7LJC
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![BU of 7ljc by Molmil](/molmil-images/mine/7ljc) | Allosteric modulator LY3154207 binding to SKF-81297-bound dopamine receptor 1 in complex with miniGs protein | Descriptor: | (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, ... | Authors: | Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E. | Deposit date: | 2021-01-28 | Release date: | 2021-03-03 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor. Cell Res., 31, 2021
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6XMG
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![BU of 6xmg by Molmil](/molmil-images/mine/6xmg) | Cryo-EM structure of Cas12g ternary complex | Descriptor: | CRISPR-Cas, RNA (130-MER), RNA (5'-R(P*UP*UP*AP*AP*UP*GP*CP*GP*GP*UP*AP*GP*UP*UP*UP*AP*UP*CP*AP*CP*AP*GP*UP*U)-3'), ... | Authors: | Chang, L, Li, Z, Zhang, H. | Deposit date: | 2020-06-30 | Release date: | 2021-01-13 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Cryo-EM structure of the RNA-guided ribonuclease Cas12g. Nat.Chem.Biol., 17, 2021
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7LJD
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![BU of 7ljd by Molmil](/molmil-images/mine/7ljd) | Allosteric modulator LY3154207 binding to dopamine-bound dopamine receptor 1 in complex with miniGs protein | Descriptor: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Zhuang, Y, Krumm, B, Zhang, H, Zhou, X.E, Wang, Y, Guo, J, Huang, X.-P, Liu, Y, Wang, L, Cheng, X, Jiang, Y, Jiang, H, Melcher, K, Zhang, C, Yi, W, Roth, B.L, Zhang, Y, Xu, H.E. | Deposit date: | 2021-01-28 | Release date: | 2021-03-03 | Last modified: | 2021-05-12 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Mechanism of dopamine binding and allosteric modulation of the human D1 dopamine receptor. Cell Res., 31, 2021
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1VF5
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![BU of 1vf5 by Molmil](/molmil-images/mine/1vf5) | Crystal Structure of Cytochrome b6f Complex from M.laminosus | Descriptor: | (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, 8-HYDROXY-5,7-DIMETHOXY-3-METHYL-2-TRIDECYL-4H-CHROMEN-4-ONE, ... | Authors: | Kurisu, G, Zhang, H, Smith, J.L, Cramer, W.A. | Deposit date: | 2004-04-08 | Release date: | 2004-04-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the Cytochrome B6F Complex of Oxygenic Photosynthesis: Tuning the Cavity Science, 302, 2003
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5E6N
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![BU of 5e6n by Molmil](/molmil-images/mine/5e6n) | Crystal structure of C. elegans LGG-2 | Descriptor: | Protein lgg-2 | Authors: | Qi, X, Ren, J.Q, Wu, F, Zhang, H, Feng, W. | Deposit date: | 2015-10-10 | Release date: | 2016-01-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Structural Basis of the Differential Function of the Two C. elegans Atg8 Homologs, LGG-1 and LGG-2, in Autophagy Mol.Cell, 60, 2015
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1NI1
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![BU of 1ni1 by Molmil](/molmil-images/mine/1ni1) | Imidazole and cyanophenyl farnesyl transferase inhibitors | Descriptor: | 2-CHLORO-5-(3-CHLORO-PHENYL)-6-[(4-CYANO-PHENYL)-(3-METHYL-3H-IMIDAZOL-4-YL)- METHOXYMETHYL]-NICOTINONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ... | Authors: | Tong, Y, Lin, N.H, Wang, L, Hasvold, L, Wang, W, Leonard, N, Li, T, Li, Q, Cohen, J, Gu, W.Z, Zhang, H, Stoll, V, Bauch, J, Marsh, K, Rosenberg, S.H, Sham, H.L. | Deposit date: | 2002-12-20 | Release date: | 2004-04-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of potent imidazole and cyanophenyl containing farnesyltransferase inhibitors with improved oral bioavailability. Bioorg.Med.Chem.Lett., 13, 2003
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1TZM
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![BU of 1tzm by Molmil](/molmil-images/mine/1tzm) | Crystal structure of ACC deaminase complexed with substrate analog b-chloro-D-alanine | Descriptor: | 1-aminocyclopropane-1-carboxylate deaminase, 3-chloro-D-alanine, AMINO-ACRYLATE, ... | Authors: | Karthikeyan, S, Zhou, Q, Zhao, Z, Kao, C.L, Tao, Z, Robinson, H, Liu, H.W, Zhang, H. | Deposit date: | 2004-07-10 | Release date: | 2004-11-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Structural Analysis of Pseudomonas 1-Aminocyclopropane-1-carboxylate Deaminase Complexes: Insight into the Mechanism of a Unique Pyridoxal-5'-phosphate Dependent Cyclopropane Ring-Opening Reaction Biochemistry, 43, 2004
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1TZJ
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![BU of 1tzj by Molmil](/molmil-images/mine/1tzj) | Crystal Structure of 1-aminocyclopropane-1-carboxylate deaminase complexed with d-vinyl glycine | Descriptor: | 1-aminocyclopropane-1-carboxylate deaminase, D-VINYLGLYCINE, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Karthikeyan, S, Zhou, Q, Zhao, Z, Kao, C.L, Tao, Z, Robinson, H, Liu, H.W, Zhang, H. | Deposit date: | 2004-07-10 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural Analysis of Pseudomonas 1-Aminocyclopropane-1-carboxylate Deaminase Complexes: Insight into the Mechanism of a Unique Pyridoxal-5'-phosphate Dependent Cyclopropane Ring-Opening Reaction Biochemistry, 43, 2004
