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7TD5
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BU of 7td5 by Molmil
Structure of human PRC2-EZH1 containing phosphorylated SUZ12
Descriptor: Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, Polycomb protein SUZ12, ...
Authors:Gong, L, Jiao, L, Liu, X.
Deposit date:2021-12-30
Release date:2022-11-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.994 Å)
Cite:CK2-mediated phosphorylation of SUZ12 promotes PRC2 function by stabilizing enzyme active site.
Nat Commun, 13, 2022
7ZN7
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BU of 7zn7 by Molmil
Cryo-EM structure of RCMV-E E27 bound to human DDB1 (deltaBPB) and rat STAT2 CCD
Descriptor: B27a, DNA damage-binding protein 1, Signal transducer and activator of transcription, ...
Authors:Lauer, S, Spahn, C.M.T, Schwefel, D.
Deposit date:2022-04-20
Release date:2022-11-09
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Structural mechanism of CRL4-instructed STAT2 degradation via a novel cytomegaloviral DCAF receptor.
Embo J., 42, 2023
7ZNN
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BU of 7znn by Molmil
Cryo-EM structure of RCMV-E E27 bound to human DDB1 (deltaBPB) and full-length rat STAT2
Descriptor: B27a, DNA damage-binding protein 1, Signal transducer and activator of transcription, ...
Authors:Lauer, S, Spahn, C.M.T, Schwefel, D.
Deposit date:2022-04-21
Release date:2022-11-09
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structural mechanism of CRL4-instructed STAT2 degradation via a novel cytomegaloviral DCAF receptor.
Embo J., 42, 2023
7K19
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BU of 7k19 by Molmil
CryoEM structure of DNA-PK catalytic subunit complexed with DNA (Complex I)
Descriptor: DNA (5'-D(*AP*AP*GP*CP*AP*GP*TP*AP*GP*AP*GP*CP*AP*TP*GP*C)-3'), DNA (5'-D(*GP*CP*AP*TP*GP*CP*TP*CP*TP*AP*CP*TP*GP*CP*TP*TP*CP*GP*AP*TP*AP*TP*CP*G)-3'), DNA-dependent protein kinase catalytic subunit
Authors:Chen, X, Gellert, M, Yang, W.
Deposit date:2020-09-07
Release date:2021-01-06
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structure of an activated DNA-PK and its implications for NHEJ.
Mol.Cell, 81, 2021
6ZFP
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BU of 6zfp by Molmil
Cryo-EM structure of DNA-PKcs (State 2)
Descriptor: DNA-dependent protein kinase catalytic subunit,DNA-PKcs,DNA-PKcs
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-17
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
8IQF
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BU of 8iqf by Molmil
Cryo-EM structure of the dimeric human CAF1-H3-H4 complex
Descriptor: Chromatin assembly factor 1 subunit A, Chromatin assembly factor 1 subunit B, Histone H3.1, ...
Authors:Liu, C.P, Yu, Z.Y, Xu, R.M.
Deposit date:2023-03-16
Release date:2023-08-16
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural insights into histone binding and nucleosome assembly by chromatin assembly factor-1.
Science, 381, 2023
6ZH2
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BU of 6zh2 by Molmil
Cryo-EM structure of DNA-PKcs (State 1)
Descriptor: DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-dependent protein kinase catalytic subunit,DNA-PKcs
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-20
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
6ZH4
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BU of 6zh4 by Molmil
Cryo-EM structure of DNA-PKcs (State 3)
Descriptor: DNA-dependent protein kinase catalytic subunit,DNA-PKcs
Authors:Chaplin, A.K, Hardwick, S.W, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2020-06-20
Release date:2020-10-21
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.62 Å)
Cite:Dimers of DNA-PK create a stage for DNA double-strand break repair.
Nat.Struct.Mol.Biol., 28, 2021
7ZLO
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BU of 7zlo by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 12
Descriptor: Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
7ZLP
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BU of 7zlp by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 9
Descriptor: Elongin-B, Elongin-C, PHOSPHATE ION, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
7ZLN
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BU of 7zln by Molmil
Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 11
Descriptor: Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
7ZLS
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BU of 7zls by Molmil
co-crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13
Descriptor: 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ...
Authors:Ramachandran, S, Ciulli, A, Makukhin, N.
Deposit date:2022-04-15
Release date:2023-04-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
5O8U
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BU of 5o8u by Molmil
Covalent Inhibitor 4b bound to the Lipid Pocket of p38alpha Mutant S252C
Descriptor: 4-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]butan-2-one, Mitogen-activated protein kinase 14
Authors:Buehrmann, M, Rauh, D.
Deposit date:2017-06-14
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants.
