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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5TTF
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![BU of 5ttf by Molmil](/molmil-images/mine/5ttf) | Crystal structure of catalytic domain of G9a with MS012 | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EHMT2, N4-(1-methylpiperidin-4-yl)-N2-hexyl-6,7-dimethoxyquinazoline-2,4-diamine, ... | 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: | 2016-12-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Discovery of Potent and Selective Inhibitors for G9a-Like Protein (GLP) Lysine Methyltransferase. J. Med. Chem., 60, 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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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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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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6CIU
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![BU of 6ciu by Molmil](/molmil-images/mine/6ciu) | Structure of a Thr-rich interface in an Azami Green tetramer | Descriptor: | Azami-Green | Authors: | Oi, C, Lim, C.S, Knecht, K.M, Xiong, Y, Regan, L. | Deposit date: | 2018-02-25 | Release date: | 2018-09-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A threonine zipper that mediates protein-protein interactions: Structure and prediction. Protein Sci., 27, 2018
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1JS2
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![BU of 1js2 by Molmil](/molmil-images/mine/1js2) | Crystal structure of C77S HiPIP: a serine ligated [4Fe-4S] cluster | Descriptor: | IRON/SULFUR CLUSTER, high-potential iron protein | Authors: | Mansy, S.S, Xiong, Y, Hemann, C, Hille, R, Sundaralingam, M, Cowan, J.A. | Deposit date: | 2001-08-16 | Release date: | 2002-01-25 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure and stability studies of C77S HiPIP: a serine ligated [4Fe-4S] cluster. Biochemistry, 41, 2002
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7OCB
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![BU of 7ocb by Molmil](/molmil-images/mine/7ocb) | Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 7-[3-(1,3-dihydroisoindol-2-yl)propoxy]-2N-[2-(dimethylamino)ethyl]-6-methoxy-4N-(1-propan-2-ylpiperidin-4-yl)quinazoline-2,4-diamine, CHLORIDE ION, ... | Authors: | Johansson, C, Krojer, T, Park, K, Xiong, Y, Jin, J, Oppermann, U. | Deposit date: | 2021-04-26 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Crystal structure of Spindlin1 in complex with the inhibitor XY49-92B To Be Published
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3DCG
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![BU of 3dcg by Molmil](/molmil-images/mine/3dcg) | Crystal Structure of the HIV Vif BC-box in Complex with Human ElonginB and ElonginC | Descriptor: | Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, Virion infectivity factor | Authors: | Stanley, B.J, Ehrlich, E.S, Short, L, Yu, Y, Xiao, Z, Yu, X.-F, Xiong, Y. | Deposit date: | 2008-06-03 | Release date: | 2008-07-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insight into the human immunodeficiency virus Vif SOCS box and its role in human E3 ubiquitin ligase assembly J.Virol., 82, 2008
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5GZN
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![BU of 5gzn by Molmil](/molmil-images/mine/5gzn) | Structure of neutralizing antibody bound to Zika envelope protein | Descriptor: | Antibody Heavy chain, Antibody light chain, Genome polyprotein | Authors: | Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F. | Deposit date: | 2016-09-29 | Release date: | 2016-12-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus Sci Transl Med, 8, 2016
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8DZH
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![BU of 8dzh by Molmil](/molmil-images/mine/8dzh) | |
8DZI
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![BU of 8dzi by Molmil](/molmil-images/mine/8dzi) | |
4WQO
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![BU of 4wqo by Molmil](/molmil-images/mine/4wqo) | Structure of VHL-EloB-EloC-Cul2 | Descriptor: | Cullin-2, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ... | Authors: | Nguyen, H.C, Xiong, Y. | Deposit date: | 2014-10-22 | Release date: | 2015-03-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Insights into Cullin-RING E3 Ubiquitin Ligase Recruitment: Structure of the VHL-EloBC-Cul2 Complex. Structure, 23, 2015
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4REB
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![BU of 4reb by Molmil](/molmil-images/mine/4reb) | Structural Insights into 5' Flap DNA Unwinding and Incision by the Human FAN1 Dimer | Descriptor: | DNA (5'-D(P*CP*GP*TP*GP*GP*CP*GP*AP*GP*CP*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), DNA (5'-D(P*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), DNA (5'-D(P*GP*TP*GP*GP*CP*GP*AP*GP*C)-3'), ... | Authors: | Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. | Deposit date: | 2014-09-22 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer. Nat Commun, 5, 2014
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4REC
