1LD3
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![BU of 1ld3 by Molmil](/molmil-images/mine/1ld3) | Crystal Structure of B. subilis ferrochelatase with Zn(2+) bound at the active site. | Descriptor: | Ferrochelatase, ZINC ION | Authors: | Lecerof, D, Fodje, M.N, Leon, R.A, Olsson, U, Hansson, A, Sigfridsson, E, Ryde, U, Hansson, M, Al-Karadaghi, S. | Deposit date: | 2002-04-08 | Release date: | 2003-05-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Metal binding to Bacillus subtilis ferrochelatase and interaction between metal sites J.Biol.Inorg.Chem., 8, 2003
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1N0I
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![BU of 1n0i by Molmil](/molmil-images/mine/1n0i) | Crystal Structure of Ferrochelatase with Cadmium bound at active site | Descriptor: | CADMIUM ION, CHLORIDE ION, Ferrochelatase, ... | Authors: | Lecerof, D, Fodje, M.N, Leon, R.A, Olsson, U, Hansson, A, Sigfridsson, E, Ryde, U, Hansson, M, Al-Karadaghi, S. | Deposit date: | 2002-10-14 | Release date: | 2003-05-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Metal binding to Bacillus subtilis ferrochelatase and interaction between metal sites J.Biol.Inorg.Chem., 8, 2003
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2XG3
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![BU of 2xg3 by Molmil](/molmil-images/mine/2xg3) | Human galectin-3 in complex with a benzamido-N-acetyllactoseamine inhibitor | Descriptor: | BENZAMIDE, CHLORIDE ION, Galectin-3, ... | Authors: | Diehl, C, Engstrom, O, Delaine, T, Hakansson, M, Genheden, S, Modig, K, Leffler, H, Ryde, U, Nilsson, U, Akke, M. | Deposit date: | 2010-05-30 | Release date: | 2010-10-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Protein flexibility and conformational entropy in ligand design targeting the carbohydrate recognition domain of galectin-3. J. Am. Chem. Soc., 132, 2010
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2FQL
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6RZI
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![BU of 6rzi by Molmil](/molmil-images/mine/6rzi) | Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:1(Hydrogen) | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION | Authors: | Kumar, R, Verteramo, M.L, 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 (1.095 Å) | Cite: | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
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6RZJ
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![BU of 6rzj by Molmil](/molmil-images/mine/6rzj) | Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:2(Fluorine) | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION | Authors: | Kumar, R, Verteramo, M.L, 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 (1.097 Å) | Cite: | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
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6RZM
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![BU of 6rzm by Molmil](/molmil-images/mine/6rzm) | Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:5(Iodine) | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kumar, R, Verteramo, M.L, 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 (1.345 Å) | Cite: | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
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3ZSJ
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![BU of 3zsj by Molmil](/molmil-images/mine/3zsj) | Crystal structure of Human Galectin-3 CRD in complex with Lactose at 0.86 angstrom resolution | Descriptor: | GALECTIN-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | Authors: | Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T. | Deposit date: | 2011-06-28 | Release date: | 2011-12-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.86 Å) | Cite: | The Carbohydrate-Binding Site in Galectin-3 is Pre-Organized to Recognize a Sugar-Like Framework of Oxygens: Ultra-High Resolution Structures and Water Dynamics. Biochemistry, 51, 2012
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3ZSK
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![BU of 3zsk by Molmil](/molmil-images/mine/3zsk) | Crystal structure of Human Galectin-3 CRD with glycerol bound at 0.90 angstrom resolution | Descriptor: | GALECTIN-3, GLYCEROL | Authors: | Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T. | Deposit date: | 2011-06-28 | Release date: | 2011-12-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | The Carbohydrate-Binding Site in Galectin-3 is Pre-Organized to Recognize a Sugar-Like Framework of Oxygens: Ultra-High Resolution Structures and Water Dynamics. Biochemistry, 51, 2012
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3ZSM
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![BU of 3zsm by Molmil](/molmil-images/mine/3zsm) | Crystal structure of Apo Human Galectin-3 CRD at 1.25 angstrom resolution, at room temperature | Descriptor: | GALECTIN-3 | Authors: | Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T. | Deposit date: | 2011-06-28 | Release date: | 2011-12-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | The Carbohydrate-Binding Site in Galectin-3 is Pre-Organized to Recognize a Sugar-Like Framework of Oxygens: Ultra-High Resolution Structures and Water Dynamics. Biochemistry, 51, 2012
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3ZSL
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![BU of 3zsl by Molmil](/molmil-images/mine/3zsl) | Crystal structure of Apo Human Galectin-3 CRD at 1.08 angstrom resolution, at cryogenic temperature | Descriptor: | GALECTIN-3 | Authors: | Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T. | Deposit date: | 2011-06-28 | Release date: | 2011-12-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | The Carbohydrate-Binding Site in Galectin-3 is Pre-Organized to Recognize a Sugar-Like Framework of Oxygens: Ultra-High Resolution Structures and Water Dynamics. Biochemistry, 51, 2012
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6RZH
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![BU of 6rzh by Molmil](/molmil-images/mine/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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6RZG
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![BU of 6rzg by Molmil](/molmil-images/mine/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
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![BU of 6rzf by Molmil](/molmil-images/mine/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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4EC2
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![BU of 4ec2 by Molmil](/molmil-images/mine/4ec2) | Crystal structure of trimeric frataxin from the yeast Saccharomyces cerevisiae, complexed with ferrous | Descriptor: | FE (II) ION, Frataxin homolog, mitochondrial | Authors: | Soderberg, C.A.G, Rajan, S, Gakh, O, Isaya, G, Al-Karadaghi, S. | Deposit date: | 2012-03-26 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.002 Å) | Cite: | The molecular basis of iron-induced oligomerization of frataxin and the role of the ferroxidation reaction in oligomerization. J.Biol.Chem., 288, 2013
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6I76
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![BU of 6i76 by Molmil](/molmil-images/mine/6i76) | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative-3 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azido-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2018-11-15 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem., 17, 2019
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6I77
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![BU of 6i77 by Molmil](/molmil-images/mine/6i77) | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative-4 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-4-[4-[4-azanyl-2,3,5,6-tetrakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2018-11-15 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.219 Å) | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem., 17, 2019
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6I78
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![BU of 6i78 by Molmil](/molmil-images/mine/6i78) | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 5 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-(methylamino)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2018-11-15 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem., 17, 2019
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6I75
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![BU of 6i75 by Molmil](/molmil-images/mine/6i75) | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 2 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2018-11-15 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.171 Å) | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem., 17, 2019
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6I74
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![BU of 6i74 by Molmil](/molmil-images/mine/6i74) | Galectin-3C in complex with substituted polyfluoroaryl monothiogalactoside derivative 1 | Descriptor: | (2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyl-4-[4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2018-11-15 | Release date: | 2019-01-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.959 Å) | Cite: | Substituted polyfluoroaryl interactions with an arginine side chain in galectin-3 are governed by steric-, desolvation and electronic conjugation effects. Org. Biomol. Chem., 17, 2019
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7ABX
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![BU of 7abx by Molmil](/molmil-images/mine/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
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![BU of 7az9 by Molmil](/molmil-images/mine/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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7AZ3
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![BU of 7az3 by Molmil](/molmil-images/mine/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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7AZA
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![BU of 7aza by Molmil](/molmil-images/mine/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
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![BU of 7az4 by Molmil](/molmil-images/mine/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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