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5VSC
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BU of 5vsc by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 13
Descriptor: 6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
Authors:Babault, N, Xiong, Y, Liu, J, Jin, J.
Deposit date:2017-05-11
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
5VSF
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BU of 5vsf by Molmil
Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 17
Descriptor: 1,4-DIETHYLENE DIOXIDE, GLYCEROL, Histone-lysine N-methyltransferase EHMT1, ...
Authors:Babault, N, Xiong, Y, Liu, J, Jin, J.
Deposit date:2017-05-11
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
4FMU
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BU of 4fmu by Molmil
Crystal structure of Methyltransferase domain of human SET domain-containing protein 2 Compound: Pr-SNF
Descriptor: (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-(propylamino)hexanoic acid, Histone-lysine N-methyltransferase SETD2, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Zeng, H, Ibanez, G, Zheng, W, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2012-06-18
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Sinefungin Derivatives as Inhibitors and Structure Probes of Protein Lysine Methyltransferase SETD2.
J.Am.Chem.Soc., 134, 2012
2M0Y
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BU of 2m0y by Molmil
Solution structure of the SH3 domain of DOCK180
Descriptor: Dedicator of cytokinesis protein 1
Authors:Liu, X, Wen, W.
Deposit date:2012-11-08
Release date:2012-12-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the SH3 domain of DOCK180.
Proteins, 81, 2013
7C1S
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BU of 7c1s by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA and Leu-SNAC
Descriptor: Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A, S-(2-acetamidoethyl) (2S)-2-azanyl-4-methyl-pentanethioate
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.586 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1K
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BU of 7c1k by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A
Descriptor: Non-ribosomal peptide synthetase modules
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-04
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.755 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
6LAU
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BU of 6lau by Molmil
the wildtype SAM-VI riboswitch bound to SAH
Descriptor: CESIUM ION, GUANOSINE-5'-TRIPHOSPHATE, RNA (54-MER), ...
Authors:Ren, A, Sun, A.
Deposit date:2019-11-13
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.109 Å)
Cite:SAM-VI riboswitch structure and signature for ligand discrimination.
Nat Commun, 10, 2019
6L2T
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BU of 6l2t by Molmil
African swine fever virus major capsid protein p72
Descriptor: B646L,Major capsid protein
Authors:Wang, N, Rao, Z, Wang, X.
Deposit date:2019-10-06
Release date:2020-03-04
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Architecture of African swine fever virus and implications for viral assembly.
Science, 366, 2019
6LAX
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BU of 6lax by Molmil
the mutant SAM-VI riboswitch (U6C) bound to SAM
Descriptor: RNA (55-MER), S-ADENOSYLMETHIONINE, U1 small nuclear ribonucleoprotein A
Authors:Sun, A, Ren, A.
Deposit date:2019-11-13
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:SAM-VI riboswitch structure and signature for ligand discrimination.
Nat Commun, 10, 2019
6L3F
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BU of 6l3f by Molmil
The structure of UTP:RNA uridylyltransferase 1 (URT1) in in Arabidopsis
Descriptor: UTP:RNA uridylyltransferase 1
Authors:Lingru, Z.
Deposit date:2019-10-10
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.975 Å)
Cite:Crystal structure of Arabidopsis terminal uridylyl transferase URT1.
Biochem.Biophys.Res.Commun., 524, 2020
6L8K
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BU of 6l8k by Molmil
Structure of URT1 in complex with UTP
Descriptor: URIDINE 5'-TRIPHOSPHATE, UTP:RNA uridylyltransferase 1
Authors:Lingru, Z.
Deposit date:2019-11-06
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.999 Å)
Cite:Crystal structure of Arabidopsis terminal uridylyl transferase URT1.
Biochem.Biophys.Res.Commun., 524, 2020
6LAZ
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BU of 6laz by Molmil
the wildtype SAM-VI riboswitch bound to a N-mustard SAM analog M1
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate, MAGNESIUM ION, RNA (55-MER), ...
Authors:Ren, A, Sun, A.
Deposit date:2019-11-13
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:SAM-VI riboswitch structure and signature for ligand discrimination.
Nat Commun, 10, 2019
6LAS
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BU of 6las by Molmil
the wildtype SAM-VI riboswitch bound to SAM
Descriptor: RNA (55-MER), S-ADENOSYLMETHIONINE, U1 small nuclear ribonucleoprotein A
Authors:Ren, A, Sun, A.
