5WJE
 
 | | Crystal structure of Naa80 bound to a bisubstrate analogue | | Descriptor: | Actin N-terminus peptide, CARBOXYMETHYL COENZYME *A, CG8481, ... | | Authors: | Goris, M, Magin, R.S, Marmorstein, R, Arnesen, T. | | Deposit date: | 2017-07-21 | | Release date: | 2018-03-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.765 Å) | | Cite: | Structural determinants and cellular environment define processed actin as the sole substrate of the N-terminal acetyltransferase NAA80.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2WHO
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5VKO
 | | SPT6 tSH2-RPB1 1468-1500 pT1471, pS1493 | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, ISOPROPYL ALCOHOL, Transcription elongation factor SPT6 | | Authors: | Sdano, M.A, Whitby, F.G, Hill, C.P. | | Deposit date: | 2017-04-21 | | Release date: | 2017-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A novel SH2 recognition mechanism recruits Spt6 to the doubly phosphorylated RNA polymerase II linker at sites of transcription.
Elife, 6, 2017
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8P1O
 | | Solubilizer tag effect on PD-L1/inhibitor binding properties for m-terphenyl derivatives | | Descriptor: | (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide, CHLORIDE ION, Programmed cell death 1 ligand 1, ... | | Authors: | Plewka, J, Magiera-Mularz, K, Surmiak, E, Kalinowska-Tluscik, J, Holak, T.A. | | Deposit date: | 2023-05-12 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives.
Acs Med.Chem.Lett., 15, 2024
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2XK4
 | | Structure of Nek2 bound to aminopyrazine compound 17 | | Descriptor: | 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | | Authors: | Mas-Droux, C, Bayliss, R. | | Deposit date: | 2010-07-07 | | Release date: | 2010-10-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
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5JDD
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5JDJ
 | | Crystal structure of domain I10 from titin in space group P212121 | | Descriptor: | CALCIUM ION, Titin | | Authors: | Williams, R, Bogomolovas, J, Labiet, S, Mayans, O. | | Deposit date: | 2016-04-16 | | Release date: | 2016-08-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.738 Å) | | Cite: | Exploration of pathomechanisms triggered by a single-nucleotide polymorphism in titin's I-band: the cardiomyopathy-linked mutation T2580I.
Open Biology, 6, 2016
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2XK7
 | | Structure of Nek2 bound to aminopyrazine compound 23 | | Descriptor: | (3R,4R)-1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-3-ethylpiperidine-4-carboxylic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | | Authors: | Mas-Droux, C, Bayliss, R. | | Deposit date: | 2010-07-07 | | Release date: | 2010-10-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.992 Å) | | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
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2XKD
 | | Structure of Nek2 bound to aminopyrazine compound 12 | | Descriptor: | 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]benzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | | Authors: | Mas-Droux, C, Bayliss, R. | | Deposit date: | 2010-07-07 | | Release date: | 2010-10-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
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2XKE
 | | Structure of Nek2 bound to Aminipyrazine Compound 5 | | Descriptor: | 1-[3-amino-6-(3-methoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | | Authors: | Mas-Droux, C, Bayliss, R. | | Deposit date: | 2010-07-07 | | Release date: | 2010-11-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.203 Å) | | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
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2XKF
 | | Structure of Nek2 bound to aminopyrazine compound 2 | | Descriptor: | 1-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]piperidine-4-carboxylic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | | Authors: | Mas-Droux, C, Bayliss, R. | | Deposit date: | 2010-07-07 | | Release date: | 2010-10-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
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8R6Q
 | | Co-crystal structure of PD-L1 with low molecular weight inhibitor | | Descriptor: | (3~{R})-1-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methyl]-~{N}-(2-hydroxyethyl)pyrrolidine-3-carboxamide, CHLORIDE ION, Programmed cell death 1 ligand 1, ... | | Authors: | Plewka, J, Surmiak, E, Magiera-Mularz, K, Kalinowska-Tluscik, J. | | Deposit date: | 2023-11-22 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Solubilizer Tag Effect on PD-L1/Inhibitor Binding Properties for m -Terphenyl Derivatives.
Acs Med.Chem.Lett., 15, 2024
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2XKC
 | | Structure of Nek2 bound to aminopyrazine compound 14 | | Descriptor: | 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methylbenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | | Authors: | Mas-Droux, C, Bayliss, R. | | Deposit date: | 2010-07-07 | | Release date: | 2010-10-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
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7BLY
 | | Structure of the chitin deacetylase AngCDA from Aspergillus niger | | Descriptor: | Aspergillus niger contig An12c0130, genomic contig, CHLORIDE ION, ... | | Authors: | Roret, T, Bonin, M, Hembach, L, Moerschbacher, B.M. | | Deposit date: | 2021-01-19 | | Release date: | 2021-09-22 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | In silico and in vitro analysis of an Aspergillus niger chitin deacetylase to decipher its subsite sugar preferences.
