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7W0L
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BU of 7w0l by Molmil
Cryo-EM structure of a dimeric GPCR-Gi complex with small molecule
Descriptor: (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yue, Y, Liu, L.E, Wu, L.J, Xu, F, Hanson, M.
Deposit date:2021-11-18
Release date:2022-07-27
Last modified:2022-08-03
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:Structural insight into apelin receptor-G protein stoichiometry.
Nat.Struct.Mol.Biol., 29, 2022
7W0O
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BU of 7w0o by Molmil
Cryo-EM structure of a monomeric GPCR-Gi complex with peptide
Descriptor: Apelin receptor early endogenous ligand, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, F, Yue, Y, Liu, L.E, Wu, L.J, Hanson, M.
Deposit date:2021-11-18
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Structural insight into apelin receptor-G protein stoichiometry.
Nat.Struct.Mol.Biol., 29, 2022
7W0M
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BU of 7w0m by Molmil
Cryo-EM structure of a monomeric GPCR-Gi complex with small molecule
Descriptor: (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, F, Yue, Y, Liu, L.E, Wu, L.J, Hanson, M.
Deposit date:2021-11-18
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structural insight into apelin receptor-G protein stoichiometry.
Nat.Struct.Mol.Biol., 29, 2022
7W0P
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BU of 7w0p by Molmil
Cryo-EM structure of a GPCR-Gi complex with peptide
Descriptor: Apelin receptor early endogenous ligand, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Xu, F, Yue, Y, Liu, L.E, Wu, L.J, Hanson, M.
Deposit date:2021-11-18
Release date:2022-07-27
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structural insight into apelin receptor-G protein stoichiometry.
Nat.Struct.Mol.Biol., 29, 2022
7EVR
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BU of 7evr by Molmil
Crystal structure of hnRNP L RRM2 in complex with SETD2
Descriptor: Heterogeneous nuclear ribonucleoprotein L, SHI domain from Histone-lysine N-methyltransferase SETD2
Authors:Li, F.D, Wang, S.M.
Deposit date:2021-05-22
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of the interaction between SETD2 methyltransferase and hnRNP L paralogs for governing co-transcriptional splicing.
Nat Commun, 12, 2021
7EVS
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BU of 7evs by Molmil
Crystal structure of hnRNP LL RRM2 in complex with SETD2
Descriptor: Heterogeneous nuclear ribonucleoprotein L-like, SHI domain from Histone-lysine N-methyltransferase SETD2, SULFATE ION
Authors:Li, F.D, Wang, S.M.
Deposit date:2021-05-22
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis of the interaction between SETD2 methyltransferase and hnRNP L paralogs for governing co-transcriptional splicing.
Nat Commun, 12, 2021
4L0K
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BU of 4l0k by Molmil
Crystal structure of a type II restriction endonuclease
Descriptor: DraIII
Authors:Zhuo, W, Ge, J, Yang, M.
Deposit date:2013-05-31
Release date:2014-05-14
Method:X-RAY DIFFRACTION (2.328 Å)
Cite:Elimination of inter-domain interactions increases the cleavage fidelity of the restriction endonuclease DraIII.
Protein Cell, 5, 2014
5U4X
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BU of 5u4x by Molmil
Coactivator-associated arginine methyltransferase 1 with TP-064
Descriptor: Histone-arginine methyltransferase CARM1, N-methyl-N-[(2-{1-[2-(methylamino)ethyl]piperidin-4-yl}pyridin-4-yl)methyl]-3-phenoxybenzamide, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:DONG, A, ZENG, H, Saikatendu, K.S, STONE, H, WALKER, J.R, Seitova, A, Hutchinson, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC)
Deposit date:2016-12-06
Release date:2016-12-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:TP-064, a potent and selective small molecule inhibitor of PRMT4 for multiple myeloma.
