PDB: 5495 resultsInfo pagesStatus searchChemie searchBIRD

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6P5N	Structure of a mammalian 80S ribosome in complex with a single translocated Israeli Acute Paralysis Virus IRES and eRF1 Descriptor: 18S rRNA, 28S rRNA, 5.8S rRNA, ... Authors: Acosta-Reyes, F.J, Neupane, R, Frank, J, Fernandez, I.S. Deposit date: 2019-05-30 Release date: 2019-09-25 Last modified: 2020-01-08 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: The Israeli acute paralysis virus IRES captures host ribosomes by mimicking a ribosomal state with hybrid tRNAs. Embo J., 38, 2019
6PGC	WDR5delta32 bound to methyl benzyl(4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate Descriptor: SULFATE ION, WD repeat-containing protein 5, methyl benzyl{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate Authors: Dennis, M.L, Peat, T.S. Deposit date: 2019-06-24 Release date: 2019-12-11 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.81 Å) Cite: Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn., 6, 2019
6PK6	Human PRPF4B bound to benzothiophene inhibitor 329 Descriptor: 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog Authors: Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) Deposit date: 2019-06-28 Release date: 2019-08-28 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.1 Å) Cite: to be published To Be Published
6PA7	The cryo-EM structure of the human DNMT3A2-DNMT3B3 complex bound to nucleosome. Descriptor: CHLORIDE ION, DNA (167-MER), DNA (cytosine-5)-methyltransferase 3A, ... Authors: Xu, T.H, Liu, M, Zhou, X.E, Liang, G, Zhao, G, Xu, H.E, Melcher, K, Jones, P.A. Deposit date: 2019-06-11 Release date: 2020-06-17 Last modified: 2024-03-20 Method: ELECTRON MICROSCOPY (2.94 Å) Cite: Structure of nucleosome-bound DNA methyltransferases DNMT3A and DNMT3B. Nature, 586, 2020
6PG7	WDR5delta32 bound to (2-(3-methoxy-3-phenylpropyl)-1H-imidazol-4-yl)methanol Descriptor: DI(HYDROXYETHYL)ETHER, WD repeat-containing protein 5, {2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol Authors: Dennis, M.L, Peat, T.S. Deposit date: 2019-06-24 Release date: 2019-12-11 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn., 6, 2019
6PGD	WDR5delta32 bound to peptidomimetic Descriptor: N-acetyl-L-alanyl-5-[5-(hydroxymethyl)-1H-imidazol-2-yl]-L-norvalyl-L-valinamide, SULFATE ION, WD repeat-containing protein 5 Authors: Dennis, M.L, Peat, T.S. Deposit date: 2019-06-24 Release date: 2019-12-11 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn., 6, 2019
4XW3	Crystal structure of the SPRY domain of the human DEAD-box protein DDX1 Descriptor: ATP-dependent RNA helicase DDX1 Authors: Kellner, J.N, Meinhart, A. Deposit date: 2015-01-28 Release date: 2015-09-09 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of the SPRY domain of the human RNA helicase DDX1, a putative interaction platform within a DEAD-box protein. Acta Crystallogr.,Sect.F, 71, 2015
6PF4	Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)phenyl)acetic acid Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase, [2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)phenyl]acetic acid Authors: Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. Deposit date: 2019-06-21 Release date: 2019-10-02 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.854 Å) Cite: Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
6P05	Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with compound 27 Descriptor: Bromodomain-containing protein 4, GLYCEROL, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide Authors: Ratia, K.M, Xiong, R, Li, Y, Zhao, J, Gutgesell, L.M, Shen, Z, Dye, K, Dubrovyskyii, O, Zhao, H, Huang, F, Tonetti, D.A, Thatcher, G.R. Deposit date: 2019-05-16 Release date: 2020-05-20 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib. J.Med.Chem., 63, 2020
4Y03	Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid Descriptor: 2-HYDROXYBENZOIC ACID, CITRIC ACID, Protein polybromo-1 Authors: Filippakopoulos, P, Picaud, S, Felletar, I, Fedorov, O, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2015-02-05 Release date: 2015-05-20 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.94 Å) Cite: Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid To Be Published
4XY9	Crystal Structure of the first bromodomain of human BRD4 in complex with a 2-amine-9H-purine ligand Descriptor: 1,2-ETHANEDIOL, 6-(5-bromo-2-methoxyphenyl)-9H-purin-2-amine, Bromodomain-containing protein 4 Authors: Picaud, S, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) Deposit date: 2015-02-02 Release date: 2015-03-11 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.83 Å) Cite: 9H-Purine Scaffold Reveals Induced-Fit Pocket Plasticity of the BRD9 Bromodomain. J.Med.Chem., 58, 2015
6PG6	WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acetamide Descriptor: CHLORIDE ION, N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}acetamide, SULFATE ION, ... Authors: Dennis, M.L, Peat, T.S. Deposit date: 2019-06-24 Release date: 2019-12-11 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn., 6, 2019
6P9V	Crystal Structure of hMAT Mutant K289L Descriptor: ADENOSINE, MAGNESIUM ION, POTASSIUM ION, ... Authors: Miller, M.D, Xu, W, Huber, T.D, Clinger, J.A, Liu, Y, Thorson, J.S, Phillips Jr, G.N. Deposit date: 2019-06-10 Release date: 2020-04-22 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.051 Å) Cite: Methionine Adenosyltransferase Engineering to Enable Bioorthogonal Platforms for AdoMet-Utilizing Enzymes. Acs Chem.Biol., 15, 2020
