6FWP
 
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-1,3-mannobiose and alpha-1,2-mannobiose | | Descriptor: | ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose, ... | | Authors: | Sobala, L.F, Speciale, G, Hakki, Z, Fernandes, P.Z, Raich, L, Rojas-Cervellera, V, Bennet, A, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Lu, D, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2018-03-06 | | Release date: | 2019-09-18 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | An Epoxide Intermediate in Glycosidase Catalysis.
Acs Cent.Sci., 6, 2020
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7TIM
 | | STRUCTURE OF THE TRIOSEPHOSPHATE ISOMERASE-PHOSPHOGLYCOLOHYDROXAMATE COMPLEX: AN ANALOGUE OF THE INTERMEDIATE ON THE REACTION PATHWAY | | Descriptor: | PHOSPHOGLYCOLOHYDROXAMIC ACID, TRIOSEPHOSPHATE ISOMERASE | | Authors: | Davenport, R.C, Bash, P.A, Seaton, B.A, Karplus, M, Petsko, G.A, Ringe, D. | | Deposit date: | 1991-04-23 | | Release date: | 1993-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the triosephosphate isomerase-phosphoglycolohydroxamate complex: an analogue of the intermediate on the reaction pathway.
Biochemistry, 30, 1991
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7U92
 | | SARS-CoV-2 Main Protease (Mpro) in Complex with ML1006a | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase, CHLORIDE ION | | Authors: | Westberg, M, Fernandez, D, Lin, M.Z. | | Deposit date: | 2022-03-09 | | Release date: | 2023-09-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | An orally bioavailable SARS-CoV-2 main protease inhibitor exhibits improved affinity and reduced sensitivity to mutations.
Sci Transl Med, 16, 2024
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7TPI
 | | SARS-CoV-2 E406W mutant Spike ectodomain | | 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: | Addetia, A, Veesler, D. | | Deposit date: | 2022-01-25 | | Release date: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | SARS-CoV-2 E406W mutant Spike ectodomain
To Be Published
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1XV2
 | | Crystal Structure of a Protein of Unknown Function Similar to Alpha-acetolactate Decarboxylase from Staphylococcus aureus | | Descriptor: | ZINC ION, hypothetical protein, similar to alpha-acetolactate decarboxylase | | Authors: | Duke, N.E.C, Zhang, R, Quartey, P, Collart, F, Holzle, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-10-26 | | Release date: | 2004-12-14 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a hypothetical protein similar to alpha-acetolactate
To be Published
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4TNF
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4RVT
 | | MAP4K4 in complex with a pyridin-2(1H)-one derivative | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-hexanoyl-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-one, Mitogen-activated protein kinase kinase kinase kinase 4 | | Authors: | Richters, A, Becker, C, Kleine, S, Rauh, D. | | Deposit date: | 2014-11-27 | | Release date: | 2015-05-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Neuritogenic Militarinone-Inspired 4-Hydroxypyridones Target the Stress Pathway Kinase MAP4K4.
Angew.Chem.Int.Ed.Engl., 54, 2015
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1XWE
 | | NMR Structure of C345C (NTR) domain of C5 of complement | | Descriptor: | Complement C5 | | Authors: | Bramham, J, Thai, C.-T, Soares, D.C, Uhrin, D, Ogata, R.T, Barlow, P.N. | | Deposit date: | 2004-10-30 | | Release date: | 2004-12-21 | | Last modified: | 2021-11-10 | | Method: | SOLUTION NMR | | Cite: | Functional Insights from the Structure of the Multifunctional C345C Domain of C5 of Complement
J.Biol.Chem., 280, 2005
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6ZXU
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1XT9
 | | Crystal Structure of Den1 in complex with Nedd8 | | Descriptor: | Neddylin, Sentrin-specific protease 8 | | Authors: | Reverter, D, Wu, K, Erdene, T.G, Pan, Z.Q, Wilkinson, K.D, Lima, C.D. | | Deposit date: | 2004-10-21 | | Release date: | 2004-12-21 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a Complex between Nedd8 and the Ulp/Senp Protease Family Member Den1.
J.Mol.Biol., 345, 2005
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6ZXK
 | | Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1B) arrangement | | Descriptor: | Lethal factor, Protective antigen | | Authors: | Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S. | | Deposit date: | 2020-07-29 | | Release date: | 2020-09-02 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state.
Plos Pathog., 16, 2020
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1XYY
 | | Low Temperature (100K) Crystal Structure Of Flavodoxin Mutant S64C, homodimer, oxidised state | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVODOXIN | | Authors: | Artali, R, Marchini, N, Meneghetti, F, Cavazzini, D, Bombieri, G, Rossi, G.L, Gilardi, G. | | Deposit date: | 2004-11-11 | | Release date: | 2004-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Redox properties and crystal structures of a Desulfovibrio vulgaris flavodoxin mutant in the monomeric and homodimeric forms.
