4JXY
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![BU of 4jxy by Molmil](/molmil-images/mine/4jxy) | CRYSTAL STRUCTURE OF POLYPRENYL SYNTHASE PATL_3739 (TARGET EFI-509195) FROM Pseudoalteromonas atlantica | Descriptor: | GLUTARIC ACID, PHOSPHATE ION, Trans-hexaprenyltranstransferase | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-03-28 | Release date: | 2013-04-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | CRYSTAL STRUCTURE OF ISOPRENOID SYNTHASE PATL_3739 FROM Pseudoalteromonas atlantica To be Published
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7Y8F
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![BU of 7y8f by Molmil](/molmil-images/mine/7y8f) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30o and GRIP Peptide | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-23 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer. Eur.J.Med.Chem., 253, 2023
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7Y8G
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![BU of 7y8g by Molmil](/molmil-images/mine/7y8g) | Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant in Complex with an Inhibitor 30a and GRIP Peptide | Descriptor: | DI(HYDROXYETHYL)ETHER, Estrogen receptor, Grip peptide, ... | Authors: | Min, J, Hu, H.B, Yang, Y, Dong, C.E, Zhou, H.B, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-23 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure-guided identification of novel dual-targeting estrogen receptor alpha degraders with aromatase inhibitory activity for the treatment of endocrine-resistant breast cancer. Eur.J.Med.Chem., 253, 2023
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1HNI
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![BU of 1hni by Molmil](/molmil-images/mine/1hni) | STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN A COMPLEX WITH THE NONNUCLEOSIDE INHIBITOR ALPHA-APA R 95845 AT 2.8 ANGSTROMS RESOLUTION | Descriptor: | (2-ACETYL-5-METHYLANILINO)(2,6-DIBROMOPHENYL)ACETAMIDE, HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P51), HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P66) | Authors: | Ding, J, Das, K, Arnold, E. | Deposit date: | 1995-02-28 | Release date: | 1995-06-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of HIV-1 reverse transcriptase in a complex with the non-nucleoside inhibitor alpha-APA R 95845 at 2.8 A resolution. Structure, 3, 1995
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4J9W
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![BU of 4j9w by Molmil](/molmil-images/mine/4j9w) | Crystal structure of the complex of a hydroxyproline epimerase (TARGET EFI-506499, PSEUDOMONAS FLUORESCENS PF-5) with the inhibitor pyrrole-2-carboxylate | Descriptor: | GLYCEROL, PYRROLE-2-CARBOXYLATE, Proline racemase family protein, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-02-17 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of the complex of a hydroxyproline epimerase (TARGET EFI-506499, PSEUDOMONAS FLUORESCENS PF-5) with the inhibitor pyrrole-2-carboxylate To be Published
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4TT4
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![BU of 4tt4 by Molmil](/molmil-images/mine/4tt4) | Crystal structure of ATAD2A bromodomain complexed with H3(1-21)K14Ac peptide | Descriptor: | ATPase family AAA domain-containing protein 2, CHLORIDE ION, Histone H3(1-21)K4Ac, ... | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | Deposit date: | 2014-06-19 | Release date: | 2014-12-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2. Biochem.J., 466, 2015
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4JBD
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![BU of 4jbd by Molmil](/molmil-images/mine/4jbd) | Crystal structure of Pput_1285, a putative hydroxyproline epimerase from Pseudomonas putida f1 (target EFI-506500), open form, space group I2, bound citrate | Descriptor: | CITRIC ACID, Proline racemase | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Stead, M, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-02-19 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal structure of pput_1285, a putative hydroxyproline epimerase from pseudomonas putida f1 (target efi-506500), open form, space group i2, bound citrate To be Published
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2Q1C
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![BU of 2q1c by Molmil](/molmil-images/mine/2q1c) | 2-keto-3-deoxy-D-arabinonate dehydratase complexed with calcium and 2-oxobutyrate | Descriptor: | 2-KETOBUTYRIC ACID, 2-keto-3-deoxy-D-arabinonate dehydratase, CALCIUM ION | Authors: | Barends, T, Brouns, S, Worm, P, Akerboom, J, Turnbull, A, Salmon, L. | Deposit date: | 2007-05-24 | Release date: | 2008-04-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily. J.Mol.Biol., 379, 2008
