSINE-5'-TRIPHOSPHATE, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, ...
Authors:Lam, W.H, Yu, D, Zhai, Y, Ti, S.
Deposit date:2024-02-09
Release date:2024-11-06
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Tubulin acetyltransferases access and modify the microtubule luminal K40 residue through anchors in taxane-binding pockets.
Nat.Struct.Mol.Biol., 2024
8YAR
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BU of 8yar by Molmil
ATAT-2 bound K40R MEC-12/MEC-7 microtubule
Descriptor: ACETYL COENZYME *A, Alpha-tubulin N-acetyltransferase 2, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Lam, W.H, Yu, D, Zhai, Y, Ti, S.
Deposit date:2024-02-09
Release date:2024-11-06
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Tubulin acetyltransferases access and modify the microtubule luminal K40 residue through anchors in taxane-binding pockets.
Nat.Struct.Mol.Biol., 2024
8YAL
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BU of 8yal by Molmil
ATAT-2 bound K40Q MEC-12/MEC-7 microtubule
Descriptor: ACETYL COENZYME *A, Alpha-tubulin N-acetyltransferase 2, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Lam, W.H, Yu, D, Zhai, Y, Ti, S.
Deposit date:2024-02-09
Release date:2024-11-06
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Tubulin acetyltransferases access and modify the microtubule luminal K40 residue through anchors in taxane-binding pockets.
Nat.Struct.Mol.Biol., 2024
8XGC
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BU of 8xgc by Molmil
Structure of yeast replisome associated with FACT and histone hexamer, Composite map
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Cell division control protein 45, Chromosome segregation in meiosis protein 3, ...
Authors:Li, N, Gao, Y, Yu, D, Gao, N, Zhai, Y.
Deposit date:2023-12-15
Release date:2024-02-14
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Parental histone transfer caught at the replication fork.
Nature, 627, 2024
8GPN
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BU of 8gpn by Molmil
Human menin in complex with H3K79Me2 nucleosome
Descriptor: DNA (177-MER), Histone H2A type 1, Histone H2B 1.1, ...
Authors:Lin, J, Yu, D, Lam, W.H, Dang, S, Zhai, Y, Li, X.D.
Deposit date:2022-08-26
Release date:2023-02-15
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Menin "reads" H3K79me2 mark in a nucleosomal context.
Science, 379, 2023
6LK0
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BU of 6lk0 by Molmil
Crystal structure of human wild type TRIP13
Descriptor: Pachytene checkpoint protein 2 homolog
Authors:Wang, Y, Huang, J, Li, B, Xue, H, Tricot, G, Hu, L, Xu, Z, Sun, X, Chang, S, Gao, L, Tao, Y, Xu, H, Xie, Y, Xiao, W, Yu, D, Kong, Y, Chen, G, Sun, X, Lian, F, Zhang, N, Wu, X, Mao, Z, Zhan, F, Zhu, W, Shi, J.
Deposit date:2019-12-17
Release date:2020-01-22
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Small-Molecule Inhibitor Targeting TRIP13 Suppresses Multiple Myeloma Progression.
Cancer Res., 80, 2020
6KTS
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BU of 6kts by Molmil
Structure of C34N126K/N36
Descriptor: Envelope glycoprotein, Glycoprotein 41
Authors:Yu, D.W, Qin, B.
Deposit date:2019-08-28
Release date:2020-09-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and Functional Characterization of the Secondary Mutation N126K Selected by Various HIV-1 Fusion Inhibitors.
Viruses, 12, 2020
7L4X
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BU of 7l4x by Molmil
YTH Domain of Human YTHDC1 with dsDNA Comprising Single N6mA joined by two six-bp DNA duplexes in P3221 Crystal
Descriptor: 1,2-ETHANEDIOL, YTH domain-containing protein 1, ssDNA w/N6A
Authors:Horton, J.R, Cheng, X.
Deposit date:2020-12-21
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Human MettL3-MettL14 RNA adenine methyltransferase complex is active on double-stranded DNA containing lesions.
Nucleic Acids Res., 49, 2021
7L4Y
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BU of 7l4y by Molmil
YTH Domain of Human YTHDC1 with dsDNA Comprising Single N6mA joined by Two Six-bp DNA Duplexes in P212121 Crystal
Descriptor: 1,2-ETHANEDIOL, YTH domain-containing protein 1, ssDNA 13mer
Authors:Horton, J.R, Cheng, X.
Deposit date:2020-12-21
Release date:2021-11-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Human MettL3-MettL14 RNA adenine methyltransferase complex is active on double-stranded DNA containing lesions.
Nucleic Acids Res., 49, 2021
2YEX
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BU of 2yex by Molmil
Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors
Descriptor: 5-METHYL-8-(1H-PYRROL-2-YL)[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A.
Deposit date:2011-03-31
Release date:2012-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
2YER
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BU of 2yer by Molmil
Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors
Descriptor: 1,2-ETHANEDIOL, 5-(HYDROXYMETHYL)-8-(1H-PYRROL-2-YL)-2H-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Vallentine, A, White, A, Otterbein, L.
Deposit date:2011-03-30
Release date:2012-03-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Synthesis and Evaluation of Triazolones as Checkpoint Kinase 1 Inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
4ERF
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BU of 4erf by Molmil
crystal structure of MDM2 (17-111) in complex with compound 29 (AM-8553)
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S,3S)-2-hydroxypentan-3-yl]-3-methyl-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2012-04-20
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of novel inhibitors of the MDM2-p53 interaction.
J.Med.Chem., 55, 2012
2YDK
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BU of 2ydk by Molmil
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
Descriptor: 2-(CARBAMOYLAMINO)-5-PHENYL-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-3-CARBOXAMIDE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
Deposit date:2011-03-22
Release date:2012-04-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2YDI
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BU of 2ydi by Molmil
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
Descriptor: 5-[4-(2-DIMETHYLAMINOETHYLOXY)PHENYL]-2-UREIDO-THIOPHENE-3-CARBOXAMIDE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
Deposit date:2011-03-21
Release date:2012-04-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2YDJ
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BU of 2ydj by Molmil
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
Descriptor: 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE CHK1
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
Deposit date:2011-03-22
Release date:2012-01-25
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
2X8E
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BU of 2x8e by Molmil
Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration
Descriptor: 5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
Deposit date:2010-03-09
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
2X8D
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BU of 2x8d by Molmil
Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration
Descriptor: 5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE, SERINE/THREONINE-PROTEIN KINASE CHK1, SULFATE ION
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
Deposit date:2010-03-08
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
2X8I
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BU of 2x8i by Molmil
Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration
Descriptor: 7-(3-hydroxyphenyl)-5-methyl[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Otterbein, L, Vallentine, A, White, A.
Deposit date:2010-03-09
Release date:2010-08-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Discovery of a Novel Class of Triazolones as Checkpoint Kinase Inhibitors-Hit to Lead Exploration.
Bioorg.Med.Chem., 20, 2010
7RE9
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BU of 7re9 by Molmil
TCR mimic antibody (Fab fragment)
Descriptor: DI(HYDROXYETHYL)ETHER, Fab heavy chain, Fab light chain
Authors:Dasgupta, M, Baker, B.M.
Deposit date:2021-07-12
Release date:2022-07-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Validation and promise of a TCR mimic antibody for cancer immunotherapy of hepatocellular carcinoma.
Sci Rep, 12, 2022

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