2QH6
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![BU of 2qh6 by Molmil](/molmil-images/mine/2qh6) | Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with an Oxabicyclic diarylethylene Compound | Descriptor: | DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | Deposit date: | 2007-06-29 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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2QXM
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![BU of 2qxm by Molmil](/molmil-images/mine/2qxm) | Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to Burned Meat Compound PhIP | Descriptor: | 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nettles, K.W, Bruning, J.B, Gil, G, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | Deposit date: | 2007-08-12 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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2QGT
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![BU of 2qgt by Molmil](/molmil-images/mine/2qgt) | Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed to an Ether Estradiol Compound | Descriptor: | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | Deposit date: | 2007-06-29 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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2QA8
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![BU of 2qa8 by Molmil](/molmil-images/mine/2qa8) | Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Mutant 537S Complexed with Genistein | Descriptor: | Estrogen receptor, GENISTEIN, nuclear receptor coactivator 2 | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | Deposit date: | 2007-06-14 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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2QGW
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![BU of 2qgw by Molmil](/molmil-images/mine/2qgw) | Crystal Structure of the Estrogen Receptor Alpha Ligand Binding Domain Complexed with a Chloro-Indazole Compound | Descriptor: | 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nettles, K.W, Bruning, J.B, Nowak, J, Sharma, S.K, Hahm, J.B, Shi, Y, Kulp, K, Hochberg, R.B, Zhou, H, Katzenellenbogen, J.A, Katzenellenbogen, B.S, Kim, Y, Joachmiak, A, Greene, G.L. | Deposit date: | 2007-06-29 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses Nat.Chem.Biol., 4, 2008
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5TDH
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![BU of 5tdh by Molmil](/molmil-images/mine/5tdh) | The crystal structure of the dominant negative mutant G protein alpha(i)-1-beta-1-gamma-2 G203A/A326S | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, 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: | Liu, P, Jia, M.-Z, Zhou, X.E, de Waal, P.W, Dickson, B.M, Liu, B, Hou, L, Yin, Y.-T, Kang, Y.-Y, Shi, Y, Melcher, K, Xu, H.E, Jiang, Y. | Deposit date: | 2016-09-19 | Release date: | 2016-11-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structural basis of the dominant negative phenotype of the G alpha i1 beta 1 gamma 2 G203A/A326S heterotrimer Acta Pharmacol.Sin., 37, 2016
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1T2M
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![BU of 1t2m by Molmil](/molmil-images/mine/1t2m) | Solution Structure Of The Pdz Domain Of AF-6 | Descriptor: | AF-6 protein | Authors: | Zhou, H, Wu, J.H, Xu, Y.Q, Huang, A.D, Shi, Y.Y. | Deposit date: | 2004-04-22 | Release date: | 2005-02-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of AF-6 PDZ Domain and Its Interaction with the C-terminal Peptides from Neurexin and Bcr J.Biol.Chem., 280, 2005
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5VNU
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![BU of 5vnu by Molmil](/molmil-images/mine/5vnu) | Nonheme Iron Replacement in a Biosynthetic Nitric Oxide Reductase Model Performing O2 Reduction to Water: Mn-bound FeBMb | Descriptor: | MANGANESE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Reed, J, Shi, Y, Zhu, Q, Chakraborty, S, Mirs, E.N, Petrik, I.D, Bhagi-Damodaran, A, Ross, M, Moenne-Loccoz, P, Zhang, Y, Lu, Y. | Deposit date: | 2017-05-01 | Release date: | 2017-08-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.584 Å) | Cite: | Manganese and Cobalt in the Nonheme-Metal-Binding Site of a Biosynthetic Model of Heme-Copper Oxidase Superfamily Confer Oxidase Activity through Redox-Inactive Mechanism. J. Am. Chem. Soc., 139, 2017
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7LLQ
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![BU of 7llq by Molmil](/molmil-images/mine/7llq) | Substrate-dependent divergence of leukotriene A4 hydrolase aminopeptidase activity | Descriptor: | 1-benzyl-4-methoxybenzene, 1-{4-oxo-4-[(2S)-pyrrolidin-2-yl]butanoyl}-L-proline, Leukotriene A-4 hydrolase, ... | Authors: | Lee, K.H, Lee, S.H, Shim, Y.M, Paige, M, Noble, S.M. | Deposit date: | 2021-02-04 | Release date: | 2022-06-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Substrate-dependent modulation of the leukotriene A 4 hydrolase aminopeptidase activity and effect in a murine model of acute lung inflammation. Sci Rep, 12, 2022
