3GSD
 
 | | 2.05 Angstrom structure of a divalent-cation tolerance protein (CutA) from Yersinia pestis | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Minasov, G, Wawrzak, Z, Skarina, T, Onopriyenko, O, Peterson, S.N, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-03-26 | | Release date: | 2009-04-07 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | 2.05 Angstrom Structure of a Divalent-cation Tolerance Protein (CutA) from Yersinia pestis
TO BE PUBLISHED
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7C44
 | | Crystal structure of the p53-binding domain of human MdmX protein in complex with Nutlin3a | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 4-({(4S,5R)-4,5-bis(4-chlorophenyl)-2-[4-methoxy-2-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-imidazol-1-yl}carbonyl)piperazin-2-one, Protein Mdm4 | | Authors: | Cheng, X.Y, Zhang, B.L, Kuang, Z.K, Yang, J, Li, Z.C, Yu, J.P, Zhao, Z.T, Cao, C.Z, Su, Z.D. | | Deposit date: | 2020-05-15 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of the p53-binding domain of human MdmX protein in complex with Nutlin3a
To Be Published
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9JKQ
 | | Cryo-EM structure of the METH-bound hTAAR1-Gs complex | | Descriptor: | (2S)-N-methyl-1-phenylpropan-2-amine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Lin, Y, Wang, J, Shi, F. | | Deposit date: | 2024-09-16 | | Release date: | 2024-10-16 | | Last modified: | 2025-07-23 | | Method: | ELECTRON MICROSCOPY (2.66 Å) | | Cite: | Molecular Mechanisms of Methamphetamine-Induced Addiction via TAAR1 Activation.
J.Med.Chem., 67, 2024
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7CAL
 | | Cryo-EM Structure of the Hyperpolarization-Activated Inwardly Rectifying Potassium Channel KAT1 from Arabidopsis | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, Potassium channel KAT1 | | Authors: | Li, S.Y, Yang, F, Sun, D.M, Zhang, Y, Zhang, M.G, Zhou, P, Liu, S.L, Zhang, Y.N, Zhang, L.H, Tian, C.L. | | Deposit date: | 2020-06-09 | | Release date: | 2020-07-29 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of the hyperpolarization-activated inwardly rectifying potassium channel KAT1 from Arabidopsis.
Cell Res., 30, 2020
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1LRY
 | | Crystal Structure of P. aeruginosa Peptide Deformylase Complexed with Antibiotic Actinonin | | Descriptor: | ACTINONIN, PEPTIDE deformylase, ZINC ION | | Authors: | Guilloteau, J.-P, Mathieu, M, Giglione, C, Blanc, V, Dupuy, A, Chevrier, M, Gil, P, Famechon, A, Meinnel, T, Mikol, V. | | Deposit date: | 2002-05-16 | | Release date: | 2002-07-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The crystal structures of four peptide deformylases bound to the antibiotic actinonin reveal two distinct types: a platform for the structure-based design of antibacterial agents.
J.Mol.Biol., 320, 2002
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8R17
 | | Crystal structure of Neurospora crassa NADase with modified C-terminus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Conidial surface nicotinamide adenine dinucleotide glycohydrolase,Conidial surface nicotinamide adenine dinucleotide glycohydrolase nadA, ... | | Authors: | Kallio, J.P, Ferrario, E, Ziegler, M. | | Deposit date: | 2023-11-01 | | Release date: | 2024-07-03 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Evolution of fungal tuberculosis necrotizing toxin (TNT) domain-containing enzymes reveals divergent adaptations to enhance NAD cleavage.
Protein Sci., 33, 2024
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6ZZW
 | | Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with Globo H (H-type 3) and CAS No 912569-62-1 | | Descriptor: | Lectin, SODIUM ION, [3-(2-methylimidazol-1-yl)phenyl]methanamine, ... | | Authors: | Lal, K, Bermeo, R, Imberty, A, Varrot, A. | | Deposit date: | 2020-08-05 | | Release date: | 2021-04-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Prediction and Validation of a Druggable Site on Virulence Factor of Drug Resistant Burkholderia cenocepacia*.
