2IMT
 
 | | The X-ray Structure of a Bak Homodimer Reveals an Inhibitory Zinc Binding Site | | Descriptor: | Apoptosis regulator BAK, ZINC ION | | Authors: | Moldoveanu, T, Liu, Q, Tocilj, A, Watson, M, Shore, G.C, Gehring, K.B. | | Deposit date: | 2006-10-04 | | Release date: | 2007-01-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | The X-ray structure of a BAK homodimer reveals an inhibitory zinc binding site.
Mol.Cell, 24, 2006
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4REV
 | | Structure of the dirigent protein DRR206 | | Descriptor: | 2,3-DIMETHYLIMIDAZOLIUM ION, CHLORIDE ION, Disease resistance response protein 206, ... | | Authors: | Kim, K.-Y, Smith, C.A, Merkley, E.D, Cort, J.R, Davin, L.B, Lewis, N.G. | | Deposit date: | 2014-09-24 | | Release date: | 2014-11-26 | | Last modified: | 2015-02-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Trimeric Structure of (+)-Pinoresinol-forming Dirigent Protein at 1.95 angstrom Resolution with Three Isolated Active Sites.
J.Biol.Chem., 290, 2015
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7T38
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7TBE
 | | Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide, Plasmepsin X, ... | | Authors: | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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4RFL
 | | Crystal structure of G1PDH with NADPH from Methanocaldococcus jannaschii | | Descriptor: | 1,2-ETHANEDIOL, Glycerol-1-phosphate dehydrogenase [NAD(P)+], NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Carbone, V, Ronimus, R.S, Schofield, L.R, Sutherland-Smith, A.J. | | Deposit date: | 2014-09-26 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Evolution of the Archaeal Lipid Synthesis Enzyme sn-Glycerol-1-phosphate Dehydrogenase.
J.Biol.Chem., 290, 2015
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5KQR
 | | Structure of NS5 methyltransferase from Zika virus bound to S-adenosylmethionine | | Descriptor: | CHLORIDE ION, Methyltransferase, PHOSPHATE ION, ... | | Authors: | Jain, R, Coloma, J, Rajashankar, K.R, Aggarwal, A.K. | | Deposit date: | 2016-07-06 | | Release date: | 2016-09-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.331 Å) | | Cite: | Structures of NS5 Methyltransferase from Zika Virus.
Cell Rep, 16, 2016
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3EPO
 | | Crystal structure of Caulobacter crescentus ThiC complexed with HMP-P | | Descriptor: | (4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE, Thiamine biosynthesis protein thiC | | Authors: | Li, S, Chatterjee, A, Zhang, Y, Grove, T.L, Lee, M, Krebs, C, Booker, S.J, Begley, T.P, Ealick, S.E. | | Deposit date: | 2008-09-29 | | Release date: | 2008-10-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Reconstitution of ThiC in thiamine pyrimidine biosynthesis expands the radical SAM superfamily
Nat.Chem.Biol., 4, 2008
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7T37
 | | Activated state of 2-APB and CBD-bound wildtype rat TRPV2 in nanodiscs | | Descriptor: | 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2, cannabidiol | | Authors: | Pumroy, R.A, Protopopova, A.D, Gallo, P.N, Moiseenkova-Bell, V.Y. | | Deposit date: | 2021-12-07 | | Release date: | 2022-05-04 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural insights into TRPV2 activation by small molecules.
Nat Commun, 13, 2022
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1TC2
 | | TERNARY SUBSTRATE COMPLEX OF THE HYPOXANTHINE PHOSPHORIBOSYLTRANSFERASE FROM TRYPANOSOMA CRUZI | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE, MAGNESIUM ION, ... | | Authors: | Focia, P.J, Craig III, S.P, Eakin, A.E. | | Deposit date: | 1998-11-04 | | Release date: | 2000-03-08 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Approaching the transition state in the crystal structure of a phosphoribosyltransferase.
Biochemistry, 37, 1998
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2IWD
 | | Oxacilloyl-acylated MecR1 extracellular antibiotic-sensor domain. | | Descriptor: | (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, Methicillin resistance mecR1 protein | | Authors: | Marrero, A, Mallorqui-Fernandez, G, Guevara, T, Garcia-Castellanos, R, Gomis-Ruth, F.X. | | Deposit date: | 2006-06-27 | | Release date: | 2006-07-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Unbound and Acylated Structures of the Mecr1 Extracellular Antibiotic-Sensor Domain Provide Insights Into the Signal-Transduction System that Triggers Methicillin Resistance.
J.Mol.Biol., 361, 2006
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7T9Z
 | | Human Ornithine Aminotransferase (hOAT) crystallized at pH 6.0 | | Descriptor: | Ornithine aminotransferase, mitochondrial, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Butrin, A, Liu, D. | | Deposit date: | 2021-12-20 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Determination of the pH dependence, substrate specificity, and turnovers of alternative substrates for human ornithine aminotransferase.
J.Biol.Chem., 298, 2022
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6PV7
 | | Human alpha3beta4 nicotinic acetylcholine receptor in complex with nicotine | | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gharpure, A, Teng, J, Zhuang, Y, Noviello, C.M, Walsh, R.M, Cabuco, R, Howard, R.J, Zaveri, N.T, Lindahl, E, Hibbs, R.E. | | Deposit date: | 2019-07-19 | | Release date: | 2019-09-11 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Agonist Selectivity and Ion Permeation in the alpha 3 beta 4 Ganglionic Nicotinic Receptor.
