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5N21	Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand Descriptor: 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 Authors: Robb, G, Ferguson, A, Hargreaves, D. Deposit date: 2017-02-06 Release date: 2017-05-17 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.58 Å) Cite: 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
5N20	Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand Descriptor: 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 Authors: Robb, G, Ferguson, A, Hargreaves, D. Deposit date: 2017-02-06 Release date: 2017-05-17 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.38 Å) Cite: 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
5N1V	Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... Authors: Robb, G, Ferguson, A, Hargreaves, D. Deposit date: 2017-02-06 Release date: 2017-05-17 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.52 Å) Cite: 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
7KWM	CtBP1 (28-375) L182F/V185T - AMP Descriptor: ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION Authors: Royer, W.E, Del Campo, M. Deposit date: 2020-12-01 Release date: 2021-02-03 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (2.3 Å) Cite: NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP). J.Biol.Chem., 296, 2021
5N1X	Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand Descriptor: B-cell lymphoma 6 protein, ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine Authors: Robb, G, Ferguson, A, Hargreaves, D. Deposit date: 2017-02-06 Release date: 2017-05-17 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.72 Å) Cite: 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
5N1Z	Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine macrocyclic ligand Descriptor: B-cell lymphoma 6 protein, CHLORIDE ION, pyrazolo-pyrimidine macrocycle Authors: Robb, G, Ferguson, A, Hargreaves, D. Deposit date: 2017-02-06 Release date: 2017-05-17 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.81 Å) Cite: 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
2KIZ	Solution structure of Arkadia RING-H2 finger domain Descriptor: E3 ubiquitin-protein ligase Arkadia, ZINC ION Authors: Kandias, N.G, Chasapis, C.T, Bentrop, D, Episkopou, V, Spyroulias, G.A. Deposit date: 2009-05-13 Release date: 2010-05-19 Last modified: 2013-03-20 Method: SOLUTION NMR Cite: NMR-based insights into the conformational and interaction properties of Arkadia RING-H2 E3 Ub ligase. Proteins, 80, 2012
7QAA	Crystal structure of RARalpha/RXRalpha ligand binding domain heterodimer in complex with BMS614 and oleic acid Descriptor: 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, ... Authors: le Maire, A, Vivat, V, Guee, L, Blanc, P, Malosse, C, Chamot-Rooke, J, Germain, P, Bourguet, w. Deposit date: 2021-11-16 Release date: 2022-10-05 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.76 Å) Cite: Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids. J.Mol.Endocrinol., 69, 2022
4DOR	Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, in its apo State Bound to a Fragment of Human SHP Box1 Descriptor: L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor subfamily 0 group B member 2, Nuclear receptor subfamily 5 group A member 2 Authors: Musille, P.M, Ortlund, E.A. Deposit date: 2012-02-10 Release date: 2012-04-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Antidiabetic phospholipid-nuclear receptor complex reveals the mechanism for phospholipid-driven gene regulation. Nat.Struct.Mol.Biol., 19, 2012
4WVD	Identification of a novel FXR ligand that regulates metabolism Descriptor: (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, ... Authors: Wang, R, Li, Y. Deposit date: 2014-11-05 Release date: 2015-02-11 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.9 Å) Cite: The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism. Nat Commun, 4, 2013
1MU4	CRYSTAL STRUCTURE AT 1.8 ANGSTROMS OF THE BACILLUS SUBTILIS CATABOLITE REPRESSION HISTIDINE CONTAINING PROTEIN (CRH) Descriptor: HPr-like protein crh, SULFATE ION Authors: Juy, M.R, Haser, R. Deposit date: 2002-09-23 Release date: 2003-10-07 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Dimerization of Crh by reversible 3D Domain Swapping Induces Structural Adjustments to its monomeric homologue HPR J.Mol.Biol., 332, 2003
8H3F	Cryo-EM Structure of the KBTBD2-CRL3-CSN complex Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ... Authors: Hu, Y, Mao, Q, Chen, Z, Sun, L. Deposit date: 2022-10-08 Release date: 2023-10-11 Last modified: 2024-03-20 Method: ELECTRON MICROSCOPY (6.73 Å) Cite: Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2. Nat.Struct.Mol.Biol., 31, 2024
