1SZX
 
 | | Role Of Hydrogen Bonding In The Active Site Of Human Manganese Superoxide Dismutase | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Greenleaf, W.B, Perry, J.J, Hearn, A.S, Cabelli, D.E, Lepock, J.R, Stroupe, M.E, Tainer, J.A, Nick, H.S, Silverman, D.N. | | Deposit date: | 2004-04-06 | | Release date: | 2004-04-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Role of hydrogen bonding in the active site of human manganese superoxide dismutase.
Biochemistry, 43, 2004
|
|
3E67
 | | Murine inos dimer with inhibitor 4-MAP bound | | Descriptor: | 4-METHYLPYRIDIN-2-AMINE, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-14 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
|
|
3E6T
 | | Structure of murine INOS oxygenase domain with inhibitor AR-C118901 | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO-1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]-1-YLCARBONYL)PICOLINONITRILE, Nitric oxide synthase, ... | | Authors: | Garcin, E.D, Arvai, A.S, Rosenfeld, R.J, Kroeger, M.D, Crane, B.R, Andersson, G, Andrews, G, Hamley, P.J, Mallinder, P.R, Nicholls, D.J, St-Gallay, S.A, Tinker, A.C, Gensmantel, N.P, Mete, A, Cheshire, D.R, Connolly, S, Stueh, D.J, Aberg, A, Wallace, A.V, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2008-08-15 | | Release date: | 2008-10-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.
Nat.Chem.Biol., 4, 2008
|
|
3FY4
 | | (6-4) Photolyase Crystal Structure | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-4 photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Hitomi, K, Arvai, A.S, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2009-01-21 | | Release date: | 2009-04-28 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Functional motifs in the (6-4) photolyase crystal structure make a comparative framework for DNA repair photolyases and clock cryptochromes.
Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
4HD0
 | | Mre11 ATLD17/18 mutation retains Tel1/ATM activity but blocks DNA double-strand break repair | | Descriptor: | DNA double-strand break repair protein Mre11, MANGANESE (II) ION | | Authors: | Limbo, O, Moiani, D, Kertokalio, A, Wyman, C, Tainer, J.A, Russell, P. | | Deposit date: | 2012-10-01 | | Release date: | 2012-10-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Mre11 ATLD17/18 mutation retains Tel1/ATM activity but blocks DNA double-strand break repair.
Nucleic Acids Res., 40, 2012
|
|
1T6U
 | | Nickel Superoxide Dismutase (NiSOD) Native 1.30 A Structure | | Descriptor: | NICKEL (II) ION, Superoxide dismutase [Ni] | | Authors: | Barondeau, D.P, Kassmann, C.J, Bruns, C.K, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2004-05-07 | | Release date: | 2004-07-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Nickel superoxide dismutase structure and mechanism.
Biochemistry, 43, 2004
|
|
1T6Q
 | | Nickel Superoxide Dismutase (NiSOD) CN-treated Apo Structure | | Descriptor: | Superoxide dismutase [Ni] | | Authors: | Barondeau, D.P, Kassmann, C.J, Bruns, C.K, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2004-05-07 | | Release date: | 2004-07-13 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Nickel superoxide dismutase structure and mechanism.
Biochemistry, 43, 2004
|
|
1TLL
 | | CRYSTAL STRUCTURE OF RAT NEURONAL NITRIC-OXIDE SYNTHASE REDUCTASE MODULE AT 2.3 A RESOLUTION. | | Descriptor: | FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Garcin, E.D, Bruns, C.M, Lloyd, S.J, Hosfield, D.J, Tiso, M, Gachhui, R, Stuehr, D.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2004-06-09 | | Release date: | 2004-08-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for isozyme-specific regulation of electron transfer in nitric-oxide synthase
J.Biol.Chem., 279, 2004
|
|
7KXB
 | | Crystal structure of SARS-CoV-2 Nsp3 Macrodomain complex with PARG329 | | Descriptor: | BETA-MERCAPTOETHANOL, N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea, Non-structural protein 3, ... | | Authors: | Arvai, A, Brosey, C.A, Bommagani, S, Link, T, Jones, D.E, Ahmed, Z, Tainer, J.A. | | Deposit date: | 2020-12-03 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
|
|
2G4C
 | | Crystal Structure of human DNA polymerase gamma accessory subunit | | Descriptor: | DNA polymerase gamma subunit 2 | | Authors: | Fan, L, Farr, C.L, Kaguni, L.S, Tainer, J.A. | | Deposit date: | 2006-02-22 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | A novel processive mechanism for DNA synthesis revealed by structure, modeling and mutagenesis of the accessory subunit of human mitochondrial DNA polymerase
J.Mol.Biol., 358, 2006
|
|
7KG1
 | | Structure of human PARG complexed with PARG-002 | | Descriptor: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]amino}-3,7-dihydro-1H-purine-2,6-dione, CACODYLATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | | Deposit date: | 2020-10-15 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
|
|
7KFP
 | | Structure of human PARG complexed with PARG-119 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-{[2-(1,3-dimethyl-2-oxo-6-sulfanylidene-1,2,3,6-tetrahydro-7H-purin-7-yl)ethyl]carbamoyl}methanesulfonamide, ... | | Authors: | Brosey, C.A, Bommagani, S, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | | Deposit date: | 2020-10-14 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
|
|
7KG0
