4KCV
 
 | | Pyruvate kinase (PYK) from Trypanosoma brucei soaked with 2-oxoglutaric acid | | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, 2-OXOGLUTARIC ACID, GLYCEROL, ... | | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | Deposit date: | 2013-04-24 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Pyruvate kinases have an intrinsic and conserved decarboxylase activity.
Biochem.J., 458, 2014
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7AY7
 | | Structure of SARS-CoV-2 Main Protease bound to Isofloxythepin | | Descriptor: | 3C-like proteinase, 9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2020-11-11 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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4KCW
 | | Pyruvate kinase (PYK) from Trypanosoma brucei soaked with oxalate | | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Zhong, W, Morgan, H.P, McNae, I.W, Michels, P.A.M, Fothergill-Gilmore, L.A, Walkinshaw, M.D. | | Deposit date: | 2013-04-24 | | Release date: | 2014-01-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Pyruvate kinases have an intrinsic and conserved decarboxylase activity.
Biochem.J., 458, 2014
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6MIC
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1LE6
 | | CARBOXYLIC ESTER HYDROLASE, P 1 21 1 SPACE GROUP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Group X Secretory Phospholipase A2 | | Authors: | Pan, Y.H, Jain, M.K, Bahnson, B.J. | | Deposit date: | 2002-04-09 | | Release date: | 2002-08-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Crystal structure of human group X secreted phospholipase A2. Electrostatically neutral interfacial surface targets zwitterionic membranes.
J.Biol.Chem., 277, 2002
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4MRT
 | | Structure of the Phosphopantetheine Transferase Sfp in Complex with Coenzyme A and a Peptidyl Carrier Protein | | Descriptor: | 4'-phosphopantetheinyl transferase sfp, COENZYME A, GLYCEROL, ... | | Authors: | Tufar, P, Rahighi, S, Kraas, F.I, Kirchner, D.K, Loehr, F, Henrich, E, Koepke, J, Dikic, I, Guentert, P, Marahiel, M.A, Doetsch, V. | | Deposit date: | 2013-09-17 | | Release date: | 2014-04-23 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of a PCP/Sfp Complex Reveals the Structural Basis for Carrier Protein Posttranslational Modification.
Chem.Biol., 21, 2014
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2OML
 | | crystal structure of E. coli pseudouridine synthase RluE | | Descriptor: | Ribosomal large subunit pseudouridine synthase E, SULFATE ION | | Authors: | Pan, H, Ho, J.D, Stroud, R.M, Finer-Moore, J. | | Deposit date: | 2007-01-22 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The Crystal Structure of E. coli rRNA Pseudouridine Synthase RluE.
J.Mol.Biol., 367, 2007
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2OLW
 | | Crystal Structure of E. coli pseudouridine synthase RluE | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETIC ACID, Ribosomal large subunit pseudouridine synthase E, ... | | Authors: | Pan, H, Ho, J.D, Stroud, R.M, Finer-Moore, J. | | Deposit date: | 2007-01-19 | | Release date: | 2007-03-13 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Crystal Structure of E. coli rRNA Pseudouridine Synthase RluE.
J.Mol.Biol., 367, 2007
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2PGG
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1LE7
 | | CARBOXYLIC ESTER HYDROLASE, C 2 2 21 space group | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Group X Secretory Phospholipase A2 | | Authors: | Pan, Y.H, Jain, M.K, Bahnson, B.J. | | Deposit date: | 2002-04-09 | | Release date: | 2002-08-14 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Crystal structure of human group X secreted phospholipase A2. Electrostatically neutral interfacial surface targets zwitterionic membranes.