Deposit date:2019-11-13
Release date:2020-01-01
Method:X-RAY DIFFRACTION (2.708 Å)
Cite:SAM-VI riboswitch structure and signature for ligand discrimination.
Nat Commun, 10, 2019
3SMR
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BU of 3smr by Molmil
Crystal structure of human WD repeat domain 5 with compound
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide, UNKNOWN ATOM OR ION, ...
Authors:Dong, A, Dombrovski, L, Wasney, G.A, Tempel, W, Senisterra, G, Bolshan, Y, Smil, D, Nguyen, K.T, Hajian, T, Poda, G, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Brown, P.J, Schapira, M, Arrowsmith, C.H, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-08-31
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
7C1L
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BU of 7c1l by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant R148A in complex with C8-CoA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1U
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BU of 7c1u by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140V/R148A in a "product-released" conformation
Descriptor: Non-ribosomal peptide synthetase modules
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1R
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BU of 7c1r by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant H140A/R148A in complex with C8-CoA
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Non-ribosomal peptide synthetase modules, OCTANOYL-COENZYME A
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1H
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BU of 7c1h by Molmil
Crystal structure of the starter condensation domain of rhizomide synthetase RzmA
Descriptor: Non-ribosomal peptide synthetase modules
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D, Bian, X.
Deposit date:2020-05-04
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7C1P
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BU of 7c1p by Molmil
Crystal structure of the starter condensation domain of the rhizomide synthetase RzmA mutant H140V, R148A
Descriptor: Non-ribosomal peptide synthetase modules
Authors:Zhong, L, Diao, X, Zhang, N, Li, F.W, Zhou, H.B, Chen, H.N, Ren, X, Zhang, Y, Wu, D.
Deposit date:2020-05-05
Release date:2020-11-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering and elucidation of the lipoinitiation process in nonribosomal peptide biosynthesis.
Nat Commun, 12, 2021
7EIO
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BU of 7eio by Molmil
Crystal Structure of Mei2 RRM3
Descriptor: GLYCEROL, Meiosis protein mei2, SULFATE ION
Authors:Shen, S.Y, Li, F.D.
Deposit date:2021-03-31
Release date:2022-04-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Structural insights reveal the specific recognition of meiRNA by the Mei2 protein.
J Mol Cell Biol, 14, 2022
5XJ1
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BU of 5xj1 by Molmil
Crystal structure of spRlmCD
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HEXAETHYLENE GLYCOL, ...
Authors:Jiang, Y, Gong, Q.
Deposit date:2017-04-28
Release date:2017-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.753 Å)
Cite:Structural insights into substrate selectivity of ribosomal RNA methyltransferase RlmCD
PLoS ONE, 12, 2017
5Y5Q
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BU of 5y5q by Molmil
Crystal structure of the WSSV dUTPase D88N/R158E mutant in complex with dUTP
Descriptor: DEOXYURIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Wsv112
Authors:Ma, Q, Zang, K.
Deposit date:2017-08-09
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:The dUTPase of white spot syndrome virus assembles its active sites in a noncanonical manner.
J. Biol. Chem., 293, 2018
5YJ8
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BU of 5yj8 by Molmil
Identification of a small molecule inhibitor for the Tudor domain of TDRD3
Descriptor: 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one, SULFATE ION, Tudor domain-containing protein 3
Authors:Liu, J, Ruan, K.
Deposit date:2017-10-09
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Structural plasticity of the TDRD3 Tudor domain probed by a fragment screening hit.
FEBS J., 285, 2018
7FIA
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BU of 7fia by Molmil
Structure of AcrIF23
Descriptor: AcrIF23
Authors:Ren, J, Yue, F.
Deposit date:2021-07-30
Release date:2022-07-27
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural and mechanistic insights into the inhibition of type I-F CRISPR-Cas system by anti-CRISPR protein AcrIF23.
J.Biol.Chem., 298, 2022
5VSD
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BU of 5vsd by Molmil
Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 13
Descriptor: 1,4-DIETHYLENE DIOXIDE, 6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine, GLYCEROL, ...
Authors:Babault, N, Xiong, Y, Liu, J, Jin, J.
Deposit date:2017-05-11
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017

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