5AL2
 
 | | Crystal structure of TNKS2 in complex with 2-(4-(propan-2-yl)phenyl)- 1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | | Descriptor: | (2S)-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ... | | Authors: | Nkizinkiko, Y, Lehtio, L. | | Deposit date: | 2015-03-06 | | Release date: | 2015-07-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics.
Bioorg.Med.Chem., 23, 2015
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2JH7
 | | Crystal structure of Toxoplasma gondii micronemal protein 1 bound to 6'-sialyl-N-acetyllactosamine | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Blumenschein, T.M.A, Friedrich, N, Childs, R.A, Saouros, S, Carpenter, E.P, Campanero-Rhodes, M.A, Simpson, P, Koutroukides, T, Blackman, M.J, Feizi, T, Soldati-Favre, D, Matthews, S. | | Deposit date: | 2007-02-20 | | Release date: | 2007-05-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Atomic Resolution Insight Into Host Cell Recognition by Toxoplasma Gondii.
Embo J., 26, 2007
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4YPS
 | | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | | Descriptor: | 4-{6-[(3R)-3-(3-fluorophenyl)morpholin-4-yl]imidazo[1,2-b]pyridazin-3-yl}benzonitrile, High affinity nerve growth factor receptor, SULFATE ION | | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | | Deposit date: | 2015-03-13 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1012 Å) | | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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2JH1
 | | Crystal structure of Toxoplasma gondii micronemal protein 1 | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Blumenschein, T.M.A, Friedrich, N, Childs, R.A, Saouros, S, Carpenter, E.P, Campanero-Rhodes, M.A, Simpson, P, Koutroukides, T, Blackman, M.J, Feizi, T, Soldati-Favre, D, Matthews, S. | | Deposit date: | 2007-02-19 | | Release date: | 2007-05-22 | | Last modified: | 2019-01-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Atomic Resolution Insight Into Host Cell Recognition by Toxoplasma Gondii.
Embo J., 26, 2007
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6ISU
 | | Crystal structure of Lys27-linked di-ubiquitin in complex with its selective interacting protein UCHL3 | | Descriptor: | Ubiquitin, Ubiquitin carboxyl-terminal hydrolase isozyme L3 | | Authors: | Ding, S, Pan, M, Zheng, Q, Ren, Y, Hong, D. | | Deposit date: | 2018-11-19 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.866 Å) | | Cite: | Chemical Protein Synthesis Enabled Mechanistic Studies on the Molecular Recognition of K27-linked Ubiquitin Chains.
Angew. Chem. Int. Ed. Engl., 58, 2019
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7OTR
 | | Crystal structure of a psychrophilic CCA-adding enzyme determined by SAD phasing | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CCA-adding protein, ... | | Authors: | Rollet, K, de Wijn, R, Rios-Santacruz, R, Hennig, O, Betat, H, Moerl, M, Sauter, C. | | Deposit date: | 2021-06-10 | | Release date: | 2021-11-03 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | CCA-addition in the cold: Structural characterization of the psychrophilic CCA-adding enzyme from the permafrost bacterium Planococcus halocryophilus .
Comput Struct Biotechnol J, 19, 2021
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6WQ9
 | | Carbonic Anhydrase II Complexed with 3-((2-((Naphthalen-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | | Deposit date: | 2020-04-28 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.305 Å) | | Cite: | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
J.Med.Chem., 63, 2020
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6WQ8
 | | Carbonic Anhydrase II Complexed with 3-((2-((Furan-2-ylmethyl)(4-sulfamoylphenethyl)amino)-2-oxoethyl)(phenethyl)amino)propanoic acid | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Andring, J.T, Combs, J.E, Lomelino, C, McKenna, R. | | Deposit date: | 2020-04-28 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.405 Å) | | Cite: | Sulfonamide Inhibitors of Human Carbonic Anhydrases Designed through a Three-Tails Approach: Improving Ligand/Isoform Matching and Selectivity of Action.
