5T8R
 
 | | Crystal structure of human BAZ2A PHD zinc finger in complex with unmodified H3 10-mer | | 分子名称: | Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, Histone H3.1, ... | | 著者 | Amato, A, Gadd, M.S, Bortoluzzi, A, Ciulli, A. | | 登録日 | 2016-09-08 | | 公開日 | 2017-04-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural basis of molecular recognition of helical histone H3 tail by PHD finger domains.
Biochem. J., 474, 2017
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5DFD
 | | Crystal structure of BRD2(BD2) W370F mutant with ligand 28 bound | | 分子名称: | Bromodomain-containing protein 2, GLYCEROL, methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate | | 著者 | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | | 登録日 | 2015-08-26 | | 公開日 | 2015-11-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
J.Med.Chem., 59, 2016
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5DFC
 | | Crystal structure of BRD2(BD2) W370F mutant with ligand I-BET 762 bound | | 分子名称: | 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 2, GLYCEROL, ... | | 著者 | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | | 登録日 | 2015-08-26 | | 公開日 | 2015-11-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
J.Med.Chem., 59, 2016
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6HAZ
 | | Crystal structure of the bromodomain of human SMARCA2 in complex with SMARCA-BD ligand | | 分子名称: | 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Probable global transcription activator SNF2L2, ZINC ION | | 著者 | Bader, G, Steurer, S, Weiss-Puxbaum, A, Zoephel, A, Roy, M, Ciulli, A. | | 登録日 | 2018-08-09 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | | 主引用文献 | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
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5DFB
 | | Crystal structure of BRD2(BD2) mutant W370F in the free form | | 分子名称: | Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ... | | 著者 | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | | 登録日 | 2015-08-26 | | 公開日 | 2015-11-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
J.Med.Chem., 59, 2016
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6HM0
 | | Crystal structure of human BRD9 bromodomain in complex with a PROTAC | | 分子名称: | (2~{S},4~{S})-1-[(2~{S})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 9 | | 著者 | Hughes, S.J, Zoppi, V, Ciulli, A. | | 登録日 | 2018-09-11 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Iterative Design and Optimization of Initially Inactive Proteolysis Targeting Chimeras (PROTACs) Identify VZ185 as a Potent, Fast, and Selective von Hippel-Lindau (VHL) Based Dual Degrader Probe of BRD9 and BRD7.
J.Med.Chem., 62, 2019
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6HAX
 | | Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | 分子名称: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | | 登録日 | 2018-08-09 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
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6HAY
 | | Crystal structure of PROTAC 1 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB | | 分子名称: | (2~{S},4~{R})-~{N}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | | 登録日 | 2018-08-09 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.24 Å) | | 主引用文献 | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
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6HR2
 | | Crystal structure of PROTAC 2 in complex with the bromodomain of human SMARCA4 and pVHL:ElonginC:ElonginB | | 分子名称: | (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... | | 著者 | Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. | | 登録日 | 2018-09-26 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design.
Nat.Chem.Biol., 15, 2019
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5T35
 | | The PROTAC MZ1 in complex with the second bromodomain of Brd4 and pVHL:ElonginC:ElonginB | | 分子名称: | (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Transcription elongation factor B polypeptide 1, ... | | 著者 | Gadd, M.S, Zengerle, M, Ciulli, A. | | 登録日 | 2016-08-24 | | 公開日 | 2017-03-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis of PROTAC cooperative recognition for selective protein degradation.
Nat. Chem. Biol., 13, 2017
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4AJY
 | | von Hippel-Lindau protein-ElonginB-ElonginC complex, bound to Hif1- alpha peptide | | 分子名称: | GLYCEROL, HYPOXIA-INDUCIBLE FACTOR 1-ALPHA, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, ... | | 著者 | Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A. | | 登録日 | 2012-02-21 | | 公開日 | 2012-11-14 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | | 主引用文献 | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
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4AWJ
 | | pVHL:EloB:EloC complex, in complex with capped Hydroxyproline | | 分子名称: | (4R)-1-acetyl-4-hydroxy-N-methyl-L-prolinamide, ACETATE ION, ACETIC ACID, ... | | 著者 | Van Molle, I, Thomann, A, Buckley, D.L, So, E.C, Lang, S, Crews, C.M, Ciulli, A. | | 登録日 | 2012-06-04 | | 公開日 | 2012-11-14 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
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3ZTC
 | | pVHL54-213-EloB-EloC complex _ (2S,4R)-N-((1,1'-biphenyl)-4-ylmethyl)- 4-hydroxy-1-(2-(3-methylisoxazol-5-yl)acetyl)pyrrolidine-2- carboxamide | | 分子名称: | (4R)-N-(BIPHENYL-4-YLMETHYL)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ... | | 著者 | Van Molle, I, Buckley, D.L, Crews, C.M, Ciulli, A. | | 登録日 | 2011-07-06 | | 公開日 | 2012-07-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
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3ZTD
 | | pVHL54-213-EloB-EloC complex _ methyl 4-(((2S,4R)-4-hydroxy-1-(2-(3- methylisoxazol-5-yl)acetyl)pyrrolidine-2-carboxamido)methyl)benzoate | | 分子名称: | METHYL 4-[({(4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLYL}AMINO)METHYL]BENZOATE, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 1, TRANSCRIPTION ELONGATION FACTOR B POLYPEPTIDE 2, ... | | 著者 | VanMolle, I, Buckley, D.L, Crews, C.M, Ciulli, A. | | 登録日 | 2011-07-07 | | 公開日 | 2012-07-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Dissecting Fragment-Based Lead Discovery at the Von Hippel-Lindau Protein:Hypoxia Inducible Factor 1Alpha Protein-Protein Interface.
