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8H59
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BU of 8h59 by Molmil
A fungal MAP kinase in complex with an inhibitor
Descriptor: Mitogen-activated protein kinase MPS1, ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide
Authors:Kong, Z, Zhang, X, Wang, D, Liu, J.
Deposit date:2022-10-12
Release date:2023-02-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure-Aided Identification of an Inhibitor Targets Mps1 for the Management of Plant-Pathogenic Fungi.
Mbio, 14, 2023
7RMW
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BU of 7rmw by Molmil
Crystal structure of B. subtilis PurR bound to ppGpp
Descriptor: GUANOSINE-5',3'-TETRAPHOSPHATE, Pur operon repressor
Authors:Schumacher, M.A.
Deposit date:2021-07-28
Release date:2021-12-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The nucleotide messenger (p)ppGpp is an anti-inducer of the purine synthesis transcription regulator PurR in Bacillus.
Nucleic Acids Res., 50, 2022
8IQH
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BU of 8iqh by Molmil
Structure of Full-Length AsfvPrimPol in Apo-Form
Descriptor: Putative primase C962R
Authors:Shao, Z.W, Su, S.C, Gan, J.H.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
8IQB
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BU of 8iqb by Molmil
Crystal structure of AsfvPrimPol N-terminal Prim/Pol domain
Descriptor: Putative primase C962R
Authors:Shao, Z.W, Gan, J.H.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
8IQD
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BU of 8iqd by Molmil
Crystal structure of AsfvPrimPol N-terminal Prim/Pol domain in complex with Mn2+ and dCTP
Descriptor: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, Putative primase C962R
Authors:Shao, Z.W, Gan, J.H.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
8IQC
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BU of 8iqc by Molmil
Crystal structure of AsfvPrimPol N-terminal Prim/Pol domain in complex with Mn2+
Descriptor: MANGANESE (II) ION, Putative primase C962R
Authors:Shao, Z.W, Gan, J.H.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
8IQI
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BU of 8iqi by Molmil
Structure of Full-Length AsfvPrimPol in Complex-Form
Descriptor: DNA (32-MER), MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Shao, Z.W, Su, S.C, Gan, J.H.
Deposit date:2023-03-16
Release date:2023-07-26
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Structures and implications of the C962R protein of African swine fever virus.
Nucleic Acids Res., 51, 2023
4ZHQ
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BU of 4zhq by Molmil
Crystal structure of Tubulin-Stathmin-TTL-MMAE Complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Zhang, R.
Deposit date:2015-04-26
Release date:2016-07-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
4ZI7
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BU of 4zi7 by Molmil
CRYSTAL STRUCTURE OF TUBULIN-STATHMIN-TTL-HTI286 COMPLEX
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ...
Authors:Wang, Y, Zhang, R.
Deposit date:2015-04-27
Release date:2016-07-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
4ZOL
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BU of 4zol by Molmil
Crystal Structure of Tubulin-Stathmin-TTL-Tubulysin M Complex
Descriptor: (2R,4R)-4-{[(2-{(1R,3R)-1-(acetyloxy)-4-methyl-3-[methyl(N-{[(2S)-1-methylpiperidin-2-yl]carbonyl}-D-isoleucyl)amino]pentyl}-1,3-thiazol-4-yl)carbonyl]amino}-2-methyl-5-phenylpentanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Wang, Y, Zhang, R.
Deposit date:2015-05-06
Release date:2016-07-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights into the Pharmacophore of Vinca Domain Inhibitors of Microtubules
Mol.Pharmacol., 89, 2016
4K7P
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BU of 4k7p by Molmil
Generation and Characterization of a Unique Reagent that Recognizes a Panel of Recombinant Human Monoclonal Antibody Therapeutics in the Presence of Endogenous Human IgG
Descriptor: antibody 10C4 Fab fragment heavy chain, antibody 10C4 Fab fragment light chain, antibody rhumAb6 Fab fragment heavy chain, ...
Authors:Eigenbrot, C, Shia, S.
Deposit date:2013-04-17
Release date:2013-08-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Generation and characterization of a unique reagent that recognizes a panel of recombinant human monoclonal antibody therapeutics in the presence of endogenous human IgG.