J.Med.Chem., 63, 2020
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6GJD
 | | Erk2 signalling protein | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Mitogen-activated protein kinase 1, ... | | Authors: | O'Reilly, M. | | Deposit date: | 2018-05-16 | | Release date: | 2019-01-02 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Quantitation of ERK1/2 inhibitor cellular target occupancies with a reversible slow off-rate probe.
Chem Sci, 9, 2018
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6UUP
 | | Structure of anti-hCD33 conditional scFv | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-CD33 conditional scFv, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Kimberlin, C.R, Park, S. | | Deposit date: | 2019-10-31 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.20001864 Å) | | Cite: | Direct control of CAR T cells through small molecule-regulated antibodies.
Nat Commun, 12, 2021
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4P7B
 | | Crystal structure of S. typhimurium peptidyl-tRNA hydrolase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Peptidyl-tRNA hydrolase | | Authors: | Vandavasi, V.G, McFeeters, R.L, Taylor-Creel, K, Coates, L, McFeeters, H. | | Deposit date: | 2014-03-26 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Recombinant production, crystallization and X-ray crystallographic structure determination of peptidyl-tRNA hydrolase from Salmonella typhimurium.
Acta Crystallogr.,Sect.F, 70, 2014
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4ZT8
 | | Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a pyrimidine base, cytosine at 1.98 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-AMINOPYRIMIDIN-2(1H)-ONE, GLYCEROL, ... | | Authors: | Yamini, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2015-05-14 | | Release date: | 2015-06-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate.
Biochem Biophys Rep, 4, 2015
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4ZU0
 | | Structure of the complex of type 1 ribosome inactivating protein from Momordica balsamina with a nucleotide, cytidine monophosphate at 1.80 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ... | | Authors: | Yamin, S, Pandey, S, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2015-05-15 | | Release date: | 2015-06-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding and structural studies of the complexes of type 1 ribosome inactivating protein fromMomordica balsaminawith cytosine, cytidine, and cytidine diphosphate.
Biochem Biophys Rep, 4, 2015
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7QSM
 | | Bovine complex I in lipid nanodisc, Deactive-ligand (composite) | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ... | | Authors: | Chung, I, Bridges, H.R, Hirst, J. | | Deposit date: | 2022-01-13 | | Release date: | 2022-05-25 | | Last modified: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Cryo-EM structures define ubiquinone-10 binding to mitochondrial complex I and conformational transitions accompanying Q-site occupancy.
Nat Commun, 13, 2022
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8DQU
 | | Nanobody bound SARS-CoV-2 Nsp9 | | Descriptor: | Nanobody, Non-structural protein 9 | | Authors: | Littler, D.R, Gully, B.S, Rossjohn, J. | | Deposit date: | 2022-07-20 | | Release date: | 2023-02-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.45003176 Å) | | Cite: | Inside-out: Antibody-binding reveals potential folding hinge-points within the SARS-CoV-2 replication co-factor nsp9.
Plos One, 18, 2023
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8BDW
 | | Crystal structure of CnaB2 domain from Lactobacillus plantarum | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell surface adherence protein,collagen-binding domain, LPXTG-motif cell wall anchor, ... | | Authors: | Taberman, H, Hakanpaa, J, Linder, M.B, Aranko, A.S. | | Deposit date: | 2022-10-20 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Biomolecular Click Reactions Using a Minimal pH-Activated Catcher/Tag Pair for Producing Native-Sized Spider-Silk Proteins.
Angew.Chem.Int.Ed.Engl., 62, 2023
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8ONV
 | | KRAS-G13D in complex with BI-2493 | | Descriptor: | (7~{S})-2'-azanyl-3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4~{H}-1,2-benzoxazole-7,4'-6,7-dihydro-5~{H}-1-benzothiophene]-3'-carbonitrile, 1,2-ETHANEDIOL, GTPase KRas, ... | | Authors: | Boettcher, J, Herdeis, L. | | Deposit date: | 2023-04-04 | | Release date: | 2023-06-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.01 Å) | | Cite: | Pan-KRAS inhibitor disables oncogenic signalling and tumour growth.
