5N21
 
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | | 分子名称: | 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid, B-cell lymphoma 6 protein, CHLORIDE ION | | 著者 | Robb, G, Ferguson, A, Hargreaves, D. | | 登録日 | 2017-02-06 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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5N20
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | | 分子名称: | B-cell lymphoma 6 protein, ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide | | 著者 | Robb, G, Ferguson, A, Hargreaves, D. | | 登録日 | 2017-02-06 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | | 主引用文献 | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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5N1V
 | | Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand | | 分子名称: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | 著者 | Robb, G, Ferguson, A, Hargreaves, D. | | 登録日 | 2017-02-06 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | | 主引用文献 | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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7KWM
 | | CtBP1 (28-375) L182F/V185T - AMP | | 分子名称: | ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION | | 著者 | Royer, W.E, Del Campo, M. | | 登録日 | 2020-12-01 | | 公開日 | 2021-02-03 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP).
J.Biol.Chem., 296, 2021
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5N1X
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | | 分子名称: | B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine | | 著者 | Robb, G, Ferguson, A, Hargreaves, D. | | 登録日 | 2017-02-06 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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5N1Z
 | | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine macrocyclic ligand | | 分子名称: | B-cell lymphoma 6 protein, CHLORIDE ION, pyrazolo-pyrimidine macrocycle | | 著者 | Robb, G, Ferguson, A, Hargreaves, D. | | 登録日 | 2017-02-06 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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2KIZ
 | | Solution structure of Arkadia RING-H2 finger domain | | 分子名称: | E3 ubiquitin-protein ligase Arkadia, ZINC ION | | 著者 | Kandias, N.G, Chasapis, C.T, Bentrop, D, Episkopou, V, Spyroulias, G.A. | | 登録日 | 2009-05-13 | | 公開日 | 2010-05-19 | | 最終更新日 | 2013-03-20 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR-based insights into the conformational and interaction properties of Arkadia RING-H2 E3 Ub ligase.
Proteins, 80, 2012
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7QAA
 | | Crystal structure of RARalpha/RXRalpha ligand binding domain heterodimer in complex with BMS614 and oleic acid | | 分子名称: | 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID, Isoform Alpha-1-deltaBC of Retinoic acid receptor alpha, OLEIC ACID, ... | | 著者 | le Maire, A, Vivat, V, Guee, L, Blanc, P, Malosse, C, Chamot-Rooke, J, Germain, P, Bourguet, w. | | 登録日 | 2021-11-16 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | | 主引用文献 | Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids.
J.Mol.Endocrinol., 69, 2022
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4DOR
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4WVD
 | | Identification of a novel FXR ligand that regulates metabolism | | 分子名称: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Bile acid receptor, FORMIC ACID, ... | | 著者 | Wang, R, Li, Y. | | 登録日 | 2014-11-05 | | 公開日 | 2015-02-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism.
Nat Commun, 4, 2013
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1MU4
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8H3F
 | | Cryo-EM Structure of the KBTBD2-CRL3-CSN complex | | 分子名称: | COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ... | | 著者 | Hu, Y, Mao, Q, Chen, Z, Sun, L. | | 登録日 | 2022-10-08 | | 公開日 | 2023-10-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (6.73 Å) | | 主引用文献 | Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
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8H3A
 | | Cryo-EM Structure of the KBTBD2-CRL3~N8(removed)-CSN complex | | 分子名称: | COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ... | | 著者 | Hu, Y, Mao, Q, Chen, Z, Sun, L. | | 登録日 | 2022-10-08 | | 公開日 | 2023-10-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (7.51 Å) | | 主引用文献 | Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
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8H38
 | | Cryo-EM Structure of the KBTBD2-CRL3~N8-CSN(mutate) complex | | 分子名称: | COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ... | | 著者 | Hu, Y, Mao, Q, Chen, Z, Sun, L. | | 登録日 | 2022-10-08 | | 公開日 | 2023-10-11 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (4.25 Å) | | 主引用文献 | Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2.