 | | Structure of human PARG complexed with PARG-131 | | Descriptor: | 1,2-ETHANEDIOL, 5-({4-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]phenyl}methyl)pyrimidine-2,4,6(1H,3H,5H)-trione, Poly(ADP-ribose) glycohydrolase, ... | | Authors: | Arvai, A, Bommagani, S, Brosey, C.A, Jones, D.E, Warden, L.S, Ahmed, Z, Tainer, J.A. | | Deposit date: | 2020-10-15 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
|
|
7KG7
 | | Structure of human PARG complexed with PARG-292 | | Descriptor: | 8-{[2-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)ethyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione, DIMETHYL SULFOXIDE, Poly(ADP-ribose) glycohydrolase, ... | | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | | Deposit date: | 2020-10-16 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
|
|
7KG6
 | | Structure of human PARG complexed with PARG-322 | | Descriptor: | 1-{2-[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]ethyl}piperidine-4-carboxylic acid, Poly(ADP-ribose) glycohydrolase | | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | | Deposit date: | 2020-10-16 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
|
|
7KG8
 | | Structure of human PARG complexed with PARG-061 | | Descriptor: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-6-sulfanylidene-1,3,6,7-tetrahydro-2H-purin-2-one, CACODYLATE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Brosey, C.A, Balapiti-Modarage, L.P.F, Warden, L.S, Jones, D.E, Ahmed, Z, Tainer, J.A. | | Deposit date: | 2020-10-16 | | Release date: | 2021-03-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
|
|
1I3A
 | | RNASE HII FROM ARCHAEOGLOBUS FULGIDUS WITH COBALT HEXAMMINE CHLORIDE | | Descriptor: | COBALT HEXAMMINE(III), RIBONUCLEASE HII | | Authors: | Chapados, B.R, Chai, Q, Hosfield, D.J, Qiu, J, Shen, B, Tainer, J.A. | | Deposit date: | 2001-02-13 | | Release date: | 2001-04-11 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural biochemistry of a type 2 RNase H: RNA primer recognition and removal during DNA replication.
J.Mol.Biol., 307, 2001
|
|
1IN4
 | |
2HCG
 | | Structure of S65T Y66F GFP variant after cyclization, carbon-carbon bond cleavage, and oxygen incorporation reactions | | Descriptor: | Green fluorescent protein, MAGNESIUM ION | | Authors: | Barondeau, D.P, Kassmann, C.J, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2006-06-16 | | Release date: | 2007-03-27 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The Case of the Missing Ring: Radical Cleavage of a Carbon-Carbon Bond and Implications for GFP Chromophore Biosynthesis
J.Am.Chem.Soc., 129, 2007
|
|
2HJO
 | | Crystal structure of V224H design intermediate for GFP metal ion reporter | | Descriptor: | 1,2-ETHANEDIOL, Green Fluorescent Protein, MAGNESIUM ION | | Authors: | Barondeau, D.P, Tubbs, J.L, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2006-06-30 | | Release date: | 2008-04-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Iterative Structure-Based Design of a Green
Fluorescent Protein Metal Ion Reporter
To be Published
|
|
1II8
 | | Crystal structure of the P. furiosus Rad50 ATPase domain | | Descriptor: | PHOSPHATE ION, Rad50 ABC-ATPase | | Authors: | Hopfner, K.-P, Karcher, A, Craig, L, Woo, T.T, Carney, J.P, Tainer, J.A. | | Deposit date: | 2001-04-20 | | Release date: | 2001-05-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Structural biochemistry and interaction architecture of the DNA double-strand break repair Mre11 nuclease and Rad50-ATPase.
Cell(Cambridge,Mass.), 105, 2001
|
|
2HQZ
 | | Crystal structure of L42H design intermediate for GFP metal ion reporter | | Descriptor: | 1,2-ETHANEDIOL, Green fluorescent protein, MAGNESIUM ION | | Authors: | Barondeau, D.P, Tubbs, J.L, Tainer, J.A, Getzoff, E.D. | | Deposit date: | 2006-07-19 | | Release date: | 2008-04-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Iterative Structure-Based Design of a Green Fluorescent Protein Metal Ion Reporter
To be Published
|
|
2HIL
 | | Structure of the Neisseria gonorrhoeae Type IV pilus filament from x-ray crystallography and electron cryomicroscopy | | Descriptor: | Fimbrial protein, PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER, alpha-D-galactopyranose-(1-3)-2,4-bisacetamido-2,4-dideoxy-beta-D-glucopyranose | | Authors: | Craig, L, Volkmann, N, Egelman, E.H, Tainer, J.A. | | Deposit date: | 2006-06-29 | | Release date: | 2006-09-12 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (12.5 Å) | | Cite: | Type IV Pilus Structure by Cryo-Electron Microscopy and Crystallography: Implications for Pilus Assembly and Functions.
Mol.Cell, 23, 2006
|
|
7LG7
 | | Crystal structure of CoV-2 Nsp3 Macrodomain complex with PARG345 | | Descriptor: | 3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide, Non-structural protein 3, SULFATE ION | | Authors: | Arvai, A, Brosey, C.A, Bommagani, S, Link, T, Jones, D.E, Ahmed, Z, Tainer, J.A. | | Deposit date: | 2021-01-19 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Targeting SARS-CoV-2 Nsp3 macrodomain structure with insights from human poly(ADP-ribose) glycohydrolase (PARG) structures with inhibitors.
Prog.Biophys.Mol.Biol., 163, 2021
|
|
1IN6
 | | THERMOTOGA MARITIMA RUVB K64R MUTANT | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, COBALT (II) ION, ... | | Authors: | Putnam, C.D, Clancy, S.B, Tsuruta, H, Wetmur, J.G, Tainer, J.A. | | Deposit date: | 2001-05-12 | | Release date: | 2001-08-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and mechanism of the RuvB Holliday junction branch migration motor.
J.Mol.Biol., 311, 2001
|
|
