5TUZ
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![BU of 5tuz by Molmil](/molmil-images/mine/5tuz) | 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
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6DRZ
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![BU of 6drz by Molmil](/molmil-images/mine/6drz) | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8alpha)-N-[(2S)-1-hydroxybutan-2-yl]-1,6-dimethyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ... | Authors: | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | Deposit date: | 2018-06-13 | Release date: | 2018-08-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | Structural determinants of 5-HT2Breceptor activation and biased agonism. Nat. Struct. Mol. Biol., 25, 2018
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6DRY
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![BU of 6dry by Molmil](/molmil-images/mine/6dry) | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide, 5HT2B receptor, ... | Authors: | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | Deposit date: | 2018-06-13 | Release date: | 2018-08-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.918 Å) | Cite: | Structural determinants of 5-HT2Breceptor activation and biased agonism. Nat. Struct. Mol. Biol., 25, 2018
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6DRX
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![BU of 6drx by Molmil](/molmil-images/mine/6drx) | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5HT2B receptor, BRIL chimera, ... | Authors: | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | Deposit date: | 2018-06-13 | Release date: | 2018-08-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural determinants of 5-HT2Breceptor activation and biased agonism. Nat. Struct. Mol. Biol., 25, 2018
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6DS0
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![BU of 6ds0 by Molmil](/molmil-images/mine/6ds0) | Structural Determinants of Activation and Biased Agonism at the 5-HT2B Receptor | Descriptor: | (1S)-1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-6-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5HT2B receptor, ... | Authors: | McCorvy, J.D, Wacker, D, Wang, S, Agegnehu, B, Liu, J, Lansu, K, Tribo, A.R, Olsen, R.H.J, Che, T, Jin, J, Roth, B.L. | Deposit date: | 2018-06-13 | Release date: | 2018-08-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.188 Å) | Cite: | Structural determinants of 5-HT2Breceptor activation and biased agonism. Nat. Struct. Mol. Biol., 25, 2018
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4P0E
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6BOZ
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![BU of 6boz by Molmil](/molmil-images/mine/6boz) | Structure of human SETD8 in complex with covalent inhibitor MS4138 | Descriptor: | 1,2-ETHANEDIOL, N-(3-{[7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)prop-2-enamide, N-lysine methyltransferase KMT5A | Authors: | Babault, N, Anqi, M, Jin, J. | Deposit date: | 2017-11-21 | Release date: | 2019-05-01 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The dynamic conformational landscape of the protein methyltransferase SETD8. Elife, 8, 2019
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5V9J
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![BU of 5v9j by Molmil](/molmil-images/mine/5v9j) | Crystal structure of catalytic domain of GLP with MS0105 | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Histone-lysine N-methyltransferase EHMT1, ... | 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: | 2017-03-23 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of catalytic domain of GLP with MS0105 to be published
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5VSE
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![BU of 5vse by Molmil](/molmil-images/mine/5vse) | 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
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5VSD
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![BU of 5vsd by Molmil](/molmil-images/mine/5vsd) | 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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5VSF
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![BU of 5vsf by Molmil](/molmil-images/mine/5vsf) | 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
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5VSC
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![BU of 5vsc by Molmil](/molmil-images/mine/5vsc) | 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
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5V9I
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![BU of 5v9i by Molmil](/molmil-images/mine/5v9i) | Crystal structure of catalytic domain of G9a with MS0105 | Descriptor: | GLYCEROL, Histone-lysine N-methyltransferase EHMT2, N~2~-cyclohexyl-N~4~-(1-ethylpiperidin-4-yl)-6,7-dimethoxy-N~2~-methylquinazoline-2,4-diamine, ... | Authors: | Dong, A, Zeng, H, Liu, J, Xiong, Y, Babault, N, Jin, J, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Wu, H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2017-03-23 | Release date: | 2018-03-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal structure of catalytic domain of G9a with MS0105 to be published
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4HSG
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![BU of 4hsg by Molmil](/molmil-images/mine/4hsg) | Crystal structure of human PRMT3 in complex with an allosteric inhibitor (PRMT3- KTD) | Descriptor: | 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea, PRMT3 protein, UNKNOWN ATOM OR ION | Authors: | Dobrovetsky, E, Dong, A, Liu, F, Li, F, Tempel, W, Siarheyeva, A, Hajian, T, Smil, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Schapira, M, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2012-10-30 | Release date: | 2012-12-05 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors. J. Med. Chem., 56, 2013
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3RJW