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1TZ2
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![BU of 1tz2 by Molmil](/molmil-images/mine/1tz2) | Crystal structure of 1-aminocyclopropane-1-carboyxlate deaminase complexed with ACC | Descriptor: | 1-AMINOCYCLOPROPANECARBOXYLIC ACID, 1-aminocyclopropane-1-carboxylate deaminase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Karthikeyan, S, Zhou, Q, Zhao, Z, Kao, C.L, Tao, Z, Robinson, H, Liu, H.W, Zhang, H. | Deposit date: | 2004-07-09 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Analysis of Pseudomonas 1-Aminocyclopropane-1-carboxylate Deaminase Complexes: Insight into the Mechanism of a Unique Pyridoxal-5'-phosphate Dependent Cyclopropane Ring-Opening Reaction Biochemistry, 43, 2004
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1VQB
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![BU of 1vqb by Molmil](/molmil-images/mine/1vqb) | GENE V PROTEIN (SINGLE-STRANDED DNA BINDING PROTEIN) | Descriptor: | GENE V PROTEIN | Authors: | Skinner, M.M, Zhang, H, Leschnitzer, D.H, Guan, Y, Bellamy, H, Sweet, R.M, Gray, C.W, Konings, R.N.H, Wang, A.H.-J, Terwilliger, T.C. | Deposit date: | 1996-08-14 | Release date: | 1997-02-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the gene V protein of bacteriophage f1 determined by multiwavelength x-ray diffraction on the selenomethionyl protein. Proc.Natl.Acad.Sci.USA, 91, 1994
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1YHA
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![BU of 1yha by Molmil](/molmil-images/mine/1yha) | CRYSTAL STRUCTURES OF Y41H AND Y41F MUTANTS OF GENE V PROTEIN FROM FF PHAGE SUGGEST POSSIBLE PROTEIN-PROTEIN INTERACTIONS IN GVP-SSDNA COMPLEX | Descriptor: | GENE V PROTEIN | Authors: | Guan, Y, Zhang, H, Konings, R.N.H, Hilbers, C.W, Terwilliger, T.C, Wang, A.H.-J. | Deposit date: | 1994-04-14 | Release date: | 1994-06-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of Y41H and Y41F mutants of gene V protein from Ff phage suggest possible protein-protein interactions in the GVP-ssDNA complex. Biochemistry, 33, 1994
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1G5J
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![BU of 1g5j by Molmil](/molmil-images/mine/1g5j) | COMPLEX OF BCL-XL WITH PEPTIDE FROM BAD | Descriptor: | APOPTOSIS REGULATOR BCL-X, BAD PROTEIN | Authors: | Petros, A.M, Nettesheim, D.G, Wang, Y, Olejniczak, E.T, Meadows, R.P, Mack, J, Swift, K, Matayoshi, E.D, Zhang, H, Thompson, C.B, Fesik, S.W. | Deposit date: | 2000-11-01 | Release date: | 2001-02-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Rationale for Bcl-xL/Bad peptide complex formation from structure, mutagenesis, and biophysical studies. Protein Sci., 9, 2000
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1YHB
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![BU of 1yhb by Molmil](/molmil-images/mine/1yhb) | CRYSTAL STRUCTURES OF Y41H AND Y41F MUTANTS OF GENE V PROTEIN FROM FF PHAGE SUGGEST POSSIBLE PROTEIN-PROTEIN INTERACTIONS IN GVP-SSDNA COMPLEX | Descriptor: | GENE V PROTEIN | Authors: | Guan, Y, Zhang, H, Konings, R.N.H, Hilbers, C.W, Terwilliger, T.C, Wang, A.H.-J. | Deposit date: | 1994-04-14 | Release date: | 1994-06-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of Y41H and Y41F mutants of gene V protein from Ff phage suggest possible protein-protein interactions in the GVP-ssDNA complex. Biochemistry, 33, 1994
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1TYZ
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![BU of 1tyz by Molmil](/molmil-images/mine/1tyz) | Crystal structure of 1-Aminocyclopropane-1-carboyxlate Deaminase from Pseudomonas | Descriptor: | 1-aminocyclopropane-1-carboxylate deaminase, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | Authors: | Karthikeyan, S, Zhou, Q, Zhao, Z, Kao, C.L, Tao, Z, Robinson, H, Liu, H.W, Zhang, H. | Deposit date: | 2004-07-08 | Release date: | 2004-11-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of Pseudomonas 1-Aminocyclopropane-1-carboxylate Deaminase Complexes:Insight into the mechanism of unique pyrodoxial-5'-phosphate dependent cyclopropane ring opening reaction Biochemistry, 43, 2004
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1TZK
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![BU of 1tzk by Molmil](/molmil-images/mine/1tzk) | Crystal structure of 1-aminocyclopropane-1-carboxylate-deaminase complexed with alpha-keto-butyrate | Descriptor: | 1-aminocyclopropane-1-carboxylate deaminase, 2-KETOBUTYRIC ACID, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Karthikeyan, S, Zhou, Q, Zhao, Z, Kao, C.L, Tao, Z, Robinson, H, Liu, H.W, Zhang, H. | Deposit date: | 2004-07-10 | Release date: | 2004-11-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Analysis of Pseudomonas 1-Aminocyclopropane-1-carboxylate Deaminase Complexes: Insight into the Mechanism of a Unique Pyridoxal-5'-phosphate Dependent Cyclopropane Ring-Opening Reaction Biochemistry, 43, 2004