Biochim.Biophys.Acta, 1794, 2009
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6ZYI
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1XTE
 | | crystal structure of CISK-PX domain | | Descriptor: | Serine/threonine-protein kinase Sgk3 | | Authors: | Xing, Y, Liu, D, Zhang, R, Joachimiak, A, Songyang, Z, Xu, W. | | Deposit date: | 2004-10-21 | | Release date: | 2004-11-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural basis of membrane targeting by the Phox homology domain of cytokine-independent survival kinase (CISK-PX)
J.Biol.Chem., 279, 2004
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6ZYJ
 | | Crystal structure of Hsc70 ATPase domain in complex with ADP and calcium | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Yan, Y, Preissler, S, Ron, D. | | Deposit date: | 2020-08-01 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Calcium depletion challenges endoplasmic reticulum proteostasis by destabilising BiP-substrate complexes.
Elife, 9, 2020
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6Q2Y
 | | Crystal structure of NDM-1 beta-lactamase in complex with broad spectrum boronic inhibitor cpd3 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Metallo-beta-lactamase type 2, ... | | Authors: | Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L. | | Deposit date: | 2018-12-03 | | Release date: | 2019-04-24 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
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6QEJ
 | | CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR Thiophene-2-sulfonic acid (4-fluoro-benzyl)-(4H-[1,2,4]triazol-3-ylmethyl)-amide | | Descriptor: | 1,2-ETHANEDIOL, MANGANESE (II) ION, Methionine aminopeptidase 2, ... | | Authors: | Musil, D, Heinrich, T, Lehmann, M. | | Deposit date: | 2019-01-07 | | Release date: | 2019-05-01 | | Last modified: | 2019-06-05 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery and Structure-Based Optimization of Next-Generation Reversible Methionine Aminopeptidase-2 (MetAP-2) Inhibitors.
J.Med.Chem., 62, 2019
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1ZK8
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6Q45
 | | F1-ATPase from Fusobacterium nucleatum | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ... | | Authors: | Petri, J, Nakatani, Y, Montgomery, M.G, Ferguson, S.A, Aragao, D, Leslie, A.G.W, Heikal, A, Walker, J.E, Cook, G.M. | | Deposit date: | 2018-12-05 | | Release date: | 2019-07-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure of F1-ATPase from the obligate anaerobe Fusobacterium nucleatum.
Open Biology, 9, 2019
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6QFR
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4S03
 | | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: I11BIF, Y79I, and F123A mutant | | Descriptor: | Threonine--tRNA ligase | | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | | Deposit date: | 2014-12-30 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle.
Science, 347, 2015
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4S0L
 | | Biphenylalanine modified threonyl-tRNA synthetase from Pyrococcus abyssi: I11BIF, Y79V, and F123V mutant | | Descriptor: | Threonine--tRNA ligase | | Authors: | Pearson, A.D, Mills, J.H, Song, Y, Nasertorabi, F, Han, G.W, Baker, D, Stevens, R.C, Schultz, P.G. | | Deposit date: | 2014-12-31 | | Release date: | 2015-03-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Transition states. Trapping a transition state in a computationally designed protein bottle.
Science, 347, 2015
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1ZCP
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6Q6P
 | | Antarctic fish cytoglobin 1 from D.mawsoni | | Descriptor: | Cytoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Giordano, D, Pesce, A, Vermeylen, S, Abbruzzetti, S, Nardini, M, Marchesani, F, Berghmans, H, Seira, C, Bruno, S, Luque, F.J, di Prisco, G, Ascenzi, P, Dewilde, S, Bolognesi, M, Viappiani, C, Verde, C. | | Deposit date: | 2018-12-11 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and functional properties of Antarctic fish cytoglobins-1: Cold-reactivity in multi-ligand reactions.
Comput Struct Biotechnol J, 18, 2020
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4RMP
 | | Crystal structure of allophycocyanin from marine cyanobacterium Phormidium sp. A09DM | | Descriptor: | Allophycocyanin, PHYCOCYANOBILIN | | Authors: | Kumar, V, Gupta, G.D, Sonani, R.R, Madamwar, D. | | Deposit date: | 2014-10-22 | | Release date: | 2015-05-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.506 Å) | | Cite: | Crystal Structure of Allophycocyanin from Marine Cyanobacterium Phormidium sp. A09DM.
Plos One, 10, 2015
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