Angew. Chem. Int. Ed. Engl., 56, 2017
5O8V
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BU of 5o8v by Molmil
Covalent Inhibitor 4a bound to the Lipid Pocket of p38alpha Mutant S251C
Descriptor: Mitogen-activated protein kinase 14, ~{N}-[3-[7-azanyl-4-(2-phenylethylamino)quinazolin-2-yl]phenyl]propanamide
Authors:Buehrmann, M, Rauh, D.
Deposit date:2017-06-14
Release date:2017-09-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Covalent Lipid Pocket Ligands Targeting p38 alpha MAPK Mutants.
Angew. Chem. Int. Ed. Engl., 56, 2017
5XXD
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BU of 5xxd by Molmil
Crystal structure of SmyD3 in complex with covalent inhibitor 1
Descriptor: S-ADENOSYLMETHIONINE, Smyd3 methyltransferase, ZINC ION, ...
Authors:Baburajendran, N, Anna E, J.
Deposit date:2017-07-03
Release date:2018-08-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.314 Å)
Cite:Crystal structure of SmyD3 in complex with covalent inhibitor 1
To Be Published
7RA5
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BU of 7ra5 by Molmil
CDK2 IN COMPLEX WITH COMPOUND 4
Descriptor: 4-[7-(methanesulfonyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine, Cyclin-dependent kinase 2
Authors:Marineau, J.J, Malojcic, G.
Deposit date:2021-06-30
Release date:2021-11-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of SY-5609: A Selective, Noncovalent Inhibitor of CDK7.
J.Med.Chem., 65, 2022
7M6T
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BU of 7m6t by Molmil
Crystal structure of SOCS2/ElonginB/ElonginC bound to a non-canonical peptide that enhances phospho-peptide binding
Descriptor: Elongin-B, Elongin-C, Non-canonical peptide F3, ...
Authors:Kershaw, N.J, Li, K, Linossi, E.M, Nicholson, S.E.
Deposit date:2021-03-26
Release date:2021-10-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.194 Å)
Cite:Discovery of an exosite on the SOCS2-SH2 domain that enhances SH2 binding to phosphorylated ligands.
Nat Commun, 12, 2021
8E96
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BU of 8e96 by Molmil
Glycine and glutamate bound Human GluN1a-GluN2D NMDA receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, GLYCINE, ...
Authors:Kang, H, Furukawa, H.
Deposit date:2022-08-26
Release date:2022-12-07
Last modified:2022-12-14
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Structural insights into assembly and function of GluN1-2C, GluN1-2A-2C, and GluN1-2D NMDARs.
Mol.Cell, 82, 2022
8DSD
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BU of 8dsd by Molmil
Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-S
Descriptor: (3S)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ...
Authors:Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
Deposit date:2022-07-22
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.429 Å)
Cite:Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DSH
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BU of 8dsh by Molmil
Human NAMPT in complex with quercitrin and AMPcP
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, Nicotinamide phosphoribosyltransferase, PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
Authors:Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
Deposit date:2022-07-22
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DSC
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BU of 8dsc by Molmil
Human NAMPT in complex with substrate NAM and small molecule activator NP-A1-R
Descriptor: (3R)-1-[2-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ...
Authors:Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
Deposit date:2022-07-22
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.321 Å)
Cite:Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DSE
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BU of 8dse by Molmil
Human NAMPT in complex with substrate NAM and activator quercitrin
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside, CHLORIDE ION, NICOTINAMIDE, ...
Authors:Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
Deposit date:2022-07-22
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.428 Å)
Cite:Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DTJ
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BU of 8dtj by Molmil
Human NAMPT in complex with small molecule activator ZN-43-S
Descriptor: (3S)-N-[(1-benzothiophen-5-yl)methyl]-1-{2-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine-3-carboxamide, CHLORIDE ION, GLYCEROL, ...
Authors:Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
Deposit date:2022-07-25
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.118 Å)
Cite:Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DSI
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BU of 8dsi by Molmil
Human NAMPT in complex with substrate NAM
Descriptor: CHLORIDE ION, GLYCEROL, NICOTINAMIDE, ...
Authors:Ratia, K, Xiong, R, Shen, Z, Thatcher, G.R.
Deposit date:2022-07-22
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Mechanism of Allosteric Modulation of Nicotinamide Phosphoribosyltransferase to Elevate Cellular NAD.
Biochemistry, 62, 2023
8DNH
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BU of 8dnh by Molmil
Cryo-EM structure of nonmuscle beta-actin
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ...
Authors:Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K.
Deposit date:2022-07-11
Release date:2023-04-12
Method:ELECTRON MICROSCOPY (2.99 Å)
Cite:Structural insights into actin isoforms.
Elife, 12, 2023

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