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1T29
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![BU of 1t29 by Molmil](/molmil-images/mine/1t29) | Crystal structure of the BRCA1 BRCT repeats bound to a phosphorylated BACH1 peptide | Descriptor: | BACH1 phosphorylated peptide, Breast cancer type 1 susceptibility protein | Authors: | Shiozaki, E.N, Gu, L, Yan, N, Shi, Y. | Deposit date: | 2004-04-20 | Release date: | 2004-05-11 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the BRCT repeats of BRCA1 bound to a BACH1 phosphopeptide: implications for signaling. Mol.Cell, 14, 2004
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1TMW
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![BU of 1tmw by Molmil](/molmil-images/mine/1tmw) | Solution structure of Human Coactosin Like Protein D123N | Descriptor: | Coactosin-like protein | Authors: | Dai, H, Wu, J, Xu, Y, Tang, Y, Ding, H, Shi, Y. | Deposit date: | 2004-06-11 | Release date: | 2005-06-28 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Study on Solution Structure and Its binding function to F-actin To be Published
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1U4A
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![BU of 1u4a by Molmil](/molmil-images/mine/1u4a) | Solution structure of human SUMO-3 C47S | Descriptor: | Ubiquitin-like protein SMT3A | Authors: | Ding, H, Xu, Y, Dai, H, Tang, Y, Wu, J, Shi, Y. | Deposit date: | 2004-07-23 | Release date: | 2005-03-08 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of Human SUMO-3 C47S and Its Binding Surface for Ubc9 Biochemistry, 44, 2005
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1SJ6
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![BU of 1sj6 by Molmil](/molmil-images/mine/1sj6) | NMR Structure and Regulated Expression in APL Cell of Human SH3BGRL3 | Descriptor: | SH3 domain-binding glutamic acid-rich-like protein 3 | Authors: | Xu, C, Tang, Y, Xu, Y, Wu, J, Shi, Y, Zhang, Q, Zheng, P, Du, Y. | Deposit date: | 2004-03-03 | Release date: | 2005-03-22 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR structure and regulated expression in APL cell of human SH3BGRL3. Febs Lett., 579, 2005
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6Z1H
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![BU of 6z1h by Molmil](/molmil-images/mine/6z1h) | Ancestral glycosidase (family 1) | Descriptor: | ANCESTRAL RECONSTRUCTED GLYCOSIDASE, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Hoshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A. | Deposit date: | 2020-05-13 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase. Nat Commun, 12, 2021
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6ZBO
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![BU of 6zbo by Molmil](/molmil-images/mine/6zbo) | HIF Prolyl Hydroxylase 2 (PHD2/EGLN1) in Complex with 1-(6-morpholinopyrimidin-4-yl)-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-5-ol (Molidustat) | Descriptor: | 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-(1,2,3-triazol-1-yl)pyrazol-3-ol, CHLORIDE ION, Egl nine homolog 1, ... | Authors: | Figg Jr, W.D, McDonough, M.A, Nakashima, Y, Holt-Martyn, J.P, Schofield, C.J. | Deposit date: | 2020-06-08 | Release date: | 2021-04-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structural Basis of Prolyl Hydroxylase Domain Inhibition by Molidustat. Chemmedchem, 16, 2021
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6ZBN
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![BU of 6zbn by Molmil](/molmil-images/mine/6zbn) | HIF Prolyl Hydroxylase 2 (PHD2/EGLN1) in complex with tert-butyl 6-(5-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl)nicotinate (IOX4) | Descriptor: | Egl nine homolog 1, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Figg Jr, W.D, McDonough, M.A, Nakashima, Y, Schofield, C.J. | Deposit date: | 2020-06-08 | Release date: | 2021-04-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural Basis of Prolyl Hydroxylase Domain Inhibition by Molidustat. Chemmedchem, 16, 2021
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6KXD
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![BU of 6kxd by Molmil](/molmil-images/mine/6kxd) | The ishigamide ketosynthase/chain length factor | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Ketosynthase, ... | Authors: | Du, D, Katsuyama, Y, Horiuchi, M, Fushinobu, S, Chen, A, Davis, T, Burkart, M, Ohnishi, Y. | Deposit date: | 2019-09-10 | Release date: | 2020-05-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for selectivity in a highly reducing type II polyketide synthase. Nat.Chem.Biol., 16, 2020
