6HEF
| Room temperature structure of the (SR)Ca2+-ATPase Ca2-E1-CaAMPPCP form | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Hjorth-Jensen, S, Sorensen, T.L.M, Oksanen, E, Andersen, J.L, Olesen, C, Moller, J.V, Nissen, P. | Deposit date: | 2018-08-20 | Release date: | 2018-08-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.538 Å) | Cite: | Membrane-protein crystals for neutron diffraction. Acta Crystallogr D Struct Biol, 74, 2018
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7ABX
| Perdeuterated E65Q-TIM complexed with 2-PHOSPHOGLYCOLIC ACID | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase | Authors: | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | Deposit date: | 2020-09-09 | Release date: | 2021-07-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps. Iucrj, 8, 2021
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7AZ9
| Perdeuterated E65Q-TIM complexed with PHOSPHOGLYCOLOHYDROXAMATE | Descriptor: | PHOSPHOGLYCOLOHYDROXAMIC ACID, Triosephosphate isomerase | Authors: | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | Deposit date: | 2020-11-16 | Release date: | 2021-07-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | Cite: | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps. Iucrj, 8, 2021
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7AZA
| Perdeuterated E65Q-TIM complexed with PHOSPHOGLYCOLOHYDROXAMATE | Descriptor: | PHOSPHOGLYCOLOHYDROXAMIC ACID, Triosephosphate isomerase | Authors: | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | Deposit date: | 2020-11-16 | Release date: | 2021-07-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | Cite: | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps. Iucrj, 8, 2021
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7AZ4
| Perdeuterated E65Q-TIM complexed with 2-PHOSPHOGLYCOLIC ACID | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase | Authors: | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | Deposit date: | 2020-11-16 | Release date: | 2021-07-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.15 Å), X-RAY DIFFRACTION | Cite: | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps. Iucrj, 8, 2021
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7AZ3
| Perdeuterated E65Q-TIM complexed with 2-PHOSPHOGLYCOLIC ACID | Descriptor: | 2-PHOSPHOGLYCOLIC ACID, Triosephosphate isomerase | Authors: | Kelpsas, V, Caldararu, O, von Wachenfeldt, C, Oksanen, E. | Deposit date: | 2020-11-16 | Release date: | 2021-07-28 | Last modified: | 2024-05-01 | Method: | NEUTRON DIFFRACTION (1.15 Å), X-RAY DIFFRACTION | Cite: | Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps. Iucrj, 8, 2021
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4KFR
| Structure of the genome packaging NTPase B204 from Sulfolobus turreted icosahedral virus 2 in complex with sulfate | Descriptor: | Genome packaging NTPase B204, MAGNESIUM ION, SULFATE ION | Authors: | Happonen, L.J, Oksanen, E, Goldman, A, Kajander, T, Butcher, S. | Deposit date: | 2013-04-27 | Release date: | 2013-05-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.956 Å) | Cite: | The Structure of the NTPase That Powers DNA Packaging into Sulfolobus Turreted Icosahedral Virus 2. J.Virol., 87, 2013
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4KFS
| Structure of the genome packaging NTPase B204 from Sulfolobus turreted icosahedral virus 2 in complex with AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, CITRATE ANION, Genome packaging NTPase B204, ... | Authors: | Happonen, L.J, Oksanen, E, Kajander, T, Goldman, A, Butcher, S. | Deposit date: | 2013-04-27 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.946 Å) | Cite: | The Structure of the NTPase That Powers DNA Packaging into Sulfolobus Turreted Icosahedral Virus 2. J.Virol., 87, 2013
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4KFT
| Structure of the genome packaging NTPase B204 from Sulfolobus turreted icosahedral virus 2 in complex with ATP-gammaS | Descriptor: | CHLORIDE ION, CITRATE ANION, Genome packaging NTPase B204, ... | Authors: | Happonen, L.J, Oksanen, E, Kajander, T, Goldman, A, Butcher, S. | Deposit date: | 2013-04-27 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.241 Å) | Cite: | The Structure of the NTPase That Powers DNA Packaging into Sulfolobus Turreted Icosahedral Virus 2. J.Virol., 87, 2013
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4KFU
| Structure of the genome packaging NTPase B204 from Sulfolobus turreted icosahedral virus 2 in complex with AMPPCP | Descriptor: | CITRATE ANION, Genome packaging NTPase B204, MAGNESIUM ION, ... | Authors: | Happonen, L.J, Oksanen, E, Kajander, T, Goldman, A, Butcher, S. | Deposit date: | 2013-04-27 | Release date: | 2013-05-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | The Structure of the NTPase That Powers DNA Packaging into Sulfolobus Turreted Icosahedral Virus 2. J.Virol., 87, 2013