Oncotarget, 9, 2018
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
5TTG
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BU of 5ttg by Molmil
Crystal structure of catalytic domain of GLP with MS012
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:DONG, A, ZENG, H, LIU, J, XIONG, Y, BABAULT, N, JIN, J, TEMPEL, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, WU, H, BROWN, P.J, Structural Genomics Consortium (SGC)
Deposit date:2016-11-03
Release date:2017-02-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5TEG
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BU of 5teg by Molmil
Crystal structure of hSETD8 in complex with histone H4K20 norleucine mutant peptide and S-Adenosylmethionine
Descriptor: Histone H4 mutant peptide with H4K20norleucine, N-lysine methyltransferase KMT5A, S-ADENOSYLMETHIONINE
Authors:Judge, R.A, Petros, A.M.
Deposit date:2016-09-21
Release date:2016-12-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Turning a Substrate Peptide into a Potent Inhibitor for the Histone Methyltransferase SETD8.
ACS Med Chem Lett, 7, 2016
5TUY
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BU of 5tuy by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor MS0124
Descriptor: 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
Authors:Babault, N, Xiong, Y, Liu, J, Jin, J.
Deposit date:2016-11-07
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
5TUZ
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BU of 5tuz by Molmil
Structure of human GLP SET-domain (EHMT1) in complex with inhibitor MS0124
Descriptor: 1,2-ETHANEDIOL, 6,7-dimethoxy-N-(1-methylpiperidin-4-yl)-2-(morpholin-4-yl)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT1, ...
Authors:Babault, N, Xiong, Y, Liu, J, Jin, J.
Deposit date:2016-11-07
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase.
J. Med. Chem., 60, 2017
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
5VSE
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BU of 5vse by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 17: N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
Descriptor: Histone-lysine N-methyltransferase EHMT2, N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine, S-ADENOSYLMETHIONINE, ...
Authors:Babault, N, Xiong, Y, Liu, J, Jin, J.
Deposit date:2017-05-11
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
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
3UR4
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BU of 3ur4 by Molmil
Crystal structure of human WD repeat domain 5 with compound
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC)
Deposit date:2011-11-21
Release date:2011-12-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
7ENQ
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BU of 7enq by Molmil
Crystal structure of human NAMPT in complex with compound NAT
Descriptor: 2-(2-~{tert}-butylphenoxy)-~{N}-(4-hydroxyphenyl)ethanamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
Authors:Wang, G, Wu, C, Liu, M, Yao, H, Li, C, Wang, L, Tang, Y.
Deposit date:2021-04-19
Release date:2022-05-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.204966 Å)
Cite:Discovery of small-molecule activators of nicotinamide phosphoribosyltransferase (NAMPT) and their preclinical neuroprotective activity.
Cell Res., 32, 2022
8WRZ
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BU of 8wrz by Molmil
Cry-EM structure of cannabinoid receptor-arrestin 2 complex
Descriptor: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol, Beta-arrestin-1, Soluble cytochrome b562,Cannabinoid receptor 1, ...
Authors:Wang, Y.X, Wang, T, Wu, L.J, Hua, T, Liu, Z.J.
Deposit date:2023-10-16
Release date:2024-02-28
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of cannabinoid receptor CB1-beta-arrestin complex.
Protein Cell, 15, 2024
5Y5P
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BU of 5y5p by Molmil
Crystal structure of the dUTPase of white spot syndrome virus in complex with dU,PPi and Mg2+
Descriptor: 2'-DEOXYURIDINE, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Ma, Q, Zang, K.
Deposit date:2017-08-09
Release date:2017-12-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The dUTPase of white spot syndrome virus assembles its active sites in a noncanonical manner.
J. Biol. Chem., 293, 2018
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
5Y5O
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BU of 5y5o by Molmil
Crystal structure of the dUTPase of white spot syndrome virus in the apo state
Descriptor: 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 (2.4 Å)
Cite:The dUTPase of white spot syndrome virus assembles its active sites in a noncanonical manner.
J. Biol. Chem., 293, 2018
5Y0U
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BU of 5y0u by Molmil
The solution structure of AEBP2 C2H2 zinc fingers
Descriptor: ZINC ION, Zinc finger protein AEBP2
Authors:Sun, A, Shi, Y, Wu, J.
Deposit date:2017-07-18
Release date:2018-08-01
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural and biochemical insights into human zinc finger protein AEBP2 reveals interactions with RBBP4.
Protein Cell, 9, 2018

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数据于2024-07-17公开中

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