8PYW
 
 | | Crystal structure of the human Nucleoside-diphosphate kinase B domain bound to compound diphosphate form of AT-9052-Sp. | | Descriptor: | GLYCEROL, Nucleoside diphosphate kinase B, [[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] dihydrogen phosphate | | Authors: | Feracci, M, Chazot, A. | | Deposit date: | 2023-07-26 | | Release date: | 2023-12-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.553 Å) | | Cite: | An exonuclease-resistant chain-terminating nucleotide analogue targeting the SARS-CoV-2 replicase complex.
Nucleic Acids Res., 52, 2024
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1YDL
 | | Crystal Structure of the Human TFIIH, Northeast Structural Genomics Target HR2045. | | Descriptor: | general transcription factor IIH, polypeptide 5 | | Authors: | Forouhar, F, Edstrom, W, Xiao, R, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2004-12-24 | | Release date: | 2005-02-08 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structure of the Human TFIIH, Northeast Structural Genomics Target HR2045.
To be Published
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6T5J
 | | Structure of NUDT15 in complex with inhibitor TH1760 | | Descriptor: | 6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Carter, M, Rehling, D, Desroses, M, Zhang, S.M, Hagenkort, A, Valerie, N.C.K, Helleday, T, Stenmark, P. | | Deposit date: | 2019-10-16 | | Release date: | 2020-07-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Development of a chemical probe against NUDT15.
Nat.Chem.Biol., 16, 2020
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6ZHU
 | | Yeast Uba1 in complex with Ubc3 and ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Ubiquitin-activating enzyme E1 1, ... | | Authors: | Misra, M, Schindelin, H. | | Deposit date: | 2020-06-23 | | Release date: | 2022-01-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.18 Å) | | Cite: | ATP induced conformational changes facilitate E1-E2 disulfide bridging in the ubiquitin system
To Be Published
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6TOQ
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6TTV
 | | Crystal structure of the human METTL3-METTL14 complex bound to Compound 3 (ASI_M3M_138) | | Descriptor: | (2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | | Deposit date: | 2019-12-30 | | Release date: | 2020-03-04 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Small-Molecule Inhibitors of METTL3, the Major Human Epitranscriptomic Writer.
Chemmedchem, 15, 2020
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1YBX
 | | Conserved hypothetical protein Cth-383 from Clostridium thermocellum | | Descriptor: | Conserved hypothetical protein, UNKNOWN ATOM OR ION | | Authors: | Tempel, W, Chang, J, Zhao, M, Habel, J, Kataeva, I, Xu, H, Chen, L, Lee, D, Nguyen, J, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Lin, D, Zhang, H, Ljundahl, L, Liu, Z.-J, Rose, J, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2004-12-21 | | Release date: | 2005-02-01 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Conserved hypothetical protein Cth-383 from Clostridium thermocellum
To be published
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6TLR
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,7-DIBROMOBENZOTRIAZOLE | | Descriptor: | 4,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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1Y0V
 | | Crystal structure of anthrax edema factor (EF) in complex with calmodulin and pyrophosphate | | Descriptor: | CALCIUM ION, Calmodulin, Calmodulin-sensitive adenylate cyclase, ... | | Authors: | Shen, Y, Zhukovskaya, N.L, Guo, Q, Florian, J, Tang, W.-J. | | Deposit date: | 2004-11-16 | | Release date: | 2005-05-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Calcium-independent calmodulin binding and two-metal-ion catalytic mechanism of anthrax edema factor
Embo J., 24, 2005
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6TLS
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,6-DIBROMOBENZOTRIAZOLE | | Descriptor: | 5,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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4NYF
 | | HIV integrase in complex with inhibitor | | Descriptor: | (2S)-tert-butoxy[4-(4-chlorophenyl)-2-methylquinolin-3-yl]ethanoic acid, CADMIUM ION, Integrase | | Authors: | Coulombe, R, Fader, L. | | Deposit date: | 2013-12-10 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1.
