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PDB: 101 results

7RF4
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RT XFEL structure of Photosystem II 50 microseconds after the second illumination at 2.27 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2021-07-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF2
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RT XFEL structure of dark-stable state of Photosystem II (0F, S1 rich) at 2.08 Angstrom
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2021-07-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF8
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RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.09 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2021-07-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF3
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RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.26 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2021-07-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RF7
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RT XFEL structure of Photosystem II 400 microseconds after the second illumination at 2.09 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2021-07-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
4LT5
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Structure of a Naegleria Tet-like dioxygenase in complex with 5-methylcytosine DNA
Descriptor: 1,2-ETHANEDIOL, DNA, MANGANESE (II) ION, ...
Authors:Hashimoto, H, Pais, J.E, Zhang, X, Saleh, L, Fu, Z.Q, Dai, N, Correa, I.R, Roberts, R.J, Zheng, Y, Cheng, X.
Deposit date:2013-07-23
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.893 Å)
Cite:Structure of a Naegleria Tet-like dioxygenase in complex with 5-methylcytosine DNA.
Nature, 506, 2014
7RF5
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RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.23 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2021-07-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RSJ
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Structure of the VPS34 kinase domain with compound 14
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ...
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
7RF1
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BU of 7rf1 by Molmil
RT XFEL structure of Photosystem II averaged across all S-states at 1.89 Angstrom resolution
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Hussein, R, Ibrahim, M, Bhowmick, A, Simon, P.S, Chatterjee, R, Lassalle, L, Doyle, M.D, Bogacz, I, Kim, I.-S, Cheah, M.H, Gul, S, de Lichtenberg, C, Chernev, P, Pham, C.C, Young, I.D, Carbajo, S, Fuller, F.D, Alonso-Mori, R, Batyuk, A, Sutherlin, K.D, Brewster, A.S, Bolotovski, R, Mendez, D, Holton, J.M, Moriarty, N.W, Adams, P.D, Bergmann, U, Sauter, N.K, Dobbek, H, Messinger, J, Zouni, A, Kern, J, Yachandra, V.K, Yano, J.
Deposit date:2021-07-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural dynamics in the water and proton channels of photosystem II during the S 2 to S 3 transition.
Nat Commun, 12, 2021
7RSP
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Structure of the VPS34 kinase domain with compound 14
Descriptor: (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
7RSV
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Structure of the VPS34 kinase domain with compound 5
Descriptor: (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ...
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
5ACM
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BU of 5acm by Molmil
Mcg immunoglobulin variable domain with methylene blue
Descriptor: 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, GLYCEROL, MCG, ...
Authors:Brumshtein, B, Esswein, S.R, Salwinski, L, Phillips, M.L, Ly, A.T, Cascio, D, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2015-08-17
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Inhibition by small-molecule ligands of formation of amyloid fibrils of an immunoglobulin light chain variable domain.
Elife, 4, 2015
4P8E
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BU of 4p8e by Molmil
Structure of ribB complexed with substrate (Ru5P) and metal ions
Descriptor: 1,2-ETHANEDIOL, 3,4-dihydroxy-2-butanone 4-phosphate synthase, RIBULOSE-5-PHOSPHATE, ...
Authors:Islam, Z, Kumar, A, Singh, S, Salmon, L, Karthikeyan, S.
Deposit date:2014-03-31
Release date:2015-03-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural Basis for Competitive Inhibition of 3,4-Dihydroxy-2-butanone-4-phosphate Synthase from Vibrio cholerae.
J.Biol.Chem., 290, 2015
3DTP
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BU of 3dtp by Molmil
Tarantula heavy meromyosin obtained by flexible docking to Tarantula muscle thick filament Cryo-EM 3D-MAP
Descriptor: Myosin II regulatory light chain, Myosin light polypeptide 6, Myosin-11,Myosin-7
Authors:Alamo, L, Wriggers, W, Pinto, A, Bartoli, F, Salazar, L, Zhao, F.Q, Craig, R, Padron, R.
Deposit date:2008-07-15
Release date:2008-10-07
Last modified:2020-01-29
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Three-Dimensional Reconstruction of Tarantula Myosin Filaments Suggests How Phosphorylation May Regulate Myosin Activity
J.Mol.Biol., 384, 2008
1X82
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BU of 1x82 by Molmil
CRYSTAL STRUCTURE OF PHOSPHOGLUCOSE ISOMERASE FROM PYROCOCCUS FURIOSUS WITH BOUND 5-phospho-D-arabinonate
Descriptor: 5-PHOSPHOARABINONIC ACID, Glucose-6-phosphate isomerase
Authors:Berrisford, J.M, Akerboom, J, Brouns, S, Sedelnikova, S.E, Turnbull, A.P, van der Oost, J, Salmon, L, Hardre, R, Murray, I.A, Blackburn, G.M, Rice, D.W, Baker, P.J.
Deposit date:2004-08-17
Release date:2004-10-12
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The structures of inhibitor complexes of Pyrococcus furiosus phosphoglucose isomerase provide insights into substrate binding and catalysis.
J.Mol.Biol., 343, 2004
1X7N
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BU of 1x7n by Molmil
The crystal structure of Pyrococcus furiosus phosphoglucose isomerase with bound 5-phospho-D-arabinonate and Manganese
Descriptor: 5-PHOSPHOARABINONIC ACID, Glucose-6-phosphate isomerase, MANGANESE (II) ION
Authors:Berrisford, J.M, Akerboom, J, Brouns, S, Sedelnikova, S.E, Turnbull, A.P, van der Oost, J, Salmon, L, Hardre, R, Murray, I.A, Blackburn, G.M, Rice, D.W, Baker, P.J.
