4B76
 
 | | Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function | | Descriptor: | NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3, [2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium | | Authors: | Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H. | | Deposit date: | 2012-08-16 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
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6V9H
 | | Ankyrin repeat and SOCS-box protein 9 (ASB9), ElonginB (ELOB), and ElonginC (ELOC) bound to its substrate Brain-type Creatine Kinase (CKB) | | Descriptor: | Ankyrin repeat and SOCS box protein 9, Creatine kinase B-type, Elongin-B, ... | | Authors: | Komives, E.A, Lumpkin, R.J, Baker, R.W, Leschziner, A.E. | | Deposit date: | 2019-12-13 | | Release date: | 2020-04-29 | | Last modified: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure and dynamics of the ASB9 CUL-RING E3 Ligase.
Nat Commun, 11, 2020
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4B75
 | | Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function | | Descriptor: | (2S)-4-amino-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3 | | Authors: | Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H. | | Deposit date: | 2012-08-16 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
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8JE1
 | | An asymmetry dimer of the Cul2-Rbx1-EloBC-FEM1B ubiquitin ligase complexed with BEX2 | | Descriptor: | Cullin-2, E3 ubiquitin-protein ligase RBX1, Elongin-B, ... | | Authors: | Dai, Z, Liang, L, Yin, Y.X. | | Deposit date: | 2023-05-15 | | Release date: | 2024-02-28 | | Last modified: | 2024-04-03 | | Method: | ELECTRON MICROSCOPY (3.95 Å) | | Cite: | Structural insights into the ubiquitylation strategy of the oligomeric CRL2 FEM1B E3 ubiquitin ligase.
Embo J., 43, 2024
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4B74
 | | Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function | | Descriptor: | (2S)-4-[(2-ammonioethyl)amino]-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3 | | Authors: | Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H. | | Deposit date: | 2012-08-16 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function
Nat.Chem.Biol., 8, 2012
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5FXY
 | | Structure of the human RBBP4:MTA1(464-546) complex | | Descriptor: | HISTONE-BINDING PROTEIN RBBP4, METASTASIS-ASSOCIATED PROTEIN MTA1 | | Authors: | Millard, C.J, Varma, N, Fairall, L, Schwabe, J.W.R. | | Deposit date: | 2016-03-03 | | Release date: | 2016-05-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | The structure of the core NuRD repression complex provides insights into its interaction with chromatin.
Elife, 5, 2016
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3MEK
 | | Crystal Structure of Human Histone-Lysine N-methyltransferase SMYD3 in Complex with S-adenosyl-L-methionine | | Descriptor: | S-ADENOSYLMETHIONINE, SET and MYND domain-containing protein 3, ZINC ION | | Authors: | Lam, R, Dombrovski, L, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-03-31 | | Release date: | 2010-04-14 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Human Histone-Lysine N-methyltransferase SMYD3 in Complex with S-adenosyl-L-methionine
To be Published
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5OJS
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8WG5
 | | Cryo-EM structure of USP16 bound to H2AK119Ub nucleosome | | Descriptor: | DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | | Authors: | Ai, H.S, He, Z.Z, Deng, Z.H, Liu, L. | | Deposit date: | 2023-09-20 | | Release date: | 2023-12-27 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.05 Å) | | Cite: | Structural and mechanistic basis for nucleosomal H2AK119 deubiquitination by single-subunit deubiquitinase USP16.
Nat.Struct.Mol.Biol., 2024
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6Q7K
 | | ERK2 mini-fragment binding | | Descriptor: | 1H-imidazol-2-amine, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-13 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6Z6F
 | | HDAC-PC | | Descriptor: | HDA1 complex subunit 2, HDA1 complex subunit 3,HDA1 complex subunit 3, Histone deacetylase HDA1, ... | | Authors: | Lee, J.-H, Bollschweiler, D, Schaefer, T, Huber, R. | | Deposit date: | 2020-05-28 | | Release date: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Structural basis for the regulation of nucleosome recognition and HDAC activity by histone deacetylase assemblies.