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3F5K
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![BU of 3f5k by Molmil](/molmil-images/mine/3f5k) | Semi-active E176Q mutant of rice BGlu1, a plant exoglucanase/beta-glucosidase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-glucosidase, GLYCEROL, ... | Authors: | Chuenchor, W, Ketudat Cairns, J.R, Pengthaisong, S, Robinson, R.C, Yuvaniyama, J, Chen, C.-J. | Deposit date: | 2008-11-03 | Release date: | 2009-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structural basis of oligosaccharide binding by rice BGlu1 beta-glucosidase J.Struct.Biol., 173, 2011
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4JUJ
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![BU of 4juj by Molmil](/molmil-images/mine/4juj) | Crystal structure of 1918 pandemic influenza virus hemagglutinin mutant D225G complexed with human receptor analogue LSTc | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Zhang, W, Shi, Y, Qi, J, Gao, F, Li, Q, Fan, Z, Yan, J, Gao, G.F. | Deposit date: | 2013-03-25 | Release date: | 2013-05-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.013 Å) | Cite: | Molecular basis of the receptor binding specificity switch of the hemagglutinins from both the 1918 and 2009 pandemic influenza A viruses by a D225G substitution J.Virol., 87, 2013
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4JO8
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![BU of 4jo8 by Molmil](/molmil-images/mine/4jo8) | Crystal structure of the activating Ly49H receptor in complex with m157 (G1F strain) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Killer cell lectin-like receptor 8, M157 | Authors: | Berry, R, Ng, N, Saunders, P.M, Vivian, J.P, Lin, J, Deuss, F.A, Corbett, A.J, Forbes, C.A, Widjaja, J.M, Sullivan, L.C, McAlister, A.D, Perugini, M.A, Call, M.J, Scalzo, A.A, Degli-Esposti, M.A, Coudert, J.D, Beddoe, T, Brooks, A.G, Rossjohn, J. | Deposit date: | 2013-03-18 | Release date: | 2013-05-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Targeting of a natural killer cell receptor family by a viral immunoevasin Nat.Immunol., 14, 2013
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1IHZ
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![BU of 1ihz by Molmil](/molmil-images/mine/1ihz) | |
4A9W
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![BU of 4a9w by Molmil](/molmil-images/mine/4a9w) | Flavin-containing monooxygenase from Stenotrophomonas maltophilia | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MONOOXYGENASE, SULFATE ION | Authors: | Jensen, C.N, Cartwright, J, Hart, S, Turkenburg, J.P, Ali, S.T, Allen, M.J, Grogan, G. | Deposit date: | 2011-11-29 | Release date: | 2012-04-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | A Flavoprotein Monooxygenase that Catalyses a Baeyer-Villiger Reaction and Thioether Oxidation Using Nadh as the Nicotinamide Cofactor. Chembiochem, 13, 2012
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4JXN
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![BU of 4jxn by Molmil](/molmil-images/mine/4jxn) | CRYSTAL STRUCTURE OF POLYPRENYL SYNTHASE ISP_B (TARGET EFI-509198) FROM Roseobacter denitrificans | Descriptor: | CHLORIDE ION, Octaprenyl-diphosphate synthase, UNKNOWN LIGAND | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Al Obaidi, N, Stead, M, Love, J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2013-03-28 | Release date: | 2013-05-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Isoprenoid Synthase Isp_B from Roseobacter Denitrificans To be Published
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3FEA
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![BU of 3fea by Molmil](/molmil-images/mine/3fea) | |
4IX1
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![BU of 4ix1 by Molmil](/molmil-images/mine/4ix1) | Crystal structure of hypothetical protein OPAG_01669 from Rhodococcus Opacus PD630, Target 016205 | Descriptor: | PHOSPHATE ION, hypothetical protein | Authors: | Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Zenchek, W, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-01-24 | Release date: | 2013-02-06 | Last modified: | 2013-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of hypothetical protein OPAG_01669 from Rhodococcus Opacus PD630, Target 016205 To be Published
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4AO5
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![BU of 4ao5 by Molmil](/molmil-images/mine/4ao5) | B. subtilis prophage dUTPase YosS in complex with dUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, SODIUM ION, SPBC2 PROPHAGE-DERIVED DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEO TIDOHYDROLASE YOSS | Authors: | Garcia-Nafria, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | Deposit date: | 2012-03-23 | Release date: | 2013-04-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism Acta Crystallogr.,Sect.D, 69, 2013
