4A8H
 
 | | Crystal structure of putrescine transcarbamylase from Enterococcus faecalis with N-(phosphonoacetyl)-putrescine | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, N-(PHOSPHONOACETYL)-PUTRESCINE, ... | | Authors: | Polo, L.M, Gil-Ortiz, F, Rubio, V. | | Deposit date: | 2011-11-21 | | Release date: | 2012-02-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | New Insight Into the Transcarbamylase Family: The Structure of Putrescine Transcarbamylase, a Key Catalyst for Fermentative Utilization of Agmatine
Plos One, 7, 2012
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4AM8
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5DOU
 | | Crystal Structure of Human Carbamoyl phosphate synthetase I (CPS1), ligand-bound form | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | de Cima, S, Polo, L.M, Fita, I, Rubio, V. | | Deposit date: | 2015-09-11 | | Release date: | 2015-12-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of human carbamoyl phosphate synthetase: deciphering the on/off switch of human ureagenesis.
Sci Rep, 5, 2015
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5DY0
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5DXZ
 | | Crystal of AmtR from Corynebacterium glutamicum | | Descriptor: | SULFATE ION, TetR family transcriptional regulator | | Authors: | Palanca, C, Rubio, V. | | Deposit date: | 2015-09-24 | | Release date: | 2016-01-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of AmtR, the global nitrogen regulator of Corynebacterium glutamicum, in free and DNA-bound forms.
Febs J., 283, 2016
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5DOT
 | | Crystal Structure of Human Carbamoyl phosphate synthetase I (CPS1), apo form | | Descriptor: | 1,2-ETHANEDIOL, Carbamoyl-phosphate synthase [ammonia], mitochondrial, ... | | Authors: | Polo, L.M, de Cima, S, Fita, I, Rubio, V. | | Deposit date: | 2015-09-11 | | Release date: | 2015-12-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of human carbamoyl phosphate synthetase: deciphering the on/off switch of human ureagenesis.
Sci Rep, 5, 2015
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5DY1
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4CR8
 | | Crystal structure of the N-acetyl-D-mannosamine dehydrogenase with NAD | | Descriptor: | N-ACYLMANNOSAMINE 1-DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Gil-Ortiz, F, Sola-Carvajal, A, Garcia-Carmona, F, Sanchez-Ferrer, A, Rubio, V. | | Deposit date: | 2014-02-25 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal Structures and Functional Studies Clarify Substrate Selectivity and Catalytic Residues for the Unique Orphan Enzyme N-Acetyl-D-Mannosamine Dehydrogenase.
Biochem.J., 462, 2014
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4CR7
 | | Crystal structure of the N-acetyl-D-mannosamine dehydrogenase with n-acetylmannosamine | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-mannopyranose, N-ACYLMANNOSAMINE 1-DEHYDROGENASE, TETRAETHYLENE GLYCOL, ... | | Authors: | Gil-Ortiz, F, Sola-Carvajal, A, Garcia-Carmona, F, Sanchez-Ferrer, A, Rubio, V. | | Deposit date: | 2014-02-25 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Crystal Structures and Functional Studies Clarify Substrate Selectivity and Catalytic Residues for the Unique Orphan Enzyme N-Acetyl-D-Mannosamine Dehydrogenase.
Biochem.J., 462, 2014
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4CR6
 | | Crystal structure of the N-acetyl-D-mannosamine dehydrogenase without substrates | | Descriptor: | N-ACYLMANNOSAMINE 1-DEHYDROGENASE, alpha-D-mannopyranose | | Authors: | Gil-Ortiz, F, Sola-Carvajal, A, Garcia-Carmona, F, Sanchez-Ferrer, A, Rubio, V. | | Deposit date: | 2014-02-25 | | Release date: | 2014-07-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structures and Functional Studies Clarify Substrate Selectivity and Catalytic Residues for the Unique Orphan Enzyme N-Acetyl-D-Mannosamine Dehydrogenase.