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1RJI
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![BU of 1rji by Molmil](/molmil-images/mine/1rji) | Solution Structure of BmKX, a novel potassium channel blocker from the Chinese Scorpion Buthus martensi Karsch | Descriptor: | potassium channel toxin KX | Authors: | Cai, Z, Wu, J, Xu, Y, Wang, C.-G, Chi, C.-W, Shi, Y. | Deposit date: | 2003-11-19 | Release date: | 2003-12-09 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | A novel short-chain peptide BmKX from the Chinese scorpion Buthus martensi karsch, sequencing, gene cloning and structure determination Toxicon, 45, 2005
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6L9C
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![BU of 6l9c by Molmil](/molmil-images/mine/6l9c) | Neutron structure of copper amine oxidase from Arthrobacter glibiformis at pD 7.4 | Descriptor: | COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION | Authors: | Murakawa, T, Kurihara, K, Shoji, M, Shibazaki, C, Sunami, T, Tamada, T, Yano, N, Yamada, T, Kusaka, K, Suzuki, M, Shigeta, Y, Kuroki, R, Hayashi, H, Yano, Y, Tanizawa, K, Adachi, M, Okajima, T. | Deposit date: | 2019-11-08 | Release date: | 2020-04-29 | Last modified: | 2023-11-22 | Method: | NEUTRON DIFFRACTION (1.14 Å), X-RAY DIFFRACTION | Cite: | Neutron crystallography of copper amine oxidase reveals keto/enolate interconversion of the quinone cofactor and unusual proton sharing. Proc.Natl.Acad.Sci.USA, 117, 2020
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7Y51
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![BU of 7y51 by Molmil](/molmil-images/mine/7y51) | Acetylxylan esterase from Caldanaerobacter subterraneus subsp. tengcongensis TTE0866 delta100 mutant | Descriptor: | GLYCEROL, NICKEL (II) ION, Predicted xylanase/chitin deacetylase | Authors: | Sasamoto, K, Himiyama, T, Moriyoshi, K, Ohmoto, T, Uegaki, K, Nakamura, T, Nishiya, Y. | Deposit date: | 2022-06-16 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Functional analysis of the N-terminal region of acetylxylan esterase from Caldanaerobacter subterraneus subsp. tengcongensis. Febs Open Bio, 12, 2022
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4TWY
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![BU of 4twy by Molmil](/molmil-images/mine/4twy) | Structure of SARS-3CL protease complex with a phenylbenzoyl (S,R)-N-decalin type inhibitor | Descriptor: | (2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase | Authors: | Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A. | Deposit date: | 2014-07-02 | Release date: | 2015-02-18 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors Bioorg.Med.Chem., 23, 2015
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5VO8
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![BU of 5vo8 by Molmil](/molmil-images/mine/5vo8) | X-ray crystal structure of a bacterial reiterative transcription complex of pyrG promoter | Descriptor: | DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*CP*TP*GP*AP*TP*GP*CP*AP*CP*C)-3'), DNA (5'-D(P*GP*GP*TP*GP*CP*AP*TP*CP*AP*GP*AP*GP*CP*CP*CP*AP*AP*AP*A)-3'), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Murakami, K.S, Shin, Y, Turnbough Jr, C.L, Molodtsov, V. | Deposit date: | 2017-05-02 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | X-ray crystal structure of a reiterative transcription complex reveals an atypical RNA extension pathway. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4TWW
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![BU of 4tww by Molmil](/molmil-images/mine/4tww) | Structure of SARS-3CL protease complex with a Bromobenzoyl (S,R)-N-decalin type inhibitor | Descriptor: | (2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal, 3C-like proteinase | Authors: | Akaji, K, Teruya, K, Shimamoto, Y, Sanjho, A, Yamashita, E, Nakagawa, A. | Deposit date: | 2014-07-02 | Release date: | 2015-02-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Fused-ring structure of decahydroisoquinolin as a novel scaffold for SARS 3CL protease inhibitors Bioorg.Med.Chem., 23, 2015
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7XUA
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![BU of 7xua by Molmil](/molmil-images/mine/7xua) | Structure of G9a in complex with compound 10a | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
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7XUD
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![BU of 7xud by Molmil](/molmil-images/mine/7xud) | Structure of G9a in complex with compound 26a | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
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