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2AWW
| Synapse associated protein 97 PDZ2 domain variant C378G with C-terminal GluR-A peptide | Descriptor: | 18-residue C-terminal peptide from glutamate receptor, ionotropic, AMPA1, ... | Authors: | Von Ossowski, I, Oksanen, E, Von Ossowski, L, Cai, C, Sundberg, M, Goldman, A, Keinanen, K. | Deposit date: | 2005-09-02 | Release date: | 2006-08-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Crystal structure of the second PDZ domain of SAP97 in complex with a GluR-A C-terminal peptide Febs J., 273, 2006
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2AWX
| Synapse associated protein 97 PDZ2 domain variant C378S | Descriptor: | HISTIDINE, Synapse associated protein 97 | Authors: | Von Ossowski, I, Oksanen, E, Von Ossowski, L, Cai, C, Sundberg, M, Goldman, A, Keinanen, K. | Deposit date: | 2005-09-02 | Release date: | 2006-08-29 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the second PDZ domain of SAP97 in complex with a GluR-A C-terminal peptide Febs J., 273, 2006
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2AWU
| Synapse associated protein 97 PDZ2 domain variant C378G | Descriptor: | AHH, Synapse-associated protein 97 | Authors: | Von Ossowski, I, Oksanen, E, Von Ossowski, L, Cai, C, Sundberg, M, Goldman, A, Keinanen, K. | Deposit date: | 2005-09-02 | Release date: | 2006-08-29 | Last modified: | 2021-11-10 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal structure of the second PDZ domain of SAP97 in complex with a GluR-A C-terminal peptide Febs J., 273, 2006
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2J6X
| The crystal structure of lactate oxidase | Descriptor: | FLAVIN MONONUCLEOTIDE, LACTATE OXIDASE, ZINC ION | Authors: | Leiros, I, Wang, E, Rasmussen, T, Oksanen, E, Repo, H, Petersen, S.B, Heikinheimo, P, Hough, E. | Deposit date: | 2006-10-05 | Release date: | 2006-10-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The 2.1 A Structure of Aerococcus Viridans L-Lactate Oxidase (Lox). Acta Crystallogr.,Sect.F, 62, 2006
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6QGE
| Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-01-11 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding. J. Am. Chem. Soc., 141, 2019
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6QGF
| Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-01-11 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding. J. Am. Chem. Soc., 141, 2019
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2IW4
| CRYSTAL STRUCTURE OF BASILLUS SUBTILIS FAMILY II INORGANIC PYROPHOSPHATASE MUTANT, H98Q, IN COMPLEX WITH PNP | Descriptor: | FE (III) ION, GLYCEROL, IMIDODIPHOSPHORIC ACID, ... | Authors: | Fabrichniy, I.P, Lehtio, L, Oksanen, E, Goldman, A. | Deposit date: | 2006-06-26 | Release date: | 2006-11-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Trimetal Site and Substrate Distortion in a Family II Inorganic Pyrophosphatase. J.Biol.Chem., 282, 2007
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5LS0
| Crystal structure of Inorganic Pyrophosphatase PPA1 from Arabidopsis thaliana | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Soluble inorganic pyrophosphatase 1 | Authors: | Grzechowiak, M, Sikorski, M, Jaskolski, M. | Deposit date: | 2016-08-22 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Crystal structures of plant inorganic pyrophosphatase, an enzyme with a moonlighting autoproteolytic activity. Biochem.J., 476, 2019
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6RZG
| Galectin-3C in complex with meta-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.015 Å) | Cite: | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C. Jacs Au, 1, 2021
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6RZF
| Galectin-3C in complex with ortho-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.016 Å) | Cite: | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C. Jacs Au, 1, 2021
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6RHL
| Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-04-22 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.299 Å) | Cite: | Are crystallographic B-factors suitable for calculating protein conformational entropy? Phys Chem Chem Phys, 21, 2019
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6RHM
| Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer | Descriptor: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-04-22 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.596 Å) | Cite: | Are crystallographic B-factors suitable for calculating protein conformational entropy? Phys Chem Chem Phys, 21, 2019
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6RZH
| Galectin-3C in complex with para-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.947 Å) | Cite: | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C. Jacs Au, 1, 2021
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