5QY0
 
 | | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC591 | | Descriptor: | (4R,4aS,7aS,9S)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | | Deposit date: | 2020-03-09 | | Release date: | 2020-04-08 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening
To Be Published
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6FQ7
 | | Crystal structure of ERK2 in complex with an adenosine derivative | | Descriptor: | 4-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanylbutanoic acid, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | Authors: | Gelin, M, Labesse, G. | | Deposit date: | 2018-02-13 | | Release date: | 2019-03-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | None
To be published
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6FJZ
 | | Crystal structure of ERK2 in complex with an adenosine derivative | | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)-~{N}-prop-2-ynyl-oxolane-2-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Gelin, M, Labesse, G. | | Deposit date: | 2018-01-23 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.864 Å) | | Cite: | Crystal structure of ERK2 in complex with an adenosine derivative
To be published
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3HYF
 | | Crystal structure of HIV-1 RNase H p15 with engineered E. coli loop and active site inhibitor | | Descriptor: | 2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid, ACETATE ION, GLYCEROL, ... | | Authors: | Lansdon, E.B, Kirschberg, T.A. | | Deposit date: | 2009-06-22 | | Release date: | 2009-10-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | RNase H active site inhibitors of human immunodeficiency virus type 1 reverse transcriptase: design, biochemical activity, and structural information.
J.Med.Chem., 52, 2009
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7XUX
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6FI6
 | | Crystal structure of ERK2 in complex with an adenosine derivative | | Descriptor: | (2~{R},3~{R},4~{S},5~{R})-2-(6-azanyl-8-diazanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | | Authors: | Gelin, M, Labesse, G. | | Deposit date: | 2018-01-17 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of ERK2 in complex with an adenosine derivative
To be published
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3FSS
 | | Structure of the tandem PH domains of Rtt106 | | Descriptor: | GLYCEROL, Histone chaperone RTT106, MALONIC ACID | | Authors: | Su, D, Thompson, J.R, Mer, G. | | Deposit date: | 2009-01-11 | | Release date: | 2009-12-22 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (1.432 Å) | | Cite: | Structural basis for recognition of H3K56-acetylated histone H3-H4 by the chaperone Rtt106.
Nature, 483, 2012
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5R4Z
 | | XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13605a | | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | | Authors: | Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Zhang, R, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2020-02-28 | | Release date: | 2020-05-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | XChem fragment screen
To Be Published
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5R68
 | | XChem group deposition -- Crystal Structure of human YEATS4 in complex with FM000199e | | Descriptor: | (1-methylbenzotriazol-5-yl)methanol, 1,2-ETHANEDIOL, YEATS domain-containing protein 4 | | Authors: | Raux, B, Krojer, T, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Huber, K.V.M. | | Deposit date: | 2020-02-29 | | Release date: | 2020-12-30 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | XChem group deposition
To Be Published
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3HS1
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3TDL
 | | Structure of human serum albumin in complex with DAUDA | | Descriptor: | 11-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)undecanoic acid, MYRISTIC ACID, Serum albumin | | Authors: | Wang, Y, Luo, Z, Shi, X, Wang, H, Nie, L. | | Deposit date: | 2011-08-11 | | Release date: | 2012-06-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A fluorescent fatty acid probe, DAUDA, selectively displaces two myristates bound in human serum albumin
Protein Sci., 20, 2011
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6FN5
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8BM4
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6C0P
 | | Crystal structure of HIV-1 E138K mutant reverse transcriptase in complex with non-nucleoside inhibitor 25a | | Descriptor: | 1,2-ETHANEDIOL, 4-({4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]piperidin-1-yl}methyl)benzene-1-sulfonamide, DIMETHYL SULFOXIDE, ... | | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | | Deposit date: | 2018-01-01 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
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5O8I
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3B0T
 | | Human VDR ligand binding domain in complex with maxacalcitol | | Descriptor: | (1S,3R,5Z,7E,14beta,17alpha,20S)-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-triene-1,3-diol, SULFATE ION, Vitamin D3 receptor | | Authors: | Hishiki, A, Hashimoto, H, Sato, M, Shimizu, T. | | Deposit date: | 2011-06-14 | | Release date: | 2011-08-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Human VDR ligand binding domain in complex with maxacalcitol
To be Published
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4F3T
 | | Human Argonaute-2 - miR-20a complex | | Descriptor: | PHENOL, Protein argonaute-2, RNA (5'-R(P*UP*AP*AP*AP*GP*UP*GP*CP*UP*UP*AP*UP*AP*GP*UP*G*CP*AP*GP*G)-3') | | Authors: | Elkayam, E, Kuhn, C.-D, Tocilj, A, Joshua-Tor, L. | | Deposit date: | 2012-05-09 | | Release date: | 2012-05-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Structure of Human Argonaute-2 in Complex with miR-20a.
