6RV9
 
 | | Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor inactive S270A variant in complex with the aldouronic acid XUXXR | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-Xylitol, ... | | Authors: | Ernst, H.A, Mosbech, C, Langkilde, A, Westh, P, Meyer, A, Agger, J.W, Larsen, S. | | Deposit date: | 2019-05-31 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | The structural basis of fungal glucuronoyl esterase activity on natural substrates.
Nat Commun, 11, 2020
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8PS2
 | | Asymmetric unit of the yeast fatty acid synthase with ACP at the enoyl reductase domain (FASam sample) | | Descriptor: | FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, ... | | Authors: | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | | Deposit date: | 2023-07-13 | | Release date: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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8PRV
 | | Asymmetric unit of the yeast fatty acid synthase in the non-rotated state with ACP at the ketosreductase domain (FASamn sample) | | Descriptor: | COENZYME A, FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, ... | | Authors: | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | | Deposit date: | 2023-07-12 | | Release date: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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3N35
 | | Erythrina corallodendron lectin mutant (Y106G) with N-Acetylgalactosamine | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, Lectin, ... | | Authors: | Thamotharan, S, Karthikeyan, T, Kulkarni, K.A, Shetty, K.N, Surolia, A, Vijayan, M, Suguna, K. | | Deposit date: | 2010-05-19 | | Release date: | 2011-03-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Modification of the sugar specificity of a plant lectin: structural studies on a point mutant of Erythrina corallodendron lectin.
Acta Crystallogr.,Sect.D, 67, 2011
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6ORC
 | | Crystal structure of Sel1 repeat protein from Oxalobacter formigenes | | Descriptor: | Sel1 repeat protein | | Authors: | Chang, C, Tesar, C, Endres, M, Babnigg, G, Hassan, H, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2019-04-29 | | Release date: | 2020-05-06 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Crystal structure of Sel1 repeat protein from Oxalobacter formigenes
To Be Published
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5JX4
 | | Crystal structure of E36-G37del mutant of the Bacillus caldolyticus cold shock protein. | | Descriptor: | Cold shock protein CspB, SULFATE ION | | Authors: | Carvajal, A, Castro-Fernandez, V, Cabrejos, D, Fuentealba, M, Pereira, H.M, Vallejos, G, Cabrera, R, Garratt, R.C, Komives, E.A, Ramirez-Sarmiento, C.A, Babul, J. | | Deposit date: | 2016-05-12 | | Release date: | 2017-05-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Unusual dimerization of a BcCsp mutant leads to reduced conformational dynamics.
FEBS J., 284, 2017
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3N25
 | | The structure of muscle pyruvate kinase in complex with proline, pyruvate, and Mn2+ | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Fenton, A.W, Johnson, T.A, Holyoak, T. | | Deposit date: | 2010-05-17 | | Release date: | 2010-07-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | The pyruvate kinase model system, a cautionary tale for the use of osmolyte perturbations to support conformational equilibria in allostery.
Protein Sci., 19, 2010
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7BC4
 | | Cryo-EM structure of fatty acid synthase (FAS) from Pichia pastoris | | Descriptor: | FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta | | Authors: | Snowden, J.S, Alzahrani, J, Sherry, L, Stacey, M, Rowlands, D.J, Ranson, N.A, Stonehouse, N.J. | | Deposit date: | 2020-12-18 | | Release date: | 2021-05-19 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insight into Pichia pastoris fatty acid synthase.
Sci Rep, 11, 2021
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6OL2
 | | Crystallography of novel WNK1 and WNK3 inhibitors discovered from high-throughput-screening | | Descriptor: | ACETATE ION, GLYCEROL, N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide, ... | | Authors: | Chlebowicz, J, Akella, R, Sekulski, K, Humphreys, J.M, Durbacz, M.Z, He, H, Rodan, A, Posner, B, Goldsmith, E.J. | | Deposit date: | 2019-04-15 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallography of novel WNK1 and WNK3 inhibitors discovered from high throughput screening
To Be Published
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4TZF
 | | Structure of metallo-beta lactamase | | Descriptor: | NDM-8 metallo-beta-lactamase, ZINC ION | | Authors: | Ferguson, J.A, Makena, A, Brem, J, McDonough, M.A, Schofield, C.J. | | Deposit date: | 2014-07-10 | | Release date: | 2015-07-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | structure of metallo-beta lactamase
To Be Published
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8PRW
 | | Cryo-EM structure of the yeast fatty acid synthase at 1.9 angstrom resolution | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, COENZYME A, Fatty acid synthase subunit alpha, ... | | Authors: | Singh, K, Bunzel, G, Graf, B, Yip, K.M, Stark, H, Chari, A. | | Deposit date: | 2023-07-12 | | Release date: | 2023-11-22 | | Method: | ELECTRON MICROSCOPY (1.9 Å) | | Cite: | Reconstruction of a fatty acid synthesis cycle from acyl carrier protein and cofactor structural snapshots.
Cell, 186, 2023
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4U2B
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6ZCK
 | | Coxsackievirus B4 in complex with capsid binder compound 48 | | Descriptor: | 4-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzoic acid, Capsid protein VP1, Capsid protein VP2, ... | | Authors: | Flatt, J.W, Domanska, A, Butcher, S.J. | | Deposit date: | 2020-06-11 | | Release date: | 2021-03-17 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Identification of a conserved virion-stabilizing network inside the interprotomer pocket of enteroviruses.