8C14	Aurora A kinase in complex with TPX2-inhibitor 9 Descriptor: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-cyano-phenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... Authors: Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. Deposit date: 2022-12-20 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (1.93 Å) Cite: Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
8C1D	Aurora A kinase in complex with TPX2-inhibitor 9 Descriptor: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... Authors: Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. Deposit date: 2022-12-20 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (2.115 Å) Cite: Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
8C1H	Aurora A kinase in complex with TPX2-inhibitor 8 Descriptor: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chloranyl-3-pyrazin-2-yloxy-phenyl)-~{N}-(dimethylsulfamoyl)-7-methyl-1~{H}-indole-6-carboxamide, ACETATE ION, ... Authors: Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. Deposit date: 2022-12-20 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (2.233 Å) Cite: Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
6PF3	Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-(4-((2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl)benzamido)-4-chlorobenzoic acid Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-({4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)-4-chlorobenzoic acid, Thymidylate synthase Authors: Czyzyk, D.J, Valhondo, M, Jorgensen, W.L, Anderson, K.S. Deposit date: 2019-06-21 Release date: 2019-10-02 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.391 Å) Cite: Structure activity relationship towards design of cryptosporidium specific thymidylate synthase inhibitors. Eur.J.Med.Chem., 183, 2019
8C11	BRD4 in complex with 2-(2-(4-(3,5-dimethylisoxazol-4-yl)-1H-pyrazol-1-yl)acetamido)-N-ethylpropanamide Descriptor: (2~{S})-2-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazol-1-yl]ethanoylamino]-~{N}-ethyl-propanamide, Bromodomain-containing protein 4 Authors: Martin, M.P, Noble, M.E.N. Deposit date: 2022-12-19 Release date: 2023-12-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: BRD4 complex with compound 22 To Be Published
6PGF	WDR5delta32 bound to N-(4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acrylamide Descriptor: N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide, SULFATE ION, WD repeat-containing protein 5 Authors: Dennis, M.L, Peat, T.S. Deposit date: 2019-06-24 Release date: 2019-12-11 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Fragment screening for a protein-protein interaction inhibitor to WDR5. Struct Dyn., 6, 2019
5U2E	BRD4 first bromodomain (BD1) in complex with dual PI3 kinase (PI3K) inhibitor SF2535 Descriptor: Bromodomain-containing protein 4, ethyl 4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]benzoate Authors: Andrews, F.H, Kutateladze, T.G. Deposit date: 2016-11-30 Release date: 2017-02-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.991 Å) Cite: Dual-activity PI3K-BRD4 inhibitor for the orthogonal inhibition of MYC to block tumor growth and metastasis. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6P5K	Structure of a mammalian 80S ribosome in complex with the Israeli Acute Paralysis Virus IRES (Class 3) Descriptor: 18S rRNA, 28S rRNA, 5.8S rRNA, ... Authors: Acosta-Reyes, F.J, Neupane, R, Frank, J, Fernandez, I.S. Deposit date: 2019-05-30 Release date: 2019-09-18 Last modified: 2020-01-08 Method: ELECTRON MICROSCOPY (3.1 Å) Cite: The Israeli acute paralysis virus IRES captures host ribosomes by mimicking a ribosomal state with hybrid tRNAs. Embo J., 38, 2019
8C5L	NR2F6 ligand binding domain in complex with NSD1 peptide Descriptor: Histone-lysine N-methyltransferase, H3 lysine-36 specific, Maltose/maltodextrin-binding periplasmic protein,Nuclear receptor subfamily 2 group F member 6, ... Authors: Oerlemans, G.J.M, van den Oetelaar, M.C.M, Brunsveld, L. Deposit date: 2023-01-09 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Structural insights into coregulator recruitment to the autorepressed NR2F6 nuclear receptor To Be Published
8C15	Aurora A kinase in complex with TPX2-inhibitor 3 Descriptor: (1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid, 4-(4-chlorophenyl)-1~{H}-indole-6-carboxylic acid, ACETATE ION, ... Authors: Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. Deposit date: 2022-12-20 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (2.41 Å) Cite: Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agents To be published
8C1M	Aurora A kinase in complex with TPX2-inhibitor 2 Descriptor: 3-oxidanyl-5-[4-(trifluoromethyloxy)phenyl]benzoic acid, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... Authors: Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. Deposit date: 2022-12-20 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (2.84 Å) Cite: Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published
8C1E	Aurora A kinase in complex with TPX2-inhibitor 9 Descriptor: 4-(4-chloranyl-3-cyano-phenyl)-7-methyl-1~{H}-indole-6-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ... Authors: Fischer, G, Rocaboy, M, Blaszczyk, B, Moschetti, T, Wang, X, Scott, D.E, Coyne, A.G, Dagostin, C, Rooney, T, Bayly, A, Feng, J, Asteian, A, Alcaide-Lopez, A, Stockwell, S, Skidmore, J, Venkitaraman, A.R, Abell, C, Blundell, T.L, Hyvonen, M. Deposit date: 2022-12-20 Release date: 2024-01-10 Method: X-RAY DIFFRACTION (2.798 Å) Cite: Selective inhibitors of the Aurora A-TPX2 protein-protein interaction exhibit in vivo efficacy as targeted anti-mitotic agent To Be Published

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