Cell(Cambridge,Mass.), 150, 2012
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4FIP
 | | Structure of the SAGA Ubp8(S144N)/Sgf11(1-72, Delta-ZnF)/Sus1/Sgf73 DUB module | | Descriptor: | Protein SUS1, SAGA-associated factor 11, SAGA-associated factor 73, ... | | Authors: | Samara, N.L, Ringel, A.E, Wolberger, C. | | Deposit date: | 2012-06-10 | | Release date: | 2012-07-25 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.686 Å) | | Cite: | A Role for Intersubunit Interactions in Maintaining SAGA Deubiquitinating Module Structure and Activity.
Structure, 20, 2012
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6C0J
 | | Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor K-5a2 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)thieno[3,2-d]pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzene-1-sulfonamide, MAGNESIUM ION, ... | | Authors: | Yang, Y, Nguyen, L.A, Smithline, Z.B, Steitz, T.A. | | Deposit date: | 2018-01-01 | | Release date: | 2018-08-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural basis for potent and broad inhibition of HIV-1 RT by thiophene[3,2-d]pyrimidine non-nucleoside inhibitors.
Elife, 7, 2018
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3B0R
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2JQT
 | | Structure of the bacterial replication origin-associated protein Cnu | | Descriptor: | H-NS/stpA-binding protein 2 | | Authors: | Bae, S.H, Liu, D, Lim, H.M, Lee, Y, Choi, B.S. | | Deposit date: | 2007-06-07 | | Release date: | 2008-04-22 | | Last modified: | 2023-12-20 | | Method: | SOLUTION NMR | | Cite: | Structure of the nucleoid-associated protein Cnu reveals common binding sites for H-NS in Cnu and Hha.
Biochemistry, 47, 2008
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7ECV
 | | The Csy-AcrIF14 complex | | Descriptor: | AcrIF14, CRISPR type I-F/YPEST-associated protein Csy2, CRISPR-associated protein Csy3, ... | | Authors: | Zhang, L.X, Feng, Y. | | Deposit date: | 2021-03-13 | | Release date: | 2021-11-17 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.43 Å) | | Cite: | Insights into the dual functions of AcrIF14 during the inhibition of type I-F CRISPR-Cas surveillance complex.
Nucleic Acids Res., 49, 2021
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3B0W
 | | Crystal structure of the orphan nuclear receptor ROR(gamma)t ligand-binding domain in complex with digoxin | | Descriptor: | DIGOXIN, Nuclear receptor ROR-gamma | | Authors: | Fujita-Sato, S, Ito, S, Isobe, T, Ohyama, T, Wakabayashi, K, Morishita, K, Ando, O, Isono, F. | | Deposit date: | 2011-06-17 | | Release date: | 2011-07-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis of Digoxin That Antagonizes ROR{gamma}t Receptor Activity and Suppresses Th17 Cell Differentiation and Interleukin (IL)-17 Production
J.Biol.Chem., 286, 2011
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7DU0
 | | Structure of an type I-F anti-crispr protein | | Descriptor: | AcrIF14 | | Authors: | Teng, G, Yue, F. | | Deposit date: | 2021-01-07 | | Release date: | 2021-11-17 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Insights into the dual functions of AcrIF14 during the inhibition of type I-F CRISPR-Cas surveillance complex.
Nucleic Acids Res., 49, 2021
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3B0Q
 | | Human PPAR gamma ligand binding domain in complex with MCC555 | | Descriptor: | (5S)-5-({6-[(2-fluorobenzyl)oxy]naphthalen-2-yl}methyl)-1,3-thiazolidine-2,4-dione, Peroxisome proliferator-activated receptor gamma | | Authors: | Tomioka, D, Hashimoto, H, Sato, M, Shimizu, T. | | Deposit date: | 2011-06-13 | | Release date: | 2011-08-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of human PPAR gamma in complex with MCC555
To be Published
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