J.Biol.Chem., 297, 2021
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2XK3
 | | Structure of Nek2 bound to Aminopyrazine compound 35 | | Descriptor: | 4-[3-AMINO-6-(3-ETHYLTHIOPHEN-2-YL)PYRAZIN-2-YL]CYCLOHEXANE-1-CARBOXYLIC ACID, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | | Authors: | Mas-Droux, C, Bayliss, R. | | Deposit date: | 2010-07-07 | | Release date: | 2010-10-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
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3DJW
 | | The thermo- and acido-stable ORF-99 from the archaeal virus AFV1 | | Descriptor: | ORF99 | | Authors: | Goulet, A, Spinelli, S, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V. | | Deposit date: | 2008-06-24 | | Release date: | 2009-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | The thermo- and acido-stable ORF-99 from the archaeal virus AFV1
Protein Sci., 18, 2009
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3L0T
 | | Crystal structure of catalytic domain of TACE with hydantoin inhibitor | | Descriptor: | Disintegrin and metalloproteinase domain-containing protein 17, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | Authors: | Orth, P. | | Deposit date: | 2009-12-10 | | Release date: | 2010-03-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Discovery and SAR of hydantoin TACE inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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6I9R
 | | Large subunit of the human mitochondrial ribosome in complex with Virginiamycin M and Quinupristin | | Descriptor: | 16S rRNA, 39S ribosomal protein L10, mitochondrial, ... | | Authors: | Modelska, A, Aibara, S, Amunts, A. | | Deposit date: | 2018-11-25 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Inhibition of mitochondrial translation suppresses glioblastoma stem cell growth.
Cell Rep, 35, 2021
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2XK8
 | | Structure of Nek2 bound to aminopyrazine compound 15 | | Descriptor: | 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-methoxybenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | | Authors: | Mas-Droux, C, Bayliss, R. | | Deposit date: | 2010-07-07 | | Release date: | 2010-10-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
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2XK6
 | | Structure of Nek2 bound to aminopyrazine compound 36 | | Descriptor: | CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2, cis-4-[3-amino-6-(3-cyclopropylthiophen-2-yl)pyrazin-2-yl]cyclohexanecarboxylic acid | | Authors: | Mas-Droux, C, Bayliss, R. | | Deposit date: | 2010-07-07 | | Release date: | 2010-10-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization.
J.Med.Chem., 53, 2010
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2GWX
 | | MOLECULAR RECOGNITION OF FATTY ACIDS BY PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS | | Descriptor: | PROTEIN (PPAR-DELTA) | | Authors: | Xu, H.E, Lambert, M.H, Montana, V.G, Park, D.J, Blanchard, S, Brown, P, Sternbach, D, Lehmann, J, Bruce, G.W, Willson, T.M, Kliewer, S.A, Milburn, M.V. | | Deposit date: | 1999-03-11 | | Release date: | 2000-03-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular recognition of fatty acids by peroxisome proliferator-activated receptors.
Mol.Cell, 3, 1999
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3DF6
 | | The thermo- and acido-stable ORF-99 from the archaeal virus AFV1 | | Descriptor: | CALCIUM ION, ORF99 | | Authors: | Goulet, A, Spinelli, S, Prangishvili, D, van Tilbeurgh, H, Cambillau, C, Campanacci, V. | | Deposit date: | 2008-06-11 | | Release date: | 2009-06-16 | | Last modified: | 2021-11-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The thermo- and acido-stable ORF-99 from the archaeal virus AFV1
Protein Sci., 18, 2009
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4QL8
 | | Crystal structure of Androgen Receptor in complex with the ligand | | Descriptor: | 2-chloro-4-[(3S,3aS,4S)-4-hydroxy-3-methoxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-3-methylbenzonitrile, Androgen receptor | | Authors: | Krishnamurthy, N, Sangeetha, R, Ghadiyaram, C, Sasmal, S, Subramanya, H.S. | | Deposit date: | 2014-06-11 | | Release date: | 2015-06-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration
J.Med.Chem., 57, 2014
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5FHA
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5TR4
 | | Structure of Ubiquitin activating enzyme (Uba1) in complex with ubiquitin and TAK-243 | | Descriptor: | Ubiquitin, Ubiquitin-activating enzyme E1 1, [(1~{R},2~{R},3~{S},4~{R})-2,3-bis(oxidanyl)-4-[[2-[3-(trifluoromethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]methyl sulfamate | | Authors: | Sintchak, M.D. | | Deposit date: | 2016-10-25 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification and Characterization of a Small Molecule Inhibitor of the Ubiquitin Activating Enzyme (TAK-243)
To be published
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