J.Biol.Chem., 277, 2002
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1MZJ
 | | Crystal Structure of the Priming beta-Ketosynthase from the R1128 Polyketide Biosynthetic Pathway | | Descriptor: | ACETYL GROUP, Beta-ketoacylsynthase III, COENZYME A | | Authors: | Pan, H, Tsai, S.C, Meadows, E.S, Miercke, L.J.W, Keatinge-Clay, A, O'Connell, J, Khosla, C, Stroud, R.M. | | Deposit date: | 2002-10-08 | | Release date: | 2002-12-11 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the priming beta-ketosynthase from the
R1128 polyketide biosynthetic pathway
Structure, 10
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2PKU
 | | Solution structure of PICK1 PDZ in complex with the carboxyl tail peptide of GluR2 | | Descriptor: | PRKCA-binding protein, peptide (GLU)(SER)(VAL)(LYS)(ILE) | | Authors: | Pan, L, Wu, H, Shen, C, Shi, Y, Xia, J, Zhang, M. | | Deposit date: | 2007-04-18 | | Release date: | 2007-11-20 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Clustering and synaptic targeting of PICK1 requires direct interaction between the PDZ domain and lipid membranes
Embo J., 26, 2007
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1NDU
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1KAT
 | | Solution Structure of a Phage-Derived Peptide Antagonist in Complex with Vascular Endothelial Growth Factor | | Descriptor: | Phage-Derived Peptide Antagonist, Vascular Endothelial Growth Factor | | Authors: | Pan, B, Li, B, Russell, S.J, Tom, J.Y.K, Cochran, A.G, Fairbrother, W.J. | | Deposit date: | 2001-11-02 | | Release date: | 2002-11-02 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Phage-derived Peptide Antagonist in Complex with Vascular Endothelial Growth Factor
J.Mol.Biol., 316, 2002
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3CKL
 | | Crystal structure of human cytosolic sulfotransferase SULT1B1 in complex with PAP and resveratrol | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, RESVERATROL, Sulfotransferase family cytosolic 1B member 1 | | Authors: | Pan, P.W, Tempel, W, Dong, A, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-03-16 | | Release date: | 2008-04-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of human cytosolic sulfotransferase SULT1B1 in complex with PAP and resveratrol.
To be Published
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1NDQ
 | | Bacillus lentus subtilisin | | Descriptor: | CALCIUM ION, Subtilisin Savinase | | Authors: | Pan, X, Bott, R, Glatz, C.E. | | Deposit date: | 2002-12-09 | | Release date: | 2004-04-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Subtilisin surface properties and crystal growth kinetics
J.CRYST.GROWTH, 254, 2003
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5WBO
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5WBP
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5WBR
 | | Structure of human Ketohexokinase complexed with hits from fragment screening | | Descriptor: | 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile, CITRIC ACID, GLYCEROL, ... | | Authors: | Pandit, J. | | Deposit date: | 2017-06-29 | | Release date: | 2017-09-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery of Fragment-Derived Small Molecules for in Vivo Inhibition of Ketohexokinase (KHK).
J. Med. Chem., 60, 2017
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4CM8
 | | Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | | Descriptor: | (E)-2,4-diamino-6-(4-methylstyryl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ... | | Authors: | Barrack, K.L, Hunter, W.N. | | Deposit date: | 2014-01-15 | | Release date: | 2015-01-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1.
J.Med.Chem., 57, 2014
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8IWG
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8IWQ
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8IX9
 | | Pseudomoans Aerugiona Wildtype Ketopantoate Reductase with NADPH | | Descriptor: | 2-dehydropantoate 2-reductase, FORMIC ACID, GLYCEROL, ... | | Authors: | Choudhury, G.B, Datta, S. | | Deposit date: | 2023-03-31 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Implication of Molecular Constraints Facilitating the Functional Evolution of Pseudomonas aeruginosa KPR2 into a Versatile alpha-Keto-Acid Reductase.
Biochemistry, 63, 2024
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4QUK
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6SGA
 | | Body domain of the mt-SSU assemblosome from Trypanosoma brucei | | Descriptor: | 9S rRNA, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Saurer, M, Ramrath, D.J.F, Niemann, M, Calderaro, S, Prange, C, Mattei, S, Scaiola, A, Leitner, A, Bieri, P, Horn, E.K, Leibundgut, M, Boehringer, D, Schneider, A, Ban, N. | | Deposit date: | 2019-08-03 | | Release date: | 2019-09-18 | | Last modified: | 2019-09-25 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Mitoribosomal small subunit biogenesis in trypanosomes involves an extensive assembly machinery.
Science, 365, 2019
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