Chemistry, 27, 2021
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5FV9
 | | Crystal structure of GalNAc-T2 in complex with compound 16d | | Descriptor: | 1,2-ETHANEDIOL, GALNAC-T2, GLYCEROL, ... | | Authors: | Ghirardello, M, Rivas, M, Lacetera, A, Delso, I, Lira-Navarrete, E, Tejero, T, Martin-Santamaria, S, Hurtado-Guerrero, R, Merino, P. | | Deposit date: | 2016-02-03 | | Release date: | 2016-03-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Glycomimetics Targeting Glycosyltransferases: Synthetic, Computational and Structural Studies of Less-Polar Conjugates.
Chemistry, 22, 2016
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8W7H
 | | Purine Nucleoside Phosphorylase in complex with MMV000848 | | Descriptor: | (2R)-1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol, 1,2-ETHANEDIOL, PHOSPHATE ION, ... | | Authors: | Chung, Z, Lin, J.Q, Lescar, J. | | Deposit date: | 2023-08-30 | | Release date: | 2024-01-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Identification and structural validation of purine nucleoside phosphorylase from Plasmodium falciparum as a target of MMV000848.
J.Biol.Chem., 300, 2023
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6PCV
 | | Single Particle Reconstruction of Phosphatidylinositol (3,4,5) trisphosphate-dependent Rac exchanger 1 bound to G protein beta gamma subunits | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Phosphatidylinositol (3,4,5) trisphosphate-dependent Rac exchanger 1 | | Authors: | Cash, J.N, Cianfrocco, M.A, Tesmer, J.J.G. | | Deposit date: | 2019-06-18 | | Release date: | 2019-10-23 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-electron microscopy structure and analysis of the P-Rex1-G beta gamma signaling scaffold.
Sci Adv, 5, 2019
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6DEM
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3GM0
 | | Anti-methamphetamine single chain Fv in complex with MDMA | | Descriptor: | (2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine, anti-methamphetamine single chain Fv | | Authors: | Celikel, R, Peterson, E.C, Owens, M, Varughese, K.I. | | Deposit date: | 2009-03-12 | | Release date: | 2009-10-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structures of a therapeutic single chain antibody in complex with two drugs of abuse-Methamphetamine and 3,4-methylenedioxymethamphetamine.
Protein Sci., 18, 2009
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5BRN
 | | Human HGPRT in complex with (S)-HPEPHx, an acyclic nucleoside phosphonate | | Descriptor: | (2-{[(2S)-1-hydroxy-3-(6-oxo-1,6-dihydro-9H-purin-9-yl)propan-2-yl]oxy}ethyl)phosphonic acid, Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION | | Authors: | Keough, D.T, Guddat, L.W, Kaiser, M.M, Hockova, D, Wang, T.-H, Janeba, Z. | | Deposit date: | 2015-05-31 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.
Chemmedchem, 10, 2015
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3L8Y
 | | Complex of Ras with cyclen | | Descriptor: | 1,4,7,10-tetraazacyclododecane, CALCIUM ION, GTPase HRas, ... | | Authors: | Rosnizeck, I.C, Graf, T, Spoerner, M, Traenkle, J, Filchtinski, D, Herrmann, C, Gremer, L, Vetter, I.R, Wittinghofer, A, Koenig, B, Kalbitzer, H.R. | | Deposit date: | 2010-01-04 | | Release date: | 2011-01-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Stabilizing a weak binding state for effectors in the human ras protein by cyclen complexes
Angew.Chem.Int.Ed.Engl., 49, 2010
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7KG9
 | | Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H56W mutant with pyruvate bound in the active site and L-lysine bound at the allosteric site | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ... | | Authors: | Saran, S, Majdi Yazdi, M, Sanders, D.A.R. | | Deposit date: | 2020-10-16 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Fluorescence-based Assay Development for Screening Novel Inhibitors of Dihydrodipicolinate Synthase from Campylobacter jejuni
To Be Published
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6S0F
 | | Crystal structure of an inverting family GH156 exosialidase from uncultured bacterium pG7 in complex with 3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, GLYCEROL, ... | | Authors: | Bule, P, Blagova, E, Chuzel, L, Taron, C.H, Davies, G.J. | | Deposit date: | 2019-06-14 | | Release date: | 2019-11-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inverting family GH156 sialidases define an unusual catalytic motif for glycosidase action.