Deposit date:2004-08-16
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The structures of inhibitor complexes of Pyrococcus furiosus phosphoglucose isomerase provide insights into substrate binding and catalysis.
J.Mol.Biol., 343, 2004
1X8E
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BU of 1x8e by Molmil
Crystal structure of Pyrococcus furiosus phosphoglucose isomerase free enzyme
Descriptor: Glucose-6-phosphate isomerase
Authors:Berrisford, J.M, Akerboom, J, Brouns, S, Sedelnikova, S.E, Turnbull, A.P, van der Oost, J, Salmon, L, Hardre, R, Murray, I.A, Blackburn, G.M, Rice, D.W, Baker, P.J.
Deposit date:2004-08-18
Release date:2004-10-12
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structures of inhibitor complexes of Pyrococcus furiosus phosphoglucose isomerase provide insights into substrate binding and catalysis.
J.Mol.Biol., 343, 2004
2MTX
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BU of 2mtx by Molmil
Protection against experimental P. falciparum malaria is associated with short AMA-1 peptide analogue alpha-helical structures
Descriptor: Apical membrane antigen-1
Authors:Cubillos, M, Salazar, L, Torres, L, Sandoval, M, Patarroyo, M.E.
Deposit date:2014-09-01
Release date:2015-02-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Protection against experimental P. falciparum malaria is associated with short AMA-1 peptide analogue alpha-helical structures
To be Published
3BQB
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BU of 3bqb by Molmil
Hexagonal kristal form of 2-keto-3-deoxyarabinonate dehydratase
Descriptor: MAGNESIUM ION, Putative uncharacterized protein
Authors:Barends, T.M, Brouns, S, Worm, P, Akerboom, J, Turnbull, A, Salmon, L.
Deposit date:2007-12-20
Release date:2008-04-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insight into substrate binding and catalysis of a novel 2-keto-3-deoxy-D-arabinonate dehydratase illustrates common mechanistic features of the FAH superfamily
J.Mol.Biol., 379, 2008
2ALX
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BU of 2alx by Molmil
Ribonucleotide Reductase R2 from Escherichia coli in space group P6(1)22
Descriptor: MANGANESE (II) ION, MERCURY (II) ION, Ribonucleoside-diphosphate reductase 1
Authors:Sommerhalter, M, Saleh, L, Bollinger Jr, J.M, Rosenzweig, A.C.
Deposit date:2005-08-08
Release date:2005-11-29
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of Escherichia coli ribonucleotide reductase R2 in space group P6122.
Acta Crystallogr.,Sect.D, 61, 2005
2MTW
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BU of 2mtw by Molmil
Evidence supporting the hypothesis that specifically modifying a malaria peptide to fit into HLA-DR 1*03 molecules induces antibody production and protection
Descriptor: Erythrocyte-binding antigen 175
Authors:Cifuentes, G, Salazar, L, Vargas, L, Parra, C, Vanegas, M, Cortes, J, Sandoval, M, Patarroyo, M.E.
Deposit date:2014-09-01
Release date:2015-02-04
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Evidence supporting the hypothesis that specifically modifying a malaria peptide to fit HLA-DR 1*03 molecules induces antibody production and protection
To be Published
2X2G
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BU of 2x2g by Molmil
CRYSTALLOGRAPHIC BINDING STUDIES WITH AN ENGINEERED MONOMERIC VARIANT OF TRIOSEPHOSPHATE ISOMERASE
Descriptor: 3-PHOSPHOGLYCERIC ACID, TRIOSEPHOSPHATE ISOMERASE, GLYCOSOMAL
Authors:Salin, M, Kapetaniou, E.G, Vaismaa, M, Lajunen, M, Casteleijn, M.G, Neubauer, P, Salmon, L, Wierenga, R.
Deposit date:2010-01-13
Release date:2010-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic Binding Studies with an Engineered Monomeric Variant of Triosephosphate Isomerase
Acta Crystallogr.,Sect.D, 66, 2010
2X1U
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BU of 2x1u by Molmil
Crystallographic binding studies with an engineered monomeric variant of triosephosphate isomerase
Descriptor: SULFATE ION, TRIOSEPHOSPHATE ISOMERASE, GLYCOSOMAL
Authors:Salin, M, Kapetaniou, E.G, Vaismaa, M, Lajunen, M, Casteleijn, M.G, Neubauer, P, Salmon, L, Wierenga, R.
Deposit date:2010-01-04
Release date:2010-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystallographic Binding Studies with an Engineered Monomeric Variant of Triosephosphate Isomerase
Acta Crystallogr.,Sect.D, 66, 2010
2X1S
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BU of 2x1s by Molmil
Crystallographic binding studies with an engineered monomeric variant of triosephosphate isomerase
Descriptor: 3-SULFOPROPANOIC ACID, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE, ...
Authors:Salin, M, Kapetaniou, E.G, Vaismaa, M, Lajunen, M, Castejeijn, M.G, Neubauer, P, Salmon, L, Wierenga, R.
Deposit date:2010-01-04
Release date:2010-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystallographic Binding Studies with an Engineered Monomeric Variant of Triosephosphate Isomerase
Acta Crystallogr.,Sect.D, 66, 2010
2X1R
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BU of 2x1r by Molmil
Crystallographic binding studies with an engineered monomeric variant of triosephosphate isomerase
Descriptor: 3-(PROPYLSULFONYL)PROPANOIC ACID, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE, ...
Authors:Salin, M, Kapetaniou, E.G, Vaismaa, M, Lajunen, M, Casteleijn, M.G, Neubauer, P, Salmon, L, Wierenga, R.
Deposit date:2010-01-04
Release date:2010-01-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystallographic Binding Studies with an Engineered Monomeric Variant of Triosephosphate Isomerase
Acta Crystallogr.,Sect.D, 66, 2010

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