Commun Biol, 4, 2021
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7BC5
 | | Cryo-EM structure of ACP domain from Pichia pastoris fatty acid synthase (FAS) | | Descriptor: | Fatty acid synthase subunit alpha | | Authors: | Snowden, J.S, Alzahrani, J, Sherry, L, Stacey, M, Rowlands, D.J, Ranson, N.A, Stonehouse, N.J. | | Deposit date: | 2020-12-18 | | Release date: | 2021-05-19 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural insight into Pichia pastoris fatty acid synthase.
Sci Rep, 11, 2021
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4U2E
 | | Crystal structure of dienelactone hydrolase S-3 variant (Q35H, F38L, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G, G211D and K234N) at 1.70 A resolution | | Descriptor: | Carboxymethylenebutenolidase, SULFATE ION | | Authors: | Porter, J.L, Collyer, C.A, Ollis, D.L. | | Deposit date: | 2014-07-16 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
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7SSP
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5NTB
 | | Streptomyces papain inhibitor (SPI) | | Descriptor: | Papain inhibitor, SULFATE ION | | Authors: | Schmelz, S, Juettner, N.E, Fuchsbauer, H.L, Scrima, A. | | Deposit date: | 2017-04-27 | | Release date: | 2018-03-07 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Illuminating structure and acyl donor sites of a physiological transglutaminase substrate from Streptomyces mobaraensis.
Protein Sci., 27, 2018
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8R2H
 | | Cryo-EM structure of 1-deoxy-D-xylulose 5-phosphate synthase (DXPS) from Plasmodium falciparum | | Descriptor: | 1-deoxy-D-xylulose-5-phosphate synthase, MAGNESIUM ION, THIAMINE DIPHOSPHATE | | Authors: | Gawriljuk, V.O, Godoy, A.S, Oerlemans, R, Groves, M.R. | | Deposit date: | 2023-11-06 | | Release date: | 2024-06-12 | | Last modified: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (2.42 Å) | | Cite: | Cryo-EM structure of 1-deoxy-D-xylulose 5-phosphate synthase DXPS from Plasmodium falciparum reveals a distinct N-terminal domain.
Nat Commun, 15, 2024
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8A83
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5FTO
 | | Crystal structure of the ALK kinase domain in complex with Entrectinib | | Descriptor: | ALK TYROSINE KINASE RECEPTOR, Entrectinib | | Authors: | Bossi, R, Canevari, G, Fasolini, M, Menichincheri, M, Ardini, E, Magnaghi, P, Avanzi, N, Banfi, P, Buffa, L, Ceriani, L, Colombo, M, Corti, L, Donati, D, Felder, E, Fiorelli, C, Fiorentini, F, Galvani, A, Isacchi, A, Lombardi Borgia, A, Marchionni, C, Nesi, M, Orrenius, C, Panzeri, A, Perrone, E, Pesenti, E, Rusconi, L, Saccardo, M.B, Vanotti, E, Orsini, P. | | Deposit date: | 2016-01-14 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Discovery of Entrectinib: A New 3-Aminoindazole as a Potent Anaplastic Lymphoma Kinase (Alk), C-Ros Oncogene 1 Kinase (Ros1), and Pan-Tropomyosin Receptor Kinases (Pan-Trks) Inhibitor.
J.Med.Chem., 59, 2016
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6GE9
 | | Structure of Mycobacterium tuberculosis GlmU bound to Glc-1P and Ac-CoA | | Descriptor: | 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, ... | | Authors: | Craggs, P.D, Mouilleron, S, Rejzek, M, de Chiara, C, Young, R.J, Field, R.A, Argyrou, A, de Carvalho, L.P.S. | | Deposit date: | 2018-04-25 | | Release date: | 2018-05-02 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | The Mechanism of Acetyl Transfer Catalyzed by Mycobacterium tuberculosis GlmU.
Biochemistry, 57, 2018
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5FV3
 | | Crystal structure of human JARID1B construct c2 in complex with N- Oxalylglycine. | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | | Authors: | Nowak, R, Srikannathasan, V, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Talon, R, von Delft, F, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U. | | Deposit date: | 2016-02-02 | | Release date: | 2016-02-17 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Structural Analysis of Human Kdm5B Guides Histone Demethylase Inhibitor Development.
Nat.Chem.Biol., 12, 2016
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7ZJ5
 | | Unbound state of a brocolli-pepper aptamer FRET tile. | | Descriptor: | POTASSIUM ION, brocolli-pepper aptamer | | Authors: | McRae, E.K.S, Vallina, N.S, Hansen, B.K, Boussebayle, A, Andersen, E.S. | | Deposit date: | 2022-04-08 | | Release date: | 2023-04-19 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.55 Å) | | Cite: | Structure determination of Pepper-Broccoli FRET pair by RNA origami scaffolding
To Be Published
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8PJJ
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6ZBI
 | | Ternary complex of Calmodulin bound to 2 molecules of NHE1 | | Descriptor: | CALCIUM ION, Calmodulin-1, Sodium/hydrogen exchanger 1 | | Authors: | Prestel, A, Kragelund, B.B, Pedersen, E.S, Pedersen, S.F, Sjoegaard-Frich, L.M. | | Deposit date: | 2020-06-08 | | Release date: | 2021-03-17 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Dynamic Na + /H + exchanger 1 (NHE1) - calmodulin complexes of varying stoichiometry and structure regulate Ca 2+ -dependent NHE1 activation.
Elife, 10, 2021
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