8H3A	Cryo-EM Structure of the KBTBD2-CRL3~N8(removed)-CSN complex Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ... Authors: Hu, Y, Mao, Q, Chen, Z, Sun, L. Deposit date: 2022-10-08 Release date: 2023-10-11 Last modified: 2024-03-20 Method: ELECTRON MICROSCOPY (7.51 Å) Cite: Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2. Nat.Struct.Mol.Biol., 31, 2024
8H38	Cryo-EM Structure of the KBTBD2-CRL3~N8-CSN(mutate) complex Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ... Authors: Hu, Y, Mao, Q, Chen, Z, Sun, L. Deposit date: 2022-10-08 Release date: 2023-10-11 Last modified: 2024-03-20 Method: ELECTRON MICROSCOPY (4.25 Å) Cite: Dynamic molecular architecture and substrate recruitment of cullin3-RING E3 ligase CRL3 KBTBD2. Nat.Struct.Mol.Biol., 31, 2024
1LKY	Structure of the wild-type TEL-SAM polymer Descriptor: SULFATE ION, TRANSCRIPTION FACTOR ETV6 Authors: Tran, H.H, Kim, C.A, Faham, S, Bowie, J.U. Deposit date: 2002-04-26 Release date: 2002-06-12 Last modified: 2023-08-16 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Native interface of the SAM domain polymer of TEL. BMC STRUCT.BIOL., 2, 2002
8G1U	Structure of the methylosome-Lsm10/11 complex Descriptor: ADENOSINE, Methylosome protein 50, Methylosome subunit pICln, ... Authors: Lin, M, Paige, A, Tong, L. Deposit date: 2023-02-03 Release date: 2023-08-23 Last modified: 2023-10-25 Method: ELECTRON MICROSCOPY (2.83 Å) Cite: In vitro methylation of the U7 snRNP subunits Lsm11 and SmE by the PRMT5/MEP50/pICln methylosome. Rna, 29, 2023
4LCJ	CtBP2 in complex with substrate MTOB Descriptor: 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE Authors: Hilbert, B.J, Schiffer, C.A, Royer Jr, W.E. Deposit date: 2013-06-21 Release date: 2014-03-19 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.86 Å) Cite: Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design. Febs Lett., 588, 2014
2Z32	Crystal structure of Keap1 complexed with Prothymosin alpha Descriptor: Kelch-like ECH-associated protein 1, Prothymosin alpha, SULFATE ION Authors: Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) Deposit date: 2007-05-31 Release date: 2008-03-11 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural analysis of the complex of Keap1 with a prothymosin alpha peptide Acta Crystallogr.,Sect.F, 64, 2008
7PDQ	Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with LG100268 and a coactivator fragment Descriptor: 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 Authors: le Maire, A, Bourguet, W, Guee, L. Deposit date: 2021-08-06 Release date: 2022-08-03 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.58 Å) Cite: Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids. J.Mol.Endocrinol., 69, 2022
7PDT	Crystal structure of a mutated form of RXRalpha ligand binding domain in complex with BMS649 and a coactivator fragment Descriptor: 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 Authors: le Maire, A, Bourguet, W, Guee, L. Deposit date: 2021-08-07 Release date: 2022-08-03 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.3 Å) Cite: Design and in vitro characterization of RXR variants as tools to investigate the biological role of endogenous rexinoids. J.Mol.Endocrinol., 69, 2022
1NH2	Crystal structure of a yeast TFIIA/TBP/DNA complex Descriptor: 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, ... Authors: Bleichenbacher, M, Tan, S, Richmond, T.J. Deposit date: 2002-12-18 Release date: 2003-10-21 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Novel interactions between the components of human and yeast TFIIA/TBP/DNA complexes. J.Mol.Biol., 332, 2003
1BIX	THE CRYSTAL STRUCTURE OF THE HUMAN DNA REPAIR ENDONUCLEASE HAP1 SUGGESTS THE RECOGNITION OF EXTRA-HELICAL DEOXYRIBOSE AT DNA ABASIC SITES Descriptor: AP ENDONUCLEASE 1, PLATINUM (II) ION, SAMARIUM (III) ION Authors: Gorman, M.A, Morera, S, Rothwell, D.G, De La Fortelle, E, Mol, C.D, Tainer, J.A, Hickson, I.D, Freemont, P.S. Deposit date: 1998-06-19 Release date: 1999-06-22 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.2 Å) Cite: 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
8F2Z	LSD1-CoREST in complex with AW2, short soaking Descriptor: 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) Authors: Caroli, J, Mattevi, A. Deposit date: 2022-11-09 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (3 Å) Cite: Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
8F30	LSD1-CoREST in complex with AW2, long soaking Descriptor: 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) Authors: Caroli, J, Mattevi, A. Deposit date: 2022-11-09 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (3.1 Å) Cite: Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published
8F59	LSD1-CoREST in complex with AW2 and SNAG peptide Descriptor: Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... Authors: Caroli, J, Mattevi, A. Deposit date: 2022-11-12 Release date: 2024-06-12 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1 to be published

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