6MOB
 
 | | Crystal structure of KIT1 in complex with DP2976 via co-crystallization | | Descriptor: | Mast/stem cell growth factor receptor Kit, N-{4-chloro-5-[1-ethyl-7-(methylamino)-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl]-2-fluorophenyl}-N'-phenylurea, NITRATE ION | | Authors: | Edwards, T.E, Abendroth, J, Safford, K, Chun, L. | | Deposit date: | 2018-10-04 | | Release date: | 2019-07-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Ripretinib (DCC-2618) Is a Switch Control Kinase Inhibitor of a Broad Spectrum of Oncogenic and Drug-Resistant KIT and PDGFRA Variants.
Cancer Cell, 35, 2019
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7OWU
 | | HsNMT1 in complex with both CoA and Myr-ANCFSKPR peptide | | Descriptor: | ALA-ASN-CYS-PHE-SER-LYS-PRO-ARG, COENZYME A, GLYCEROL, ... | | Authors: | Dian, C, Giglione, C, Meinnel, T. | | Deposit date: | 2021-06-18 | | Release date: | 2022-12-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural and Large-scale Analysis Unveil the Intertwined Paths Promoting NMT-catalyzed Lysine and Glycine Myristoylation.
J.Mol.Biol., 434, 2022
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7OWM
 | | HsNMT1 in complex with both MyrCoA and HCPA substrate peptide GKQNSKLR | | Descriptor: | GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, Neuron-specific calcium-binding protein hippocalcin, ... | | Authors: | Dian, C, Giglione, C, Meinnel, T. | | Deposit date: | 2021-06-18 | | Release date: | 2022-12-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and Large-scale Analysis Unveil the Intertwined Paths Promoting NMT-catalyzed Lysine and Glycine Myristoylation.
J.Mol.Biol., 434, 2022
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7OWP
 | | HsNMT1 in complex with both MyrCoA and ACE-G-(L-ORN)SFSKPR | | Descriptor: | ACE-GLY-ORN-SER-PHE-SER-LYS-PRO-ARG, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... | | Authors: | Dian, C, Giglione, C, Meinnel, T. | | Deposit date: | 2021-06-18 | | Release date: | 2022-12-21 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Structural and Large-scale Analysis Unveil the Intertwined Paths Promoting NMT-catalyzed Lysine and Glycine Myristoylation.
J.Mol.Biol., 434, 2022
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8OGO
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry A12 | | Descriptor: | 3-(propan-2-yl)-1,2,4-oxadiazol-5(4H)-one, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Last modified: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Crystallographic fragment screen of the c-di-AMP-synthesizing enzyme CdaA from Bacillus subtilis.
Acta Crystallogr.,Sect.F, 80, 2024
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8OGS
 | | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry B08 | | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate | | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | | Deposit date: | 2023-03-20 | | Release date: | 2024-03-27 | | Last modified: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Crystallographic fragment screen of the c-di-AMP-synthesizing enzyme CdaA from Bacillus subtilis.
Acta Crystallogr.,Sect.F, 80, 2024
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5MMY
 | | Crystal structure of OXA10 with HEPES | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase OXA-10, ... | | Authors: | Brem, J. | | Deposit date: | 2016-12-12 | | Release date: | 2017-07-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | (13)C-Carbamylation as a mechanistic probe for the inhibition of class D beta-lactamases by avibactam and halide ions.
Org. Biomol. Chem., 15, 2017
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6GO1
 | | Crystal Structure of a Bacillus anthracis peptidoglycan deacetylase | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Polysaccharide deacetylase-like protein, ... | | Authors: | Giastas, P, Andreou, A, Eliopoulos, E.E. | | Deposit date: | 2018-06-01 | | Release date: | 2019-04-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | The putative polysaccharide deacetylase Ba0331: cloning, expression, crystallization and structure determination.
Acta Crystallogr.,Sect.F, 75, 2019
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8ID0
 | | Crystal structure of PflD bound to 1,5-anhydromannitol-6-phosphate in Streptococcus dysgalactiae subsp. equisimilis | | Descriptor: | [(2R,3S,4R,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate, formate C-acetyltransferase | | Authors: | Ma, K.L, Zhang, Y. | | Deposit date: | 2023-02-11 | | Release date: | 2024-10-02 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | A Widespread Radical-Mediated Glycolysis Pathway.
J.Am.Chem.Soc., 146, 2024
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9FVG
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7APG
 | | Crystal structure of JAK3 in complex with FM587 (compound 9a) | | Descriptor: | 1,2-ETHANEDIOL, 1-phenylurea, Tyrosine-protein kinase JAK3, ... | | Authors: | Chaikuad, A, Forster, M, Gehringer, M, Laufer, S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-10-16 | | Release date: | 2020-12-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a Novel Class of Covalent Dual Inhibitors Targeting the Protein Kinases BMX and BTK.
