7XNR
 
 | | SARS-CoV-2 Omicron BA.2.13 variant spike | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Wang, X, Wang, L. | | Deposit date: | 2022-04-29 | | Release date: | 2022-07-13 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
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1ONO
 | | IspC Mn2+ complex | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MANGANESE (II) ION | | Authors: | Steinbacher, S, Kaiser, J, Eisenreich, W, Huber, R, Bacher, A, Rohdich, F. | | Deposit date: | 2003-02-28 | | Release date: | 2003-03-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis of fosmidomycin action revealed by the complex with 2-C-methyl-D-erythritol
4-phosphate synthase (IspC). Implications for the catalytic mechanism and anti-malaria
drug development.
J.BIOL.CHEM., 278, 2003
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4CQG
 | | The crystal structure of MPK38 in complex with OTSSP167, an orally- administrative MELK selective inhibitor | | Descriptor: | 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone, Maternal embryonic leucine zipper kinase, SULFATE ION | | Authors: | Cho, Y.S, Kang, Y.J, Cho, H.S. | | Deposit date: | 2014-02-17 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | The crystal structure of MPK38 in complex with OTSSP167, an orally administrative MELK selective inhibitor.
Biochem.Biophys.Res.Commun., 447, 2014
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1Y65
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2H4V
 | | Crystal Structure of the Human Tyrosine Receptor Phosphatase Gamma | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Ugochukwu, E, Barr, A, Das, S, Eswaran, J, Savitsky, P, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, Debreczeni, J, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2006-05-25 | | Release date: | 2006-07-11 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
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4OVJ
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3PS7
 | | Biochemical studies and crystal structure determination of dihydrodipicolinate synthase from Pseudomonas aeruginosa | | Descriptor: | Dihydrodipicolinate synthase, S-1,2-PROPANEDIOL | | Authors: | Kaur, N, Gautam, A, Kumar, S, Singh, A, Singh, N, Sharma, S, Sharma, R, Tewari, R, Singh, T.P. | | Deposit date: | 2010-12-01 | | Release date: | 2010-12-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Biochemical studies and crystal structure determination of dihydrodipicolinate synthase from Pseudomonas aeruginosa
Int.J.Biol.Macromol., 48, 2011
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1P6D
 | | STRUCTURE OF THE D55N MUTANT OF PHOSPHOLIPASE C FROM BACILLUS CEREUS IN COMPLEX WITH (3S)-3,4,DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE | | Descriptor: | (3S)-3,4-DI-N-HEXANOYLOXYBUTYL-1-PHOSPHOCHOLINE, PHOSPHOLIPASE C, ZINC ION | | Authors: | Antikainen, N.M, Monzingo, A.F, Franklin, C.L, Robertus, J.D, Martin, S.F. | | Deposit date: | 2003-04-29 | | Release date: | 2003-09-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Using X-ray crystallography of the Asp55Asn mutant of the phosphatidylcholine-preferring phospholipase C from Bacillus cereus to support the mechanistic role of Asp55 as the general base.
Arch.Biochem.Biophys., 417, 2003
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3Q33
 | | Structure of the Rtt109-AcCoA/Vps75 Complex and Implications for Chaperone-Mediated Histone Acetylation | | Descriptor: | 1,2-ETHANEDIOL, ACETYL COENZYME *A, HISTONE H3, ... | | Authors: | Tang, Y, Yuan, H, Meeth, K, Marmorstein, R. | | Deposit date: | 2010-12-21 | | Release date: | 2011-02-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the Rtt109-AcCoA/Vps75 Complex and Implications for Chaperone-Mediated Histone Acetylation.
Structure, 19, 2011
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4EAT
 | | Crystal structure of a benzoate coenzyme A ligase | | Descriptor: | 1,2-ETHANEDIOL, BENZOIC ACID, Benzoate-coenzyme A ligase, ... | | Authors: | Geiger, J, Strom, S. | | Deposit date: | 2012-03-22 | | Release date: | 2013-03-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.798 Å) | | Cite: | Kinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Biochemistry, 54, 2015
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5HFA
 | | Crystal structure of human acetylcholinesterase in complex with paraoxon and 2-PAM | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Franklin, M.F, Rudolph, M.J, Ginter, C, Cassidy, M.S, Cheung, J. | | Deposit date: | 2016-01-06 | | Release date: | 2016-06-22 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Structures of paraoxon-inhibited human acetylcholinesterase reveal perturbations of the acyl loop and the dimer interface.