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![BU of 4rec by Molmil](/molmil-images/mine/4rec) | A nuclease-DNA complex form 3 | Descriptor: | DNA (40-MER), Fanconi-associated nuclease 1, IODIDE ION | Authors: | Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. | Deposit date: | 2014-09-22 | Release date: | 2014-12-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer. Nat Commun, 5, 2014
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4REA
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![BU of 4rea by Molmil](/molmil-images/mine/4rea) | A Nuclease DNA complex | Descriptor: | DNA (5'-D(*TP*GP*CP*TP*CP*GP*CP*CP*AP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*GP*GP*CP*GP*AP*GP*CP*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), ... | Authors: | Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. | Deposit date: | 2014-09-22 | Release date: | 2014-12-24 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.81 Å) | Cite: | Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer. Nat Commun, 5, 2014
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4TNP
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![BU of 4tnp by Molmil](/molmil-images/mine/4tnp) | Structural basis of cellular dNTP regulation, SAMHD1-GTP-dCTP-cCTP complex | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y. | Deposit date: | 2014-06-04 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis of cellular dNTP regulation by SAMHD1. Proc.Natl.Acad.Sci.USA, 111, 2014
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4TO5
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![BU of 4to5 by Molmil](/molmil-images/mine/4to5) | Structure basis of cellular dNTP regulation, SAMHD1-GTP-dTTP-dCTP complex | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ji, X, Tang, C, Zhao, Q, Wang, W, Xiong, Y. | Deposit date: | 2014-06-05 | Release date: | 2014-10-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of cellular dNTP regulation by SAMHD1. Proc.Natl.Acad.Sci.USA, 111, 2014
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6PWY
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![BU of 6pwy by Molmil](/molmil-images/mine/6pwy) | Structure of C. elegans ZK177.8, SAMHD1 ortholog | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Lim, C.S, Maehigashi, T, Wade, L.R, Bowen, N, Knecht, K, Xiong, Y, Kim, B. | Deposit date: | 2019-07-24 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | ZK177.8 of Caenorhabditis elegans:
Aicardi-Goutieres Syndrome SAMHD1 Ortholog To Be Published
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8SZK
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6OMT
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![BU of 6omt by Molmil](/molmil-images/mine/6omt) | HIV-1 capsid hexamer R18D mutant | Descriptor: | Capsid protein | Authors: | Huang, P, Summers, B.J, Xiong, Y. | Deposit date: | 2019-04-19 | Release date: | 2019-08-21 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | FEZ1 Is Recruited to a Conserved Cofactor Site on Capsid to Promote HIV-1 Trafficking. Cell Rep, 28, 2019
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5GZO
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![BU of 5gzo by Molmil](/molmil-images/mine/5gzo) | Structure of neutralizing antibody bound to Zika envelope protein | Descriptor: | Antibody heavy chain, Antibody light chain, Genome polyprotein | Authors: | Wang, Q, Yang, H, Liu, X, Dai, L, Ma, T, Qi, J, Wong, G, Peng, R, Liu, S, Li, J, Li, S, Song, J, Liu, J, He, J, Yuan, H, Xiong, Y, Liao, Y, Li, J, Yang, J, Tong, Z, Griffin, B, Bi, Y, Liang, M, Xu, X, Cheng, G, Wang, P, Qiu, X, Kobinger, G, Shi, Y, Yan, J, Gao, G.F. | Deposit date: | 2016-09-29 | Release date: | 2017-01-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.755 Å) | Cite: | Molecular determinants of human neutralizing antibodies isolated from a patient infected with Zika virus Sci Transl Med, 8, 2016
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1U6G
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![BU of 1u6g by Molmil](/molmil-images/mine/1u6g) | Crystal Structure of The Cand1-Cul1-Roc1 Complex | Descriptor: | Cullin homolog 1, RING-box protein 1, TIP120 protein, ... | Authors: | Goldenberg, S.J, Shumway, S.D, Cascio, T.C, Garbutt, K.C, Liu, J, Xiong, Y, Zheng, N. | Deposit date: | 2004-07-29 | Release date: | 2004-12-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure of the Cand1-Cul1-Roc1 complex reveals regulatory mechanisms for the assembly of the multisubunit cullin-dependent ubiquitin ligases Cell(Cambridge,Mass.), 119, 2004
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7S2Y
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![BU of 7s2y by Molmil](/molmil-images/mine/7s2y) | SAMHD1 HD domain bound to CNDAC | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{2-cyano-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | Authors: | Digianantonio, K.M, Xiong, Y. | Deposit date: | 2021-09-04 | Release date: | 2021-10-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Differences between intrinsic and acquired nucleoside analogue resistance in acute myeloid leukaemia cells. J Exp Clin Cancer Res, 40, 2021
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