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1T1O
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![BU of 1t1o by Molmil](/molmil-images/mine/1t1o) | Components of the control 70S ribosome to provide reference for the RRF binding site | Descriptor: | 19-mer fragment of the 23S rRNA, 42-mer fragment of double helix from 16S rRNA, dodecamer fragment of double helix from 23S rRNA | Authors: | Agrawal, R.K, Sharma, M.R, Kiel, M.C, Hirokawa, G, Booth, T.M, Spahn, C.M, Grassucci, R.A, Kaji, A, Frank, J. | Deposit date: | 2004-04-16 | Release date: | 2004-06-15 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (12 Å) | Cite: | Visualization of ribosome-recycling factor on the Escherichia coli 70S ribosome: Functional implications Proc.Natl.Acad.Sci.USA, 101, 2004
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1T1Q
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![BU of 1t1q by Molmil](/molmil-images/mine/1t1q) | NMR STRUCTURE OF HUMAN INSULIN MUTANT HIS-B10-ASP, VAL-B12-ABA, PRO-B28-LYS, LYS-B29-PRO, 15 STRUCTURES | Descriptor: | Insulin, insulin | Authors: | Huang, K, Xu, B, Hu, S.Q, Chu, Y.C, Hua, Q.X, Whittaker, J, Nakagawa, S.H, De Meyts, P, Katsoyannis, P.G, Weiss, M.A. | Deposit date: | 2004-04-16 | Release date: | 2004-08-10 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta-Helix of the Insulin Receptor. J.Mol.Biol., 341, 2004
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4J0M
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![BU of 4j0m by Molmil](/molmil-images/mine/4j0m) | Crystal structure of BRL1 (LRR) in complex with brassinolide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Brassinolide, ... | Authors: | Chai, J, She, J, Han, Z, Zhou, B. | Deposit date: | 2013-01-31 | Release date: | 2013-07-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for differential recognition of brassinolide by its receptors Protein Cell, 4, 2013
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2F4W
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![BU of 2f4w by Molmil](/molmil-images/mine/2f4w) | Human ubiquitin-conjugating enzyme E2 J2 | Descriptor: | ubiquitin-conjugating enzyme E2, J2 | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Finerty Jr, P.J, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-11-24 | Release date: | 2005-12-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen. Mol Cell Proteomics, 11, 2012
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4J32
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![BU of 4j32 by Molmil](/molmil-images/mine/4j32) | Structure of the effector - immunity system Tae4 / Tai4 from Salmonella typhimurium | Descriptor: | 2-ETHOXYETHANOL, CITRATE ANION, Putative cytoplasmic protein, ... | Authors: | Benz, J, Reinstein, J, Meinhart, A. | Deposit date: | 2013-02-05 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Insights into the Effector - Immunity System Tae4/Tai4 from Salmonella typhimurium. Plos One, 8, 2013
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3EVX
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![BU of 3evx by Molmil](/molmil-images/mine/3evx) | Crystal structure of the human E2-like ubiquitin-fold modifier conjugating enzyme 1 (Ufc1). Northeast Structural Genomics Consortium target HR41 | Descriptor: | THIOCYANATE ION, Ufm1-conjugating enzyme 1 | Authors: | Forouhar, F, Abashidze, M, Seetharaman, J, Ho, C.K, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2008-10-13 | Release date: | 2008-10-21 | Last modified: | 2023-01-04 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | NMR and X-RAY structures of human E2-like ubiquitin-fold modifier conjugating enzyme 1 (UFC1) reveal structural and functional conservation in the metazoan UFM1-UBA5-UFC1 ubiquination pathway. J.STRUCT.FUNCT.GENOM., 10, 2009
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4TT2
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![BU of 4tt2 by Molmil](/molmil-images/mine/4tt2) | Crystal structure of ATAD2A bromodomain complexed with H4(1-20)K5Ac peptide | Descriptor: | ATPase family AAA domain-containing protein 2, Histone H4K5Ac | Authors: | Poncet-Montange, G, Zhan, Y, Bardenhagen, J, Petrocchi, A, Leo, E, Shi, X, Lee, G, Leonard, P, Geck Do, M, Cardozo, M, Palmer, W, Andersen, J, Jones, P, Ladbury, J. | Deposit date: | 2014-06-19 | Release date: | 2014-12-24 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Observed bromodomain flexibility reveals histone peptide- and small molecule ligand-compatible forms of ATAD2. Biochem.J., 466, 2015
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7Y6D
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![BU of 7y6d by Molmil](/molmil-images/mine/7y6d) | |