Nat Commun, 10, 2019
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5X8W
 | | Crystal Structure of the mutant Human ROR gamma Ligand Binding Domain. | | Descriptor: | Nuclear receptor ROR-gamma, Nuclear receptor coactivator 1 | | Authors: | Noguchi, M, Nomura, A, Murase, K, Doi, S, Yamaguchi, K, Adachi, T. | | Deposit date: | 2017-03-03 | | Release date: | 2017-06-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ternary complex of human ROR gamma ligand-binding domain, inverse agonist and SMRT peptide shows a unique mechanism of corepressor recruitment
Genes Cells, 22, 2017
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7KG5
 | | Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H56W mutant with pyruvate bound in the active site | | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ... | | Authors: | Saran, S, Majdi Yazdi, M, Sanders, D.A.R. | | Deposit date: | 2020-10-15 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Fluorescence-based Assay Development for Screening Novel Inhibitors of Dihydrodipicolinate Synthase from Campylobacter jejuni
To Be Published
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5BVN
 | | Fragment-based discovery of potent and selective DDR1/2 inhibitors | | Descriptor: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide | | Authors: | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | | Deposit date: | 2015-06-05 | | Release date: | 2015-08-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors.
Acs Med.Chem.Lett., 6, 2015
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5BUE
 | | ERK2 complexed with N-benzylpyridone tetrahydroazaindazole | | Descriptor: | 1-benzyl-4-[3-(pyridin-4-yl)-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]pyridin-2(1H)-one, Mitogen-activated protein kinase 1, NICKEL (II) ION | | Authors: | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | Deposit date: | 2015-06-03 | | Release date: | 2015-07-15 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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3LBF
 | | Crystal structure of Protein L-isoaspartyl methyltransferase from Escherichia coli | | Descriptor: | GLYCEROL, PHOSPHATE ION, Protein-L-isoaspartate O-methyltransferase, ... | | Authors: | Fang, P, Li, X, Wang, J, Niu, L, Teng, M. | | Deposit date: | 2010-01-08 | | Release date: | 2010-09-08 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the protein L-isoaspartyl methyltransferase from Escherichia coli
Cell Biochem.Biophys., 58, 2010
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4LUP
 | | Crystal structure of the complex formed by region of E. coli sigmaE bound to its -10 element non template strand | | Descriptor: | 1,2-ETHANEDIOL, RNA polymerase sigma factor, region 2 of sigmaE of E. coli | | Authors: | Campagne, S, Marsh, M.E, Vorholt, J.A.V, Allain, F.H.-T, Capitani, G. | | Deposit date: | 2013-07-25 | | Release date: | 2014-02-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural basis for -10 promoter element melting by environmentally induced sigma factors.
Nat.Struct.Mol.Biol., 21, 2014
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9FL6
 | | Human NUDT1 with medetomidine | | Descriptor: | 5-[(1~{R})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, ACETATE ION, Isoform p26 of Oxidized purine nucleoside triphosphate hydrolase | | Authors: | Salah, E, Huber, K.V.M, Elkins, J.M. | | Deposit date: | 2024-06-04 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | NUDT1 with medetomidine
To be published
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3GWP
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4AVA
 | | Crystal structure of protein lysine acetyltransferase Rv0998 from Mycobacterium tuberculosis | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ACETYL COENZYME *A, ... | | Authors: | Lee, H.J, Lang, P.T, Fortune, S.M, Sassetti, C.M, Alber, T. | | Deposit date: | 2012-05-24 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.698 Å) | | Cite: | Cyclic AMP Regulation of Protein Lysine Acetylation in Mycobacterium Tuberculosis.
Nat.Struct.Mol.Biol., 19, 2012
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