Sci Adv, 7, 2021
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6Z6O
 | | HDAC-TC | | Descriptor: | HDA1 complex subunit 2, HDA1 complex subunit 3,HDA1 complex subunit 3, Histone deacetylase HDA1, ... | | Authors: | Lee, J.-H, Bollschweiler, D, Schaefer, T, Huber, R. | | Deposit date: | 2020-05-28 | | Release date: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for the regulation of nucleosome recognition and HDAC activity by histone deacetylase assemblies.
Sci Adv, 7, 2021
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6Z6H
 | | HDAC-DC | | Descriptor: | HDA1 complex subunit 2, HDA1 complex subunit 3,HDA1 complex subunit 3, Histone deacetylase HDA1, ... | | Authors: | Lee, J.-H, Bollschweiler, D, Schaefer, T, Huber, R. | | Deposit date: | 2020-05-28 | | Release date: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (8.55 Å) | | Cite: | Structural basis for the regulation of nucleosome recognition and HDAC activity by histone deacetylase assemblies.
Sci Adv, 7, 2021
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6QA3
 | | ERK2 mini-fragment binding | | Descriptor: | Mitogen-activated protein kinase 1, PYRAZOLE, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-18 | | Release date: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QA1
 | | ERK2 mini-fragment binding | | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, pyridin-2-amine | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-18 | | Release date: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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4B73
 | | Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function | | Descriptor: | (2S)-4-amino-N-[(1R)-1-(4-chloro-2-fluoro-3-phenoxyphenyl)propyl]-4-oxobutan-2-aminium, NON-STRUCTURAL PROTEIN 4A, SERINE PROTEASE NS3 | | Authors: | Saalau-Bethell, S.M, Woodhead, A.J, Chessari, G, Carr, M.G, Coyle, J, Graham, B, Hiscock, S.D, Murray, C.W, Pathuri, P, Rich, S.J, Richardson, C.J, Williams, P.A, Jhoti, H. | | Deposit date: | 2012-08-16 | | Release date: | 2012-10-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of an Allosteric Mechanism for the Regulation of Hcv Ns3 Protein Function.
Nat.Chem.Biol., 8, 2012
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7O0H
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6QAG
 | | ERK2 mini-fragment binding | | Descriptor: | 1~{H}-1,2,3-triazole, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-19 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QA4
 | | ERK2 mini-fragment binding | | Descriptor: | 1~{H}-pyridin-2-one, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-18 | | Release date: | 2019-06-26 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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4YDY
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6QAL
 | | ERK2 mini-fragment binding | | Descriptor: | 1,1-bis(oxidanylidene)thietan-3-ol, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-19 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QAW
 | | ERK2 mini-fragment binding | | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, [1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-19 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6QAQ
 | | ERK2 mini-fragment binding | | Descriptor: | Mitogen-activated protein kinase 1, SULFATE ION, thiophen-3-ylmethylazanium | | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | | Deposit date: | 2018-12-19 | | Release date: | 2019-03-27 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design.
Drug Discov Today, 24, 2019
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6WCQ
 | | Structure of a substrate-bound DQC ubiquitin ligase | | Descriptor: | Cullin-1, F-box/LRR-repeat protein 17, Kelch-like ECH-associated protein 1, ... | | Authors: | Mena, E.L, Jevtic, P, Greber, B.J, Gee, C.L, Lew, B.G, Akopian, D, Nogales, E, Kuriyan, J, Rape, M. | | Deposit date: | 2020-03-31 | | Release date: | 2020-08-19 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (8.5 Å) | | Cite: | Structural basis for dimerization quality control.
Nature, 586, 2020
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3AV2
 | | The human nucleosome structure containing the histone variant H3.3 | | Descriptor: | 146-MER DNA, Histone H2A type 1-B/E, Histone H2B type 1-J, ... | | Authors: | Tachiwana, H, Osakabe, A, Shiga, T, Miya, M, Kimura, H, Kagawa, W, Kurumizaka, H. | | Deposit date: | 2011-02-18 | | Release date: | 2011-06-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of human nucleosomes containing major histone H3 variants
Acta Crystallogr.,Sect.D, 67, 2011
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