Chem.Biol., 19, 2012
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4NRC
 | | Crystal Structure of the bromodomain of human BAZ2B in complex with compound-3 N01186 | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide, ... | | 著者 | Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2013-11-26 | | 公開日 | 2013-12-25 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.
J.Med.Chem., 56, 2013
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6I5J
 | | Crystal structure of SOCS2:Elongin C:Elongin B in complex with growth hormone receptor peptide | | 分子名称: | COBALT (II) ION, Elongin-B, Elongin-C, ... | | 著者 | Kung, W.W, Ramachandran, S, Makukhin, N, Bruno, E, Ciulli, A. | | 登録日 | 2018-11-13 | | 公開日 | 2019-05-29 | | 最終更新日 | 2019-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase.
Nat Commun, 10, 2019
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6FAP
 | | Crystal structure of human BAZ2A PHD zinc finger in complex with Fr23 | | 分子名称: | Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, PHOSPHATE ION, ... | | 著者 | Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A. | | 登録日 | 2017-12-16 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
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4QEU
 | | Crystal structure of BRD2(BD2) mutant in free form | | 分子名称: | ACETATE ION, Bromodomain-containing protein 2, GLYCEROL | | 著者 | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | | 登録日 | 2014-05-19 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes.
Science, 346, 2014
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6FKP
 | | Crystal structure of BAZ2A PHD zinc finger in complex with H3 10-mer AA mutant peptide | | 分子名称: | ALA-ARG-THR-ALA-ALA-THR-ALA-ARG, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ... | | 著者 | Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A. | | 登録日 | 2018-01-24 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
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6FI0
 | | Crystal structure of BAZ2A PHD zinc finger in complex with Fr 19 | | 分子名称: | 2-azanyl-1-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)ethanone, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ... | | 著者 | Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A. | | 登録日 | 2018-01-16 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
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6FI1
 | | Crystal structure of human BAZ2B PHD zinc finger in complex with Fr23 | | 分子名称: | Bromodomain adjacent to zinc finger domain protein 2B, ZINC ION, ~{N}-(4-aminophenyl)-2-azanyl-ethanamide | | 著者 | Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A. | | 登録日 | 2018-01-16 | | 公開日 | 2018-03-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
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4QEW
 | | Crystal structure of BRD2(BD2) mutant with ligand ET bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]BUTANOATE) | | 分子名称: | Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ... | | 著者 | Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A. | | 登録日 | 2014-05-19 | | 公開日 | 2014-10-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Chemical biology. A bump-and-hole approach to engineer controlled selectivity of BET bromodomain chemical probes.
Science, 346, 2014
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6I4X
 | | Crystal structure of SOCS2:Elongin C:Elongin B in complex with erythropoietin receptor peptide | | 分子名称: | DI(HYDROXYETHYL)ETHER, Elongin-B, Elongin-C, ... | | 著者 | Kung, W.W, Ramachandran, S, Makukhin, N, Bruno, E, Ciulli, A. | | 登録日 | 2018-11-12 | | 公開日 | 2019-05-29 | | 最終更新日 | 2019-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase.
Nat Commun, 10, 2019
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6I5N
 | | Crystal structure of SOCS2:Elongin C:Elongin B in complex with growth hormone receptor peptide | | 分子名称: | COBALT (II) ION, Elongin-B, Elongin-C, ... | | 著者 | Kung, W.W, Ramachandran, S, Makukhin, N, Bruno, E, Ciulli, A. | | 登録日 | 2018-11-14 | | 公開日 | 2019-05-29 | | 最終更新日 | 2019-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase.
Nat Commun, 10, 2019
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6FHU
 | | Crystal structure of BAZ2A PHD zinc finger in complex with H3 3-mer peptide | | 分子名称: | ALA-ARG-TAM, Bromodomain adjacent to zinc finger domain protein 2A, GLYCEROL, ... | | 著者 | Amato, A, Lucas, X, Bortoluzzi, A, Wright, D, Ciulli, A. | | 登録日 | 2018-01-15 | | 公開日 | 2018-03-21 | | 最終更新日 | 2018-05-02 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Targeting Ligandable Pockets on Plant Homeodomain (PHD) Zinc Finger Domains by a Fragment-Based Approach.
ACS Chem. Biol., 13, 2018
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