4XUL
 
 | | Crystal structure of M. chilensis Mg662 protein complexed with GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, SODIUM ION, ... | | Authors: | Lartigue, A, Priet, S, Claverie, J.M, Abergel, C. | | Deposit date: | 2015-01-26 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Crystal structure of M. chilensis Mg662 protein complexed with GTP
To Be Published
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4XVX
 | | Crystal structure of an acyl-ACP dehydrogenase | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, Acyl-[acyl-carrier-protein] dehydrogenase MbtN, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | | Authors: | Chai, A, Johnston, J.M, Bunker, R.D, Lott, J.S, Baker, E.N, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2015-01-28 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A covalent adduct of MbtN, an acyl-ACP dehydrogenase from Mycobacterium tuberculosis, reveals an unusual acyl-binding pocket.
Acta Crystallogr.,Sect.D, 71, 2015
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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: | 2024-11-06 | | 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: | 2024-10-16 | | 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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6U7F
 | | HCoV-229E RBD Class IV in complex with human APN | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aminopeptidase N, ... | | Authors: | Tomlinson, A.C.A, Li, Z, Rini, J.M. | | Deposit date: | 2019-09-02 | | Release date: | 2019-11-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The human coronavirus HCoV-229E S-protein structure and receptor binding.
Elife, 8, 2019
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4Y0A
 | | Shikimate kinase from Acinetobacter baumannii in complex with shikimate | | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, SULFATE ION, Shikimate kinase | | Authors: | Sutton, K.A, Breen, J, MacDonald, U, Beanan, J.M, Olson, R, Russo, T.A, Schultz, L.W, Umland, T.C. | | Deposit date: | 2015-02-05 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.911 Å) | | Cite: | Structure of shikimate kinase, an in vivo essential metabolic enzyme in the nosocomial pathogen Acinetobacter baumannii, in complex with shikimate.
Acta Crystallogr.,Sect.D, 71, 2015
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6U9O
 | | Human IMPDH2 treated with ATP, IMP, NAD+, and 2 mM GTP. Fully compressed filament segment reconstruction. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | | Authors: | Johnson, M.C, Kollman, J.M. | | Deposit date: | 2019-09-09 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.36 Å) | | Cite: | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
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1KSI
 | | CRYSTAL STRUCTURE OF A EUKARYOTIC (PEA SEEDLING) COPPER-CONTAINING AMINE OXIDASE AT 2.2A RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | | Authors: | Wilce, M.C.J, Kumar, V, Freeman, H.C, Guss, J.M. | | Deposit date: | 1996-07-20 | | Release date: | 1997-12-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a eukaryotic (pea seedling) copper-containing amine oxidase at 2.2 A resolution.
Structure, 4, 1996
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1KEY
 | | Crystal Structure of Mouse Testis/Brain RNA-binding Protein (TB-RBP) | | Descriptor: | translin | | Authors: | Pascal, J.M, Hart, P.J, Hecht, N.B, Robertus, J.D. | | Deposit date: | 2001-11-19 | | Release date: | 2002-07-03 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal Structure of TB-RBP, a Novel RNA-binding and Regulating Protein
J.Mol.Biol., 319, 2002
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1KJ5
 | | Solution Structure of Human beta-defensin 1 | | Descriptor: | BETA-DEFENSIN 1 | | Authors: | Schibli, D.J, Hunter, H.N, Aseyev, V, Starner, T.D, Wiencek, J.M, McCray Jr, P.B, Tack, B.F, Vogel, H.J. | | Deposit date: | 2001-12-04 | | Release date: | 2002-03-20 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The solution structures of the human beta-defensins lead to a better understanding of the potent bactericidal activity of HBD3 against Staphylococcus aureus.
J.Biol.Chem., 277, 2002
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7QV7
 | | Cryo-EM structure of Hydrogen-dependent CO2 reductase. | | Descriptor: | Hydrogen dependent carbon dioxide reductase subunit FdhF, Hydrogen dependent carbon dioxide reductase subunit HycB3, Hydrogen dependent carbon dioxide reductase subunit HycB4, ... | | Authors: | Dietrich, H.M, Righetto, R.D, Kumar, A, Wietrzynski, W, Schuller, S.K, Trischler, R, Wagner, J, Schwarz, F.M, Engel, B.D, Mueller, V, Schuller, J.M. | | Deposit date: | 2022-01-19 | | Release date: | 2022-07-06 | | Last modified: | 2022-08-10 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Membrane-anchored HDCR nanowires drive hydrogen-powered CO 2 fixation.
Nature, 607, 2022
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1KWA
 | | HUMAN CASK/LIN-2 PDZ DOMAIN | | Descriptor: | HCASK/LIN-2 PROTEIN, SULFATE ION | | Authors: | Daniels, D.L, Cohen, A.R, Anderson, J.M, Brunger, A.T. | | Deposit date: | 1998-01-16 | | Release date: | 1998-05-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal structure of the hCASK PDZ domain reveals the structural basis of class II PDZ domain target recognition
Nat.Struct.Biol., 5, 1998
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6TY6
 | | Variant W229D/F290W-2 of the last common ancestor of Gram-negative bacteria beta-lactamase class A (GNCA4) bound to 5(6)-nitrobenzotriazole (TS-analog) | | Descriptor: | 6-NITROBENZOTRIAZOLE, ACETATE ION, Beta lactamase (GNCA4-2), ... | | Authors: | Gavira, J.A, Risso, V, Sanchez-Ruiz, J.M, Romero-Rivera, A, Kamerlin, S.C.L, Ortega-Munoz, M, Santoyo-Gonzalez, F. | | Deposit date: | 2020-01-15 | | Release date: | 2020-06-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Enhancing ade novoenzyme activity by computationally-focused ultra-low-throughput screening.