Biochem.J., 462, 2014
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7O1B
 | | Human phosphomannomutase 2 (PMM2) wild-type co-crystallized with the activator glucose 1,6-bisphosphate | | Descriptor: | 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V. | | Deposit date: | 2021-03-29 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
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7O4G
 | | Human phosphomannomutase 2 (PMM2) wild-type soaked with the activator glucose 1,6-bisphosphate | | Descriptor: | 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V. | | Deposit date: | 2021-04-06 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
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7O0C
 | | Human phosphomannomutase 2 (PMM2) wild-type in apo state | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Phosphomannomutase 2, ... | | Authors: | Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V. | | Deposit date: | 2021-03-26 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
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7O5Z
 | | Human phosphomannomutase 2 (PMM2) with mutation T237M in apo state | | Descriptor: | CHLORIDE ION, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V. | | Deposit date: | 2021-04-09 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
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7O58
 | | Human phosphomannomutase 2 (PMM2) with mutation T237M in complex with the activator glucose 1,6-bisphosphate | | Descriptor: | 1,6-di-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Ramon-Maiques, S, Briso-Montiano, A, Del Cano-Ochoa, F, Vilas, A, Perez, B, Rubio, V. | | Deposit date: | 2021-04-08 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Insight on molecular pathogenesis and pharmacochaperoning potential in phosphomannomutase 2 deficiency, provided by novel human phosphomannomutase 2 structures.
J Inherit Metab Dis, 45, 2022
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7QDH
 | | SARS-CoV-2 S protein S:D614G mutant 1-up | | 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,Fibritin | | Authors: | Ginex, T, Marco-Marin, C, Wieczor, M, Mata, C.P, Krieger, J, Lopez-Redondo, M.L, Frances-Gomez, C, Ruiz-Rodriguez, P, Melero, R, Sanchez-Sorzano, C.O, Martinez, M, Gougeard, N, Forcada-Nadal, A, Zamora-Caballero, S, Gozalbo-Rovira, R, Sanz-Frasquet, C, Bravo, J, Rubio, V, Marina, A, Geller, R, Comas, I, Gil, C, Coscolla, M, Orozco, M, LLacer, J.L, Carazo, J.M. | | Deposit date: | 2021-11-27 | | Release date: | 2022-05-25 | | Last modified: | 2022-08-10 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | The structural role of SARS-CoV-2 genetic background in the emergence and success of spike mutations: The case of the spike A222V mutation.
Plos Pathog., 18, 2022
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7QDG
 | | SARS-CoV-2 S protein S:A222V + S:D614G mutant 1-up | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Ginex, T, Marco-Marin, C, Wieczor, M, Mata, C.P, Krieger, J, Lopez-Redondo, M.L, Frances-Gomez, C, Ruiz-Rodriguez, P, Melero, R, Sanchez-Sorzano, C.O, Martinez, M, Gougeard, N, Forcada-Nadal, A, Zamora-Caballero, S, Gozalbo-Rovira, R, Sanz-Frasquet, C, Bravo, J, Rubio, V, Marina, A, Geller, R, Comas, I, Gil, C, Coscolla, M, Orozco, M, LLacer, J.L, Carazo, J.M. | | Deposit date: | 2021-11-27 | | Release date: | 2022-05-25 | | Last modified: | 2022-08-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The structural role of SARS-CoV-2 genetic background in the emergence and success of spike mutations: The case of the spike A222V mutation.
Plos Pathog., 18, 2022
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6T76
 | | PII-like protein CutA from Nostoc sp. PCC 7120 in apo form | | Descriptor: | Periplasmic divalent cation tolerance protein, SULFATE ION | | Authors: | Selim, K.A, Albrecht, R, Forchhammer, K, Hartmann, M.D. | | Deposit date: | 2019-10-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role.
Febs J., 288, 2021
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6T7E
 | | PII-like protein CutA from Nostoc sp. PCC7120 in complex with MES | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Periplasmic divalent cation tolerance protein | | Authors: | Selim, K.A, Albrecht, R, Forchhammer, K, Hartmann, M.D. | | Deposit date: | 2019-10-21 | | Release date: | 2020-07-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Functional and structural characterization of PII-like protein CutA does not support involvement in heavy metal tolerance and hints at a small-molecule carrying/signaling role.
Febs J., 288, 2021
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8P9Y
 | | SARS-CoV-2 S protein S:D614G mutant in 3-down with binding site of an entry inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, ... | | Authors: | Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L. | | Deposit date: | 2023-06-06 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein.
J.Med.Chem., 66, 2023
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8P99
 | | SARS-CoV-2 S-protein:D614G mutant in 1-up conformation | | 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 protein S1,Spike glycoprotein | | Authors: | Adhav, A, Forcada-Nadal, A, Marco-Marin, C, Lopez-Redondo, M.L, Llacer, J.L. | | Deposit date: | 2023-06-05 | | Release date: | 2023-09-27 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | C-2 Thiophenyl Tryptophan Trimers Inhibit Cellular Entry of SARS-CoV-2 through Interaction with the Viral Spike (S) Protein.
J.Med.Chem., 66, 2023
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3DGF
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3DGE
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5NAY
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5NAX
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