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8EDT
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BU of 8edt by Molmil
E. coli Pyruvate kinase (PykF) T462I
Descriptor: Pyruvate kinase
Authors:Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
Deposit date:2022-09-05
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
8EDS
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BU of 8eds by Molmil
Escherichia coli pyruvate kinase (PykF) P70Q
Descriptor: Pyruvate kinase, SULFATE ION
Authors:Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
Deposit date:2022-09-05
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
8EDR
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BU of 8edr by Molmil
E. coli pyruvate kinase (PykF) P70Q
Descriptor: Pyruvate kinase, SULFATE ION
Authors:Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
Deposit date:2022-09-05
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
4YNG
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BU of 4yng by Molmil
Twinned pyruvate kinase from E. coli in the T-state
Descriptor: Pyruvate kinase I, SULFATE ION
Authors:Donovan, K.A, Dobson, R.C.J.
Deposit date:2015-03-10
Release date:2015-03-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Grappling with anisotropic data, pseudo-merohedral twinning and pseudo-translational noncrystallographic symmetry: a case study involving pyruvate kinase.
Acta Crystallogr D Struct Biol, 72, 2016
8EQ0
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BU of 8eq0 by Molmil
Escherichia coli pyruvate kinase G381A
Descriptor: GLYCINE, Pyruvate kinase
Authors:Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
Deposit date:2022-10-07
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
8EQ1
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BU of 8eq1 by Molmil
Escherichia coli pyruvate kinase D127N
Descriptor: Pyruvate kinase, SULFATE ION
Authors:Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
Deposit date:2022-10-07
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
8EQ3
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BU of 8eq3 by Molmil
Escherichia coli pyruvate kinase A301T
Descriptor: IMIDAZOLE, MALONATE ION, Pyruvate kinase, ...
Authors:Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
Deposit date:2022-10-07
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
8EU4
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BU of 8eu4 by Molmil
Escherichia coli pyruvate kinase A301S
Descriptor: Pyruvate kinase, SULFATE ION
Authors:Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
Deposit date:2022-10-18
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
8EDQ
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BU of 8edq by Molmil
E. coli pyruvate kinase (PykF) I264F
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pyruvate kinase, SULFATE ION
Authors:Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F.
Deposit date:2022-09-05
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
6Q0W
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BU of 6q0w by Molmil
Structure of DDB1-DDA1-DCAF15 complex bound to Indisulam and RBM39
Descriptor: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ...
Authors:Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S.
Deposit date:2019-08-02
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15.
Nat.Chem.Biol., 16, 2020
6Q0R
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BU of 6q0r by Molmil
Structure of DDB1-DDA1-DCAF15 complex bound to E7820 and RBM39
Descriptor: 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ...
Authors:Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S.
Deposit date:2019-08-02
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15.
Nat.Chem.Biol., 16, 2020
6Q0V
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BU of 6q0v by Molmil
Structure of DDB1-DDA1-DCAF15 complex bound to tasisulam and RBM39
Descriptor: DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ...
Authors:Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S.
Deposit date:2019-08-02
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15.
Nat.Chem.Biol., 16, 2020
7MEU
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BU of 7meu by Molmil
A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders
Descriptor: (2E)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E
Authors:Papadopoulos, E.
Deposit date:2021-04-07
Release date:2021-04-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders.
Eur.J.Med.Chem., 219, 2021
7RCT
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BU of 7rct by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor RMC-4550
Descriptor: CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 11, {3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl}methanol
Authors:Seegar, T.C.M.
Deposit date:2021-07-08
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Targeted Degradation of the Oncogenic Phosphatase SHP2.
Biochemistry, 60, 2021
7LPS
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BU of 7lps by Molmil
Crystal structure of DDB1-CRBN-ALV1 complex bound to Helios (IKZF2 ZF2)
Descriptor: 3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide, DNA damage-binding protein 1, Protein cereblon, ...
Authors:Nowak, R.P, Fischer, E.S.
Deposit date:2021-02-12
Release date:2021-06-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.78 Å)
Cite:Acute pharmacological degradation of Helios destabilizes regulatory T cells.