Proteins, 84, 2016
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2W4I
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7B93
 | | Cryo-EM structure of mitochondrial complex I from Mus musculus inhibited by IACS-2858 at 3.0 A | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one, ... | | Authors: | Chung, I, Hirst, J. | | Deposit date: | 2020-12-14 | | Release date: | 2021-05-26 | | Last modified: | 2025-04-09 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Cork-in-bottle mechanism of inhibitor binding to mammalian complex I.
Sci Adv, 7, 2021
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7JO3
 | | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pivalamide | | Descriptor: | 2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Andring, J.T, McKenna, R. | | Deposit date: | 2020-08-05 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.454 Å) | | Cite: | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
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3EDG
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1REG
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7F81
 | | Structure of the bacterial cellulose synthase subunit Z from Enterobacter sp. CJF-002 | | Descriptor: | GLYCEROL, Glucanase, S,R MESO-TARTARIC ACID | | Authors: | Fujiwara, T, Fujishima, A, Yao, M. | | Deposit date: | 2021-06-30 | | Release date: | 2022-02-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structural snapshot of a glycoside hydrolase family 8 endo-beta-1,4-glucanase capturing the state after cleavage of the scissile bond.
Acta Crystallogr.,Sect.D, 78, 2022
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3ENZ
 | | Arsenolytic structure of Plasmodium falciparum purine nucleoside phosphorylase with hypoxanthine, ribose and arsenate ion | | Descriptor: | 1,4-anhydro-D-ribitol, ARSENATE, FORMIC ACID, ... | | Authors: | Chaikuad, A, Brady, R.L. | | Deposit date: | 2008-09-26 | | Release date: | 2009-08-04 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Conservation of structure and activity in Plasmodium purine nucleoside phosphorylases.
Bmc Struct.Biol., 9, 2009
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4E5O
 | | Crystal structure of mouse thymidylate synthase in complex with dUMP | | Descriptor: | 1,4-BUTANEDIOL, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Thymidylate synthase | | Authors: | Dowiercial, A, Jarmula, A, Rypniewski, W, Sokolowska, M, Fraczyk, T, Ciesla, J, Rode, W. | | Deposit date: | 2012-03-14 | | Release date: | 2012-04-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme
Struct Chem, 2016
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4E7E
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2H04
 | | Structural studies of protein tyrosine phosphatase beta catalytic domain in complex with inhibitors | | Descriptor: | Protein tyrosine phosphatase, receptor type, B,, ... | | Authors: | Evdokimov, A.G, Pokross, M.E, Walter, R.L, Mekel, M, Gray, J.L, Peters, K.G, Maier, M.B, Amarasinghe, K.D, Clark, C.M, Nichols, R. | | Deposit date: | 2006-05-13 | | Release date: | 2006-06-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta.
Bioorg.Med.Chem.Lett., 16, 2006
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4N93
 | | Alternative substrates of Mycobacterium tuberculosis anthranilate phosphoribosyl transferase | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-amino-6-methylbenzoic acid, Anthranilate phosphoribosyltransferase, ... | | Authors: | Castell, A, Short, F.L, Lott, J.S. | | Deposit date: | 2013-10-19 | | Release date: | 2014-04-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Alternative substrates reveal catalytic cycle and key binding events in the reaction catalysed by anthranilate phosphoribosyltransferase from Mycobacterium tuberculosis.
Biochem.J., 461, 2014
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4E9Z
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7JXZ
 | | Structure of HbA with compound (S)-4 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, 3-{(1S)-1-[5-fluoro-2-(1H-pyrazol-1-yl)phenyl]ethoxy}-5-(3-methyl-1H-pyrazol-4-yl)pyridin-2-amine, CARBON MONOXIDE, ... | | Authors: | Jasti, J. | | Deposit date: | 2020-08-28 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | PF-07059013: A Noncovalent Modulator of Hemoglobin for Treatment of Sickle Cell Disease.
J.Med.Chem., 64, 2021
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1AU4
 | | CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PYRROLIDINONE INHIBITOR | | Descriptor: | 4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE/N, CATHEPSIN K | | Authors: | Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. | | Deposit date: | 1997-09-10 | | Release date: | 1998-10-14 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Conformationally constrained 1,3-diamino ketones: a series of potent inhibitors of the cysteine protease cathepsin K.
J.Med.Chem., 41, 1998
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