Neuron, 104, 2019
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6PVN
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6J7O
 | | Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q from Mycobacterium tuberculosis | | Descriptor: | MAGNESIUM ION, guanylyltransferase-like toxin | | Authors: | Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S. | | Deposit date: | 2019-01-18 | | Release date: | 2020-05-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
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4R1V
 | | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors | | Descriptor: | 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor | | Authors: | Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O. | | Deposit date: | 2014-08-07 | | Release date: | 2015-03-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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1T9K
 | | X-ray crystal structure of aIF-2B alpha subunit-related translation initiation factor [Thermotoga maritima] | | Descriptor: | CHLORIDE ION, Probable methylthioribose-1-phosphate isomerase, SULFATE ION | | Authors: | Osipiuk, J, Skarina, T, Savchenko, A, Edwards, A, Cymborowski, M, Minor, W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-05-17 | | Release date: | 2004-06-08 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-ray crystal structure of aIF-2B translation initiation factor from Thermotoga maritima
To be Published
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4R23
 | | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with dicloxacillin | | Descriptor: | (3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl} -5-methyl-1,2-oxazolidine-4-carboxamide, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, ... | | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-08-08 | | Release date: | 2014-09-17 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with dicloxacillin
To be Published
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7TBD
 | | Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382 | | Descriptor: | (4R)-4-[(2E)-4,4-diethyl-2-imino-6-oxo-1,3-diazinan-1-yl]-N-[(4S)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,4-dihydro-2H-1-benzopyran-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Hodder, A.N, Christensen, J.B, Scally, S.W, Cowman, A.F. | | Deposit date: | 2021-12-21 | | Release date: | 2022-05-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Basis for drug selectivity of plasmepsin IX and X inhibition in Plasmodium falciparum and vivax.
Structure, 30, 2022
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3ZSG
 | | X-ray structure of p38alpha bound to TAK-715 | | Descriptor: | MITOGEN-ACTIVATED PROTEIN KINASE 14, TAK-715, octyl beta-D-glucopyranoside | | Authors: | Azevedo, R, van Zeeland, M, Raaijmakers, H, Kazemier, B, Oubrie, A. | | Deposit date: | 2011-06-28 | | Release date: | 2012-06-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | X-ray structure of p38 alpha bound to TAK-715: comparison with three classic inhibitors.
Acta Crystallogr. D Biol. Crystallogr., 68, 2012
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1TC6
 | | Ligand Induced Conformational Shift in the N-terminal Domain of GRP94, Open Conformation ADP-Complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Endoplasmin, MAGNESIUM ION, ... | | Authors: | Gewirth, D.T, Immormino, R.M, Dollins, D.E, Shaffer, P.L, Walker, M.A, Soldano, K.L. | | Deposit date: | 2004-05-20 | | Release date: | 2004-08-24 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Ligand-induced Conformational Shift in the N-terminal Domain of GRP94, an Hsp90 Chaperone.
J.Biol.Chem., 279, 2004
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4R3S
 | | Crystal Structure of anti-MSP2 Fv fragment (mAb6D8)in complex with MSP2 11-23 | | Descriptor: | FV FRAGMENT(MAB6D8) HEAVY CHAIN, FV FRAGMENT(MAB6D8) LIGHT CHAIN, Merozoite surface protein | | Authors: | Morales, R.A.V, MacRaild, C.A, Seow, J, Bankala, K, Drinkwater, N, McGowan, S, Rouet, R, Christ, D, Anders, R.F, Norton, R.S. | | Deposit date: | 2014-08-18 | | Release date: | 2015-06-03 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for epitope masking and strain specificity of a conserved epitope in an intrinsically disordered malaria vaccine candidate
Sci Rep, 5, 2015
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4RH7
 | | Crystal structure of human cytoplasmic dynein 2 motor domain in complex with ADP.Vi | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ADP ORTHOVANADATE, ... | | Authors: | Schmidt, H, Zalyte, R, Urnavicius, L, Carter, A.P. | | Deposit date: | 2014-10-01 | | Release date: | 2014-12-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.41 Å) | | Cite: | Structure of human cytoplasmic dynein-2 primed for its power stroke.
Nature, 518, 2015
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6J8M
 | | Low-dose structure of bovine heart cytochrome c oxidase in the fully oxidized state determined using 30 keV X-ray | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Ueno, G, Shimada, A, Yamashita, E, Hasegawa, K, Kumasaka, T, Shinzawa-Itoh, K, Yoshikawa, S, Tsukihara, T, Yamamoto, M. | | Deposit date: | 2019-01-20 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Low-dose X-ray structure analysis of cytochrome c oxidase utilizing high-energy X-rays.
J.Synchrotron Radiat., 26, 2019
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4R54
 | | Complex crystal structure of sp-Aspartate-Semialdehyde-Dehydrogenase with 3-carboxy-ethyl-phthalic acid | | Descriptor: | 3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid, ACETATE ION, Aspartate-semialdehyde dehydrogenase, ... | | Authors: | Pavlovsky, A.G, Viola, R.E. | | Deposit date: | 2014-08-20 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | A cautionary tale of structure-guided inhibitor development against an essential enzyme in the aspartate-biosynthetic pathway.
Acta Crystallogr.,Sect.D, 70, 2014
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3ENA
 | | Crystal structure of the mimivirus NDK +Kpn-N62L-R107G triple mutant complexed with dGDP | | Descriptor: | 2'-DEOXYGUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase | | Authors: | Jeudy, S, Lartigue, A, Claverie, J.M, Abergel, C. | | Deposit date: | 2008-09-25 | | Release date: | 2009-08-11 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Dissecting the unique nucleotide specificity of mimivirus nucleoside diphosphate kinase.
J.Virol., 83, 2009
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