Nat.Chem.Biol., 17, 2021
6TD3
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BU of 6td3 by Molmil
Structure of DDB1 bound to CR8-engaged CDK12-cyclinK
Descriptor: (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Bunker, R.D, Petzold, G, Kozicka, Z, Thoma, N.H.
Deposit date:2019-11-07
Release date:2020-06-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.46 Å)
Cite:The CDK inhibitor CR8 acts as a molecular glue degrader that depletes cyclin K.
Nature, 585, 2020
8P82
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BU of 8p82 by Molmil
Cryo-EM structure of dimeric UBR5
Descriptor: E3 ubiquitin-protein ligase UBR5, ZINC ION
Authors:Aguirre, J.D, Kater, L, Kempf, G, Cavadini, S, Thoma, N.H.
Deposit date:2023-05-31
Release date:2023-06-14
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.36 Å)
Cite:UBR5 forms ligand-dependent complexes on chromatin to regulate nuclear hormone receptor stability.
Mol.Cell, 83, 2023
8P83
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BU of 8p83 by Molmil
Cryo-EM structure of full-length human UBR5 (homotetramer)
Descriptor: E3 ubiquitin-protein ligase UBR5
Authors:Aguirre, J.D, Kater, L, Kempf, G, Cavadini, S, Thoma, N.H.
Deposit date:2023-05-31
Release date:2023-06-14
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:UBR5 forms ligand-dependent complexes on chromatin to regulate nuclear hormone receptor stability.
Mol.Cell, 83, 2023
6N2F
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BU of 6n2f by Molmil
Meso-Diaminopimelate Decarboxylase from Arabidopsis thaliana (Isoform 2)
Descriptor: Diaminopimelate decarboxylase 2, chloroplastic, LYSINE, ...
Authors:Crowther, J.M, Dobson, R.C.J.
Deposit date:2018-11-12
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Active site gating provides stereochemical control for meso-diaminopimelate decarboxylase
To Be Published
6N2A
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BU of 6n2a by Molmil
Meso-Diaminopimelate Decarboxylase from Arabidopsis thaliana (Isoform 1)
Descriptor: Diaminopimelate decarboxylase 1, chloroplastic, LYSINE, ...
Authors:Crowther, J.M, Dobson, R.C.J.
Deposit date:2018-11-12
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Active site gating provides stereochemical control for meso-diaminopimelate decarboxylase
To Be Published
8G46
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BU of 8g46 by Molmil
Cryo-EM structure of DDB1deltaB-DDA1-DCAF16-BRD4(BD2)-MMH2
Descriptor: Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DET1- and DDB1-associated protein 1, ...
Authors:Ma, M.W, Hunkeler, M, Jin, C.Y, Fischer, E.S.
Deposit date:2023-02-08
Release date:2023-03-08
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Template-assisted covalent modification of DCAF16 underlies activity of BRD4 molecular glue degraders.
Biorxiv, 2023
6XMX
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BU of 6xmx by Molmil
Cryo-EM structure of BCL6 bound to BI-3802
Descriptor: 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide, B-cell lymphoma 6 protein
Authors:Yoon, H, Burman, S.S.R, Hunkeler, M, Nowak, R.P, Fischer, E.S.
Deposit date:2020-07-01
Release date:2020-11-25
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Small-molecule-induced polymerization triggers degradation of BCL6.
Nature, 588, 2020
8BUF
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BU of 8buf by Molmil
Structure of DDB1 bound to Z12-engaged CDK12-cyclin K
Descriptor: 2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BUJ
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BU of 8buj by Molmil
Structure of DDB1 bound to DS06-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-(octylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (3.62 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024
8BU1
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BU of 8bu1 by Molmil
Structure of DDB1 bound to DS17-engaged CDK12-cyclin K
Descriptor: (2~{R})-2-[[6-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methylamino]-9-(1-methylpyrazol-4-yl)purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ...
Authors:Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H.
Deposit date:2022-11-30
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Design principles for cyclin K molecular glue degraders.
Nat.Chem.Biol., 20, 2024

 

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