Nat.Struct.Mol.Biol., 31, 2024
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1LKY
 | | Structure of the wild-type TEL-SAM polymer | | 分子名称: | SULFATE ION, TRANSCRIPTION FACTOR ETV6 | | 著者 | Tran, H.H, Kim, C.A, Faham, S, Bowie, J.U. | | 登録日 | 2002-04-26 | | 公開日 | 2002-06-12 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Native interface of the SAM domain polymer of TEL.
BMC STRUCT.BIOL., 2, 2002
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8G1U
 | | Structure of the methylosome-Lsm10/11 complex | | 分子名称: | ADENOSINE, Methylosome protein 50, Methylosome subunit pICln, ... | | 著者 | Lin, M, Paige, A, Tong, L. | | 登録日 | 2023-02-03 | | 公開日 | 2023-08-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | ELECTRON MICROSCOPY (2.83 Å) | | 主引用文献 | In vitro methylation of the U7 snRNP subunits Lsm11 and SmE by the PRMT5/MEP50/pICln methylosome.
Rna, 29, 2023
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4LCJ
 | | CtBP2 in complex with substrate MTOB | | 分子名称: | 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Hilbert, B.J, Schiffer, C.A, Royer Jr, W.E. | | 登録日 | 2013-06-21 | | 公開日 | 2014-03-19 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.86 Å) | | 主引用文献 | Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design.
Febs Lett., 588, 2014
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2Z32
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7PDQ
 | | Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with LG100268 and a coactivator fragment | | 分子名称: | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-3-CARBOXYLIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | 著者 | le Maire, A, Bourguet, W, Guee, L. | | 登録日 | 2021-08-06 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids.
J.Mol.Endocrinol., 69, 2022
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7PDT
 | | Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with BMS649 and a coactivator fragment | | 分子名称: | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | 著者 | le Maire, A, Bourguet, W, Guee, L. | | 登録日 | 2021-08-07 | | 公開日 | 2022-08-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids.
J.Mol.Endocrinol., 69, 2022
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1NH2
 | | Crystal structure of a yeast TFIIA/TBP/DNA complex | | 分子名称: | 5'-D(*GP*TP*TP*TP*TP*AP*TP*AP*TP*AP*CP*AP*TP*AP*CP*A)-3', 5'-D(*TP*GP*TP*AP*(5IU)P*GP*TP*AP*TP*AP*(5IU)P*AP*AP*AP*AP*C)-3', Transcription initiation factor IIA large chain, ... | | 著者 | Bleichenbacher, M, Tan, S, Richmond, T.J. | | 登録日 | 2002-12-18 | | 公開日 | 2003-10-21 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Novel interactions between the components of human and yeast TFIIA/TBP/DNA complexes.
J.Mol.Biol., 332, 2003
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1BIX
 | | THE CRYSTAL STRUCTURE OF THE HUMAN DNA REPAIR ENDONUCLEASE HAP1 SUGGESTS THE RECOGNITION OF EXTRA-HELICAL DEOXYRIBOSE AT DNA ABASIC SITES | | 分子名称: | AP ENDONUCLEASE 1, PLATINUM (II) ION, SAMARIUM (III) ION | | 著者 | Gorman, M.A, Morera, S, Rothwell, D.G, De La Fortelle, E, Mol, C.D, Tainer, J.A, Hickson, I.D, Freemont, P.S. | | 登録日 | 1998-06-19 | | 公開日 | 1999-06-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The crystal structure of the human DNA repair endonuclease HAP1 suggests the recognition of extra-helical deoxyribose at DNA abasic sites.
EMBO J., 16, 1997
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8F2Z
 | | LSD1-CoREST in complex with AW2, short soaking | | 分子名称: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-([1,1'-biphenyl]-4-yl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | | 著者 | Caroli, J, Mattevi, A. | | 登録日 | 2022-11-09 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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8F30
 | | LSD1-CoREST in complex with AW2, long soaking | | 分子名称: | Lysine-specific histone demethylase 1A, REST corepressor 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) | | 著者 | Caroli, J, Mattevi, A. | | 登録日 | 2022-11-09 | | 公開日 | 2024-06-12 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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8F59
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