Chem Sci, 11, 2020
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7LJH
 | | Structure of poly(aspartic acid) hydrolase PahZ2 with Zn+2 bound | | Descriptor: | Poly(Aspartic acid) hydrolase, ZINC ION | | Authors: | Brambley, C.A, Yared, T.J, Gonzalez, M, Jansch, A.L, Wallen, J.R, Weiland, M.H, Miller, J.M. | | Deposit date: | 2021-01-29 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Sphingomonas sp. KT-1 PahZ2 Structure Reveals a Role for Conformational Dynamics in Peptide Bond Hydrolysis.
J.Phys.Chem.B, 125, 2021
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7LJI
 | | Structure of poly(aspartic acid) hydrolase PahZ2 with Gd+3 bound | | Descriptor: | GADOLINIUM ION, Poly(Aspartic acid) hydrolase | | Authors: | Brambley, C.A, Yared, T.J, Gonzalez, M, Jansch, A.L, Wallen, J.R, Weiland, M.H, Miller, J.M. | | Deposit date: | 2021-01-29 | | Release date: | 2021-12-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Sphingomonas sp. KT-1 PahZ2 Structure Reveals a Role for Conformational Dynamics in Peptide Bond Hydrolysis.
J.Phys.Chem.B, 125, 2021
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4XKS
 | | E. coli BFR variant Y45F | | Descriptor: | Bacterioferritin, SULFATE ION | | Authors: | Hemmings, A.M, Le Brun, N.E, Bradley, J.M. | | Deposit date: | 2015-01-12 | | Release date: | 2015-12-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Three Aromatic Residues are Required for Electron Transfer during Iron Mineralization in Bacterioferritin.
Angew.Chem.Int.Ed.Engl., 54, 2015
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7LO9
 | | RNA dodecamer containing a GNA A residue | | Descriptor: | Chains: A,B,C,D | | Authors: | Harp, J.M, Wawrzak, Z, Egli, M. | | Deposit date: | 2021-02-09 | | Release date: | 2021-12-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Overcoming GNA/RNA base-pairing limitations using isonucleotides improves the pharmacodynamic activity of ESC+ GalNAc-siRNAs.
Nucleic Acids Res., 49, 2021
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7QLJ
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1KJL
 | | High Resolution X-Ray Structure of Human Galectin-3 in complex with LacNAc | | Descriptor: | BROMIDE ION, CHLORIDE ION, Galectin-3, ... | | Authors: | Sorme, P, Arnoux, P, Kahl-Knutsson, B, Leffler, H, Rini, J.M, Nilsson, U.J. | | Deposit date: | 2001-12-04 | | Release date: | 2005-04-12 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural and thermodynamic studies on cation-Pi interactions in lectin-ligand complexes: high-affinity galectin-3 inhibitors through fine-tuning of an arginine-arene interaction.
J.Am.Chem.Soc., 127, 2005
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5V2H
 | | RNA octamer containing glycol nucleic acid, SgnT | | Descriptor: | COBALT HEXAMMINE(III), MAGNESIUM ION, RNA (5'-R(*(CBV)P*GP*AP*AP*(ZTH)P*UP*CP*G)-3') | | Authors: | Harp, J.M, Egli, M. | | Deposit date: | 2017-03-04 | | Release date: | 2017-06-14 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.080013 Å) | | Cite: | Chirality Dependent Potency Enhancement and Structural Impact of Glycol Nucleic Acid Modification on siRNA.
J. Am. Chem. Soc., 139, 2017
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6UA5
 | | Human IMPDH2 treated with ATP, IMP, NAD+, and 2 mM GTP. Free interfacial octamer reconstruction. | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Johnson, M.C, Kollman, J.M. | | Deposit date: | 2019-09-10 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.79 Å) | | Cite: | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
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4XS0
 | | Human methemoglobin in complex with the second and third NEAT domains of IsdH(F365Y/A369F/Y642A) from Staphylococcus aureus | | Descriptor: | CHLORIDE ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Dickson, C.F, Jacques, D.A, Guss, J.M, Gell, D.A. | | Deposit date: | 2015-01-21 | | Release date: | 2015-06-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | The structure of haemoglobin bound to the haemoglobin receptor IsdH from Staphylococcus aureus shows disruption of the native alpha-globin haem pocket.
Acta Crystallogr.,Sect.D, 71, 2015
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6U8S
 | | Human IMPDH2 treated with ATP, IMP, NAD+, and 2 mM GTP. Filament assembly interface reconstruction. | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Johnson, M.C, Kollman, J.M. | | Deposit date: | 2019-09-05 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
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6UA2
 | | Human IMPDH2 treated with ATP, IMP, NAD+, and 2 mM GTP. Bent (2/4 compressed, 2/4 extended) segment reconstruction. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | | Authors: | Johnson, M.C, Kollman, J.M. | | Deposit date: | 2019-09-10 | | Release date: | 2020-03-25 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Cryo-EM structures demonstrate human IMPDH2 filament assembly tunes allosteric regulation.
Elife, 9, 2020
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8ERD
 | | Cyclin-free CDK2 in complex with Cpd17 | | Descriptor: | (2-{[1-(methanesulfonyl)piperidin-4-yl]amino}quinazolin-7-yl)[(2S)-2-methylpyrrolidin-1-yl]methanone, Cyclin-dependent kinase 2 | | Authors: | Murray, J.M, Oh, A. | | Deposit date: | 2022-10-11 | | Release date: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.33 Å) | | Cite: | Cyclin-free CDK2 in complex with Cpd17
To Be Published
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