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![BU of 3rjw by Molmil](/molmil-images/mine/3rjw) | Crystal structure of histone lysine methyltransferase g9a with an inhibitor | Descriptor: | 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Dong, A, Wasney, G.A, Tempel, W, Liu, F, Barsyte, D, Allali-Hassani, A, Chen, X, Chau, I, Hajian, T, Senisterra, G, Chavda, N, Arora, K, Siarheyeva, A, Kireev, D.B, Herold, J.M, Bochkarev, A, Bountra, C, Weigelt, J, Edwards, A.M, Frye, S.V, Arrowsmith, C.H, Brown, P.J, Jin, J, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2011-04-15 | Release date: | 2011-05-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells. Nat.Chem.Biol., 7, 2011
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7KIP
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![BU of 7kip by Molmil](/molmil-images/mine/7kip) | A 3.4 Angstrom cryo-EM structure of the human coronavirus spike trimer computationally derived from vitrified NL63 virus particles | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Zhang, K, Li, S, Pintilie, G, Chmielewski, D, Schmid, M, Simmons, G, Jin, J, Chiu, W. | Deposit date: | 2020-10-24 | Release date: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | A 3.4- angstrom cryo-EM structure of the human coronavirus spike trimer computationally derived from vitrified NL63 virus particles. Biorxiv, 2020
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8FCG
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![BU of 8fcg by Molmil](/molmil-images/mine/8fcg) | Cryo-EM structure of Chikungunya virus asymmetric unit | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Capsid protein, E1 glycoprotein, ... | Authors: | Su, G.C, Chmielewsk, D, Kaelber, J, Pintilie, G, Chen, M, Jin, J, Auguste, A, Chiu, W. | Deposit date: | 2022-12-01 | Release date: | 2024-03-20 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (3.09 Å) | Cite: | Cryogenic electron microscopy and tomography reveal imperfect icosahedral symmetry in alphaviruses. Pnas Nexus, 3, 2024
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7LIH
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![BU of 7lih by Molmil](/molmil-images/mine/7lih) | CryoEM structure of Mayaro virus icosahedral subunit | Descriptor: | Capsid protein, E1 protein, E2 protein | Authors: | Chmielewski, D, Kaelber, J.T, Jin, J, Weaver, S, Auguste, A.J, Chiu, W. | Deposit date: | 2021-01-27 | Release date: | 2022-02-09 | Last modified: | 2023-11-01 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Near-atomic resolution Cryo-EM structure of Mayaro virus identifies key structural determinants of alphavirus particle formation To Be Published
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4PZA
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![BU of 4pza by Molmil](/molmil-images/mine/4pza) | The complex structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c with inorganic phosphate | Descriptor: | Glucosyl-3-phosphoglycerate phosphatase, PHOSPHATE ION | Authors: | Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z. | Deposit date: | 2014-03-29 | Release date: | 2014-06-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.776 Å) | Cite: | Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase J.Biol.Chem., 289, 2014
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4PZ9
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![BU of 4pz9 by Molmil](/molmil-images/mine/4pz9) | The native structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c | Descriptor: | Glucosyl-3-phosphoglycerate phosphatase | Authors: | Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z. | Deposit date: | 2014-03-28 | Release date: | 2014-06-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase J.Biol.Chem., 289, 2014
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4QIH
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![BU of 4qih by Molmil](/molmil-images/mine/4qih) | The structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c complexes with VO3 | Descriptor: | Glucosyl-3-phosphoglycerate phosphatase, VANADATE ION | Authors: | Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z. | Deposit date: | 2014-05-30 | Release date: | 2014-06-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase J.Biol.Chem., 289, 2014
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8FR7
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![BU of 8fr7 by Molmil](/molmil-images/mine/8fr7) | A hinge glycan regulates spike bending and impacts coronavirus infectivity | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pintilie, G, Wilson, E, Chmielewski, D, Schmid, M.F, Jin, J, Chen, M, Singharoy, A, Chiu, W. | Deposit date: | 2023-01-06 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | A hinge glycan regulates spike bending and impacts coronavirus infectivity To Be Published
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3PEQ
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![BU of 3peq by Molmil](/molmil-images/mine/3peq) | PPARd complexed with a phenoxyacetic acid partial agonist | Descriptor: | IODIDE ION, Peroxisome proliferator-activated receptor delta, [(4-{butyl[2-methyl-4'-(methylsulfanyl)biphenyl-3-yl]sulfamoyl}naphthalen-1-yl)oxy]acetic acid, ... | Authors: | Lambert, M.H, Evans, K.A, Shearer, B.G, Wisnoski, D.D, Shi, D, Jin, J, Rivero, R.A, Sparks, S.M, Winegar, D.A, Billin, A.N, Britt, C, Way, J.M, Leesnitzer, L.M, Merrihew, R.V. | Deposit date: | 2010-10-27 | Release date: | 2011-10-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Phenoxyacetic acid PPARd partial agonists for the treatment of type 2 diabetes: synthesis, optimization, and in vivo efficacy Bioorg.Med.Chem.Lett., 21, 2011
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5EMP
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![BU of 5emp by Molmil](/molmil-images/mine/5emp) | Transcription factor GRDBD and mmGRE complex | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*AP*AP*CP*AP*TP*GP*AP*TP*GP*TP*TP*CP*TP*G)-3'), DNA (5'-D(P*CP*CP*AP*GP*AP*AP*CP*AP*TP*(5CM)P*AP*TP*GP*TP*TP*CP*TP*G)-3'), Glucocorticoid receptor, ... | Authors: | Lian, T, Jin, J, Su, X. | Deposit date: | 2015-11-06 | Release date: | 2016-06-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The effects of cytosine methylation on general transcription factors To Be Published
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8K8M
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![BU of 8k8m by Molmil](/molmil-images/mine/8k8m) | |