Nature, 619, 2023
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4GE1
 | | Structure of the tryptamine complex of the amine binding protein of Rhodnius prolixus | | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, Biogenic amine-binding protein, GLYCEROL | | Authors: | Andersen, J.F, Chang, B.W, Xu, X, Mans, B.J, Ribeiro, J.M. | | Deposit date: | 2012-08-01 | | Release date: | 2013-01-02 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure and ligand-binding properties of the biogenic amine-binding protein from the saliva of a blood-feeding insect vector of Trypanosoma cruzi.
Acta Crystallogr.,Sect.D, 69, 2013
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1P2Q
 | | Structural consequences of accommodation of four non-cognate amino-acid residues in the S1 pocket of bovine trypsin and chymotrypsin | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Chymotrypsinogen A, Pancreatic trypsin inhibitor, ... | | Authors: | Helland, R, Czapinska, H, Leiros, I, Olufsen, M, Otlewski, J, Smalaas, A.O. | | Deposit date: | 2003-04-15 | | Release date: | 2004-04-20 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural consequences of accommodation of four non-cognate amino acid residues in the S1 pocket of bovine trypsin and chymotrypsin.
J.Mol.Biol., 333, 2003
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4TQI
 | | Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid in a dual binding mode | | Descriptor: | (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, GLYCEROL, Transthyretin | | Authors: | Stura, E.A, Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E. | | Deposit date: | 2014-06-11 | | Release date: | 2015-06-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
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4PHC
 | | Crystal Structure of a human cytosolic histidyl-tRNA synthetase, histidine-bound | | Descriptor: | GLYCEROL, HISTIDINE, Histidine--tRNA ligase, ... | | Authors: | Koh, C.Y, Wetzel, A.B, de van der Schueren, W.J, Hol, W.G.J. | | Deposit date: | 2014-05-06 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.844 Å) | | Cite: | Comparison of histidine recognition in human and trypanosomatid histidyl-tRNA synthetases.
Biochimie, 106, 2014
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2JCA
 | | Crystal structure of the streptomyces coelicolor holo- [Acyl-carrier-protein] Synthase (AcpS) at 2 A. | | Descriptor: | GLYCEROL, HOLO-[ACYL-CARRIER-PROTEIN] SYNTHASE, SODIUM ION, ... | | Authors: | Dall'Aglio, P, Arthur, C, Crump, M.P, Crosby, J, Hadfield, A.T. | | Deposit date: | 2006-12-21 | | Release date: | 2007-01-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis for Relaxed Substrate Specificity.
Biochemistry, 50, 2011
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4EM9
 | | Human PPAR gamma in complex with nonanoic acids | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | | Authors: | Liberato, M.V, Nascimento, A.S, Polikarpov, I. | | Deposit date: | 2012-04-11 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists
Plos One, 7, 2012
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2JJQ
 | | The crystal structure of Pyrococcus abyssi tRNA (uracil-54, C5)- methyltransferase in complex with S-adenosyl-L-homocysteine | | Descriptor: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, UNCHARACTERIZED RNA METHYLTRANSFERASE PYRAB10780 | | Authors: | Walbott, H, Leulliot, N, Grosjean, H, Golinelli-Pimpaneau, B. | | Deposit date: | 2008-04-17 | | Release date: | 2008-08-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Crystal Structure of Pyrococcus Abyssi tRNA (Uracil-54, C5)-Methyltransferase Provides Insights Into its tRNA Specificity.
Nucleic Acids Res., 36, 2008
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6TER
 | | Crystal structure of a galactokinase from Bifidobacterium infantis in complex with Galactose | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Keenan, T, Parmeggiani, F, Fontenelle, C.Q, Malassis, J, Vendeville, J, Offen, W.A, Both, P, Huang, K, Marchesi, A, Heyam, A, Young, C, Charnock, S, Davies, G.J, Linclau, B, Flitsch, S.L, Fascione, M.A. | | Deposit date: | 2019-11-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Profiling Substrate Promiscuity of Wild-Type Sugar Kinases for Multi-fluorinated Monosaccharides.
Cell Chem Biol, 27, 2020
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