ACS Med Chem Lett, 5, 2014
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6T5H
 | | Human 14-3-3 sigma fused to the StARD1 peptide including phosphoserine-57 | | Descriptor: | 14-3-3 protein sigma,Steroidogenic acute regulatory protein, mitochondrial, IMIDAZOLE, ... | | Authors: | Sluchanko, N.N, Tugaeva, K.V, Titterington, J, Antson, A.A. | | Deposit date: | 2019-10-16 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Molecular basis for the recognition of steroidogenic acute regulatory protein by the 14-3-3 protein family.
Febs J., 287, 2020
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6T7F
 | | RCR E3 ligase E2-Ubiquitin transthiolation intermediate | | Descriptor: | 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide, E3 ubiquitin-protein ligase MYCBP2, Polyubiquitin-C, ... | | Authors: | Mabbitt, P.D, Virdee, S. | | Deposit date: | 2019-10-21 | | Release date: | 2020-08-05 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structural basis for RING-Cys-Relay E3 ligase activity and its role in axon integrity.
Nat.Chem.Biol., 16, 2020
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6TLL
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,5,6,7-TETRABROMOBENZOTRIAZOLE (tBBT) | | Descriptor: | 4,5,6,7-TETRABROMOBENZOTRIAZOLE, CHLORIDE ION, Casein kinase II subunit alpha, ... | | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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6TLW
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4-BROMOBENZOTRIAZOLE | | Descriptor: | 7-bromanyl-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | Deposit date: | 2019-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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2EH9
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5C4Y
 | | Crystal structure of putative TetR family transcription factor from Listeria monocytogenes | | Descriptor: | 1,2-ETHANEDIOL, Putative transcription regulator Lmo0852 | | Authors: | Chang, C, Tesar, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-06-18 | | Release date: | 2015-07-08 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Crystal structure of putative TetR family transcription factor from Listeria monocytogenes
to be published
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3T4V
 | | Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(2-napthalenemethyl)-L-cysteine | | Descriptor: | Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, GLYCEROL, ... | | Authors: | Aik, W.S, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2011-07-26 | | Release date: | 2012-03-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.732 Å) | | Cite: | Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
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1YP0
 | | Structure of the steroidogenic factor-1 ligand binding domain bound to phospholipid and a SHP peptide motif | | Descriptor: | DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor subfamily 0, group B, ... | | Authors: | Li, Y, Choi, M, Cavey, G, Daugherty, J, Suino, K, Kovach, A, Bingham, N, Kliewer, S, Xu, H. | | Deposit date: | 2005-01-28 | | Release date: | 2005-04-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystallographic identification and functional characterization of phospholipids as ligands for the orphan nuclear receptor steroidogenic factor-1.
Mol.Cell, 17, 2005
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8PIE
 | | Crystal structure of the human nucleoside diphosphate kinase B domain in complex with the product AT-8500 formed by catalysis of compound AT-9010 | | Descriptor: | GLYCEROL, Nucleoside diphosphate kinase B, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate | | Authors: | Feracci, M, Chazot, A, Ferron, F, Alvarez, K, Canard, B. | | Deposit date: | 2023-06-21 | | Release date: | 2024-07-31 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The activation cascade of the broad-spectrum antiviral bemnifosbuvir characterized at atomic resolution.
Plos Biol., 22, 2024
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3CCV
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6ACX
 | | Crystal structure of Mycobacterium smegmatis Mfd in complex with ADP + Pi at 3.5 A resolution. | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Mycobacterium smegmatis Mfd, PHOSPHATE ION, ... | | Authors: | Putta, S, Fox, G.C, Walsh, M.A, Rao, D.N, Nagaraja, V, Natesh, R. | | Deposit date: | 2018-07-27 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural basis for nucleotide-mediated remodelling mechanism of Mycobacterium Mfd
To Be Published
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3CC7
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3CCE
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3CC4
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