Int J Mol Sci, 21, 2020
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9D6B
 | | Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-607 | | Descriptor: | 2-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2024-08-14 | | Release date: | 2025-05-21 | | Last modified: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
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6Y2T
 | | Streptavidin wildtype with a biotC4-1 cofactor - an artificial iron hydroxylase | | Descriptor: | GLYCEROL, Streptavidin, biotC4-1 cofactor | | Authors: | Serrano-Plana, J, Rumo, C, Rebelein, J.G, Peterson, R.L, Barnet, M, Ward, T.R. | | Deposit date: | 2020-02-17 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Enantioselective Hydroxylation of Benzylic C(sp3)-H Bonds by an Artificial Iron Hydroxylase Based on the Biotin-Streptavidin Technology.
J.Am.Chem.Soc., 142, 2020
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9D6H
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-1504 | | Descriptor: | (2R)-3-methyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2024-08-15 | | Release date: | 2025-05-21 | | Last modified: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
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6E66
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9D6G
 | | Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-3716 | | Descriptor: | DIMETHYL SULFOXIDE, Non-structural protein 3, [(2R,3S)-3-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol | | Authors: | Correy, G.J, Fraser, J.S. | | Deposit date: | 2024-08-15 | | Release date: | 2025-05-21 | | Last modified: | 2025-06-11 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
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9G1S
 | | Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry H01 | | Descriptor: | 1,2-ETHANEDIOL, Fosfomycin resistance protein, MANGANESE (II) ION, ... | | Authors: | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | Deposit date: | 2024-07-10 | | Release date: | 2025-07-23 | | Last modified: | 2025-10-22 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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7PD5
 | | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with 4-aminobenzoic acid | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-AMINOBENZOIC ACID, CHLORIDE ION, ... | | Authors: | Silva, A, Nunes-Costa, D, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | | Deposit date: | 2021-08-04 | | Release date: | 2023-02-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with 4-aminobenzoic acid
To Be Published
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6Q1Q
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4QSH
 | | Crystal Structure of L. monocytogenes Pyruvate Carboxylase in complex with Cyclic-di-AMP | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CITRATE ANION, MANGANESE (II) ION, ... | | Authors: | Choi, P.H, Tong, L. | | Deposit date: | 2014-07-04 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | The Cyclic Dinucleotide c-di-AMP Is an Allosteric Regulator of Metabolic Enzyme Function.
Cell(Cambridge,Mass.), 158, 2014
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6YPE
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6PU9
 | | Crystal Structure of the Type B Chloramphenicol O-Acetyltransferase from Vibrio vulnificus | | Descriptor: | 1,2-ETHANEDIOL, Acetyltransferase, CHLORIDE ION | | Authors: | Kim, Y, Maltseva, N, Mulligan, R, Grimshaw, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-07-17 | | Release date: | 2019-08-14 | | Last modified: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural genomics of bacterial drug targets: Application of a high-throughput pipeline to solve 58 protein structures from pathogenic and related bacteria.
Microbiol Resour Announc, 2025
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9G1I
 | | Fragment screening of FosAKP, cryo structure, ground state | | Descriptor: | 1,2-ETHANEDIOL, Fosfomycin resistance protein, MANGANESE (II) ION | | Authors: | Guenther, S, Galchenkova, M, Fischer, P, Reinke, P.Y.A, Falke, S, Thekku Veedu, S, Rodrigues, A.C, Senst, J, Meents, A. | | Deposit date: | 2024-07-10 | | Release date: | 2025-07-23 | | Last modified: | 2025-10-22 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Room-temperature X-ray fragment screening with serial crystallography.
Nat Commun, 16, 2025
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8OXG
 | | Crystal structure of human methionine aminopeptidase-2 complexed with (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]oct-6-yl N-(trans-4-aminocyclohexyl)carbamate | | Descriptor: | MANGANESE (II) ION, Methionine aminopeptidase 2, [(1~{R},2~{S},3~{S},4~{R})-2-methoxy-4-methyl-3-[(2~{R},3~{S})-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-4-oxidanyl-cyclohexyl] ~{N}-(4-azanylcyclohexyl)carbamate | | Authors: | Moss, S, Cornelius, P. | | Deposit date: | 2023-05-02 | | Release date: | 2024-04-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.731 Å) | | Cite: | Pharmacological Characterization of SDX-7320/Evexomostat: A Novel Methionine Aminopeptidase Type 2 Inhibitor with Anti-tumor and Anti-metastatic Activity.
Mol.Cancer Ther., 23, 2024
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6GHR
 | | cyanobacterial GAPDH with full-length CP12 | | Descriptor: | CP12 polypeptide, Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | McFarlane, C.R, Murray, J.W. | | Deposit date: | 2018-05-08 | | Release date: | 2019-05-08 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.249 Å) | | Cite: | Structural basis of light-induced redox regulation in the Calvin-Benson cycle in cyanobacteria.
Proc.Natl.Acad.Sci.USA, 116, 2019
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