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3WOH
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![BU of 3woh by Molmil](/molmil-images/mine/3woh) | |
5HW4
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![BU of 5hw4 by Molmil](/molmil-images/mine/5hw4) | Crystal structure of Escherichia coli 16S rRNA methyltransferase RsmI in complex with AdoMet | Descriptor: | Ribosomal RNA small subunit methyltransferase I, S-ADENOSYLMETHIONINE | Authors: | Zhao, M, Zhang, H, Dong, Y, Gong, Y. | Deposit date: | 2016-01-28 | Release date: | 2016-10-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.211 Å) | Cite: | Structural Insights into the Methylation of C1402 in 16S rRNA by Methyltransferase RsmI Plos One, 11, 2016
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3L8I
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![BU of 3l8i by Molmil](/molmil-images/mine/3l8i) | Crystal structure of CCM3, a cerebral cavernous malformation protein critical for vascular integrity | Descriptor: | Programmed cell death protein 10 | Authors: | Li, X, Zhang, R, Zhang, H, He, Y, Ji, W, Min, W, Boggon, T.J. | Deposit date: | 2009-12-31 | Release date: | 2010-05-19 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of CCM3, a cerebral cavernous malformation protein critical for vascular integrity. J.Biol.Chem., 285, 2010
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3LNL
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![BU of 3lnl by Molmil](/molmil-images/mine/3lnl) | Crystal structure of Staphylococcus aureus protein SA1388 | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, UPF0135 protein SA1388, ZINC ION | Authors: | Singh, K.S, Chruszcz, M, Zhang, X, Minor, W, Zhang, H. | Deposit date: | 2010-02-02 | Release date: | 2010-03-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a Conserved Hypothetical Protein Sa1388 from S. aureus Reveals a Capped Hexameric Toroid with Two Pii Domain Lids and a Dinuclear Metal Center. Bmc Struct.Biol., 6, 2006
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5HWL
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![BU of 5hwl by Molmil](/molmil-images/mine/5hwl) | Human glutathione s-transferase Mu2 complexed with BDEA, monoclinic crystal form | Descriptor: | GLUTATHIONE, Glutathione S-transferase Mu 2, N,N'-(butane-1,4-diyl)bis{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide} | Authors: | Zhang, X, Wei, J, Wu, S, Zhang, H.P, Luo, M, Yang, X.L, Liao, F, Wang, D.Q. | Deposit date: | 2016-01-29 | Release date: | 2017-11-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Human glutathione s-transferase Mu2 complexed with BDEA, monoclinic crystal form To Be Published
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8HEF
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![BU of 8hef by Molmil](/molmil-images/mine/8hef) | The Crystal structure of deuterated S-217622 (Ensitrelvir) bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | Authors: | Yan, M, Zhang, H. | Deposit date: | 2022-11-08 | Release date: | 2023-04-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Synthesis of deuterated S-217622 (Ensitrelvir) with antiviral activity against coronaviruses including SARS-CoV-2. Antiviral Res., 213, 2023
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7QJU
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![BU of 7qju by Molmil](/molmil-images/mine/7qju) | EED in complex with PRC2 allosteric inhibitor compound 7 | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-17 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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7QJG
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![BU of 7qjg by Molmil](/molmil-images/mine/7qjg) | EED in complex with PRC2 allosteric inhibitor compound 6 | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-16 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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7QK4
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![BU of 7qk4 by Molmil](/molmil-images/mine/7qk4) | EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683) | Descriptor: | CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ... | Authors: | Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C. | Deposit date: | 2021-12-17 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies. J.Med.Chem., 65, 2022
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6E31
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![BU of 6e31 by Molmil](/molmil-images/mine/6e31) | Crystal structure of RIAM in an autoinhibited configuration. | Descriptor: | Rap1-interacting adapter molecule | Authors: | Chang, Y.C, Su, W, Zhang, H, Huang, Q, Philips, M.R, Wu, J. | Deposit date: | 2018-07-12 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for autoinhibition of RIAM regulated by FAK in integrin activation. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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