MAbs, 5, 2013
8F97
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BU of 8f97 by Molmil
Compound 5 bound to procaspase-6
Descriptor: 1,2-ETHANEDIOL, 2-({[(2M)-[2,3'-bipyridin]-2'-yl]amino}methyl)-5-fluorophenol, CHLORIDE ION, ...
Authors:Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
Deposit date:2022-11-23
Release date:2023-12-13
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F99
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BU of 8f99 by Molmil
Compound 10 bound to procaspase-6
Descriptor: 5-fluoro-2-({[(3M)-3-(1,3-oxazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
Authors:Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
Deposit date:2022-11-23
Release date:2023-12-13
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F9A
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BU of 8f9a by Molmil
Compound 11 bound to procaspase-6
Descriptor: 5-fluoro-2-({[(3M)-3-(1,2-oxazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
Authors:Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
Deposit date:2022-11-23
Release date:2023-12-13
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F9B
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BU of 8f9b by Molmil
Compound 19 bound to procaspase-6
Descriptor: 5-fluoro-2-({[(3M)-3-(1,2-thiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
Authors:Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
Deposit date:2022-11-23
Release date:2023-12-13
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F9C
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BU of 8f9c by Molmil
Compound 20 bound to procaspase-6
Descriptor: 5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
Authors:Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
Deposit date:2022-11-23
Release date:2023-12-13
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F9D
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BU of 8f9d by Molmil
Compound 21 bound to procaspase-6
Descriptor: 1,2-ETHANEDIOL, 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol, DI(HYDROXYETHYL)ETHER, ...
Authors:Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
Deposit date:2022-11-23
Release date:2023-12-13
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8FBV
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BU of 8fbv by Molmil
Compound 7 bound to procaspase-6
Descriptor: 5-fluoro-2-({[(3M)-3-(1H-imidazol-2-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
Authors:Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
Deposit date:2022-11-30
Release date:2023-12-13
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F98
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BU of 8f98 by Molmil
Compound 8 bound to procaspase-6
Descriptor: 5-fluoro-2-({[(3M)-3-(1H-imidazol-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
Authors:Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
Deposit date:2022-11-23
Release date:2023-12-13
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F96
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BU of 8f96 by Molmil
Compound 3 bound to procaspase-6
Descriptor: 5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol, Procaspase-6
Authors:Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
Deposit date:2022-11-23
Release date:2023-12-13
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
8F78
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BU of 8f78 by Molmil
Compound 1 bound to procaspase-6
Descriptor: 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, CHLORIDE ION, Procaspase-6
Authors:Fan, P, Zhao, Y, Renslo, A.R, Arkin, M.R.
Deposit date:2022-11-18
Release date:2023-12-13
Last modified:2024-06-26
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.
J.Med.Chem., 66, 2023
6DDJ
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BU of 6ddj by Molmil
Crystal Structure of the human BRD2 BD2 bromodimain in complex with a Tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2
Authors:White, S.W, Yun, M.
Deposit date:2018-05-10
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
6UKG
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BU of 6ukg by Molmil
HhaI endonuclease in Complex With DNA in space group P21 (pH 4.2)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*AP*GP*CP*GP*CP*AP*AP*CP*AP*G)-3'), DNA (5'-D(*CP*TP*GP*TP*TP*GP*CP*GP*CP*TP*TP*GP*GP*A)-3'), ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2019-10-04
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.16 Å)
Cite:Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
6UKF
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BU of 6ukf by Molmil
HhaI endonuclease in Complex with DNA at 1 Angstrom Resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2019-10-04
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1 Å)
Cite:Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020
6UKI
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BU of 6uki by Molmil
HhaI endonuclease in Complex with DNA in space group P212121 (pH 6.0)
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*CP*TP*GP*TP*TP*GP*CP*GP*CP*TP*TP*GP*GP*A)-3'), ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2019-10-04
Release date:2019-12-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of HhaI endonuclease with cognate DNA at an atomic resolution of 1.0 angstrom.
Nucleic Acids Res., 48, 2020

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