4C3Q
| Neutron structure of a perdeuterated Toho-1 R274N R276N double mutant Beta-lactamase in complex with a fully deuterated boronic acid (BZB) at 100K | Descriptor: | BENZO[B]THIOPHENE-2-BORONIC ACID, BETA-LACTAMASE TOHO-1 | Authors: | Coates, L, Tomanicek, S.J, Schrader, T, Weiss, K.L, Ng, J.D, Ostermann, A. | Deposit date: | 2013-08-26 | Release date: | 2014-07-09 | Last modified: | 2017-03-22 | Method: | NEUTRON DIFFRACTION (2.2 Å) | Cite: | Cryogenic Neutron Protein Crystallography: Routine Methods and Potential Benefits J.Appl.Crystallogr., 47, 2014
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6Y7T
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8C4Y
| SFX structure of FutA bound to Fe(III) | Descriptor: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | Authors: | Bolton, R, Tews, I. | Deposit date: | 2023-01-05 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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4XQD
| X-ray structure analysis of xylanase-WT at pH4.0 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-19 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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8RK1
| Crystal structure of FutA bound to Fe(III) solved by neutron diffraction | Descriptor: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | Authors: | Bolton, R, Tews, I. | Deposit date: | 2023-12-22 | Release date: | 2024-01-17 | Last modified: | 2024-03-27 | Method: | NEUTRON DIFFRACTION (2.095 Å) | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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8OEI
| SFX structure of FutA after an accumulated dose of 350 kGy | Descriptor: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | Authors: | Bolton, R, Tews, I. | Deposit date: | 2023-03-10 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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8OEM
| Crystal structure of FutA bound to Fe(II) | Descriptor: | FE (II) ION, Putative iron ABC transporter, substrate binding protein | Authors: | Bolton, R, Tews, I. | Deposit date: | 2023-03-10 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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8OGG
| Crystal structure of FutA after an accumulated dose of 5 kGy | Descriptor: | FE (III) ION, Putative iron ABC transporter, substrate binding protein | Authors: | Bolton, R, Tews, I. | Deposit date: | 2023-03-20 | Release date: | 2023-08-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Proc.Natl.Acad.Sci.USA, 121, 2024
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4XQW
| X-ray structure analysis of xylanase-N44E with MES at pH6.0 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-20 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XPV
| Neutron and X-ray structure analysis of xylanase: N44D at pH6 | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-18 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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4XQ4
| X-ray structure analysis of xylanase - N44D | Descriptor: | Endo-1,4-beta-xylanase 2, IODIDE ION | Authors: | Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y. | Deposit date: | 2015-01-19 | Release date: | 2015-09-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography. Proc.Natl.Acad.Sci.USA, 112, 2015
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8RKQ
| Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with the molecular tweezer CLR01 | Descriptor: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | Authors: | Porfetye, A.T, Vetter, I.R. | Deposit date: | 2023-12-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | How Do Molecular Tweezers Bind to Proteins? Lessons from X-ray Crystallography. Molecules, 29, 2024
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8RKR
| Structure of human DELTA-1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) complexed with a monophosphate-tweezer | Descriptor: | (1R,5S,9S,16R,20R,24S,28S,35R)-22-(Dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaen-3-ol, BENZOIC ACID, Delta-1-pyrroline-5-carboxylate dehydrogenase, ... | Authors: | Porfetye, A.T, Vetter, I.R. | Deposit date: | 2023-12-28 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | How Do Molecular Tweezers Bind to Proteins? Lessons from X-ray Crystallography. Molecules, 29, 2024
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5N10
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5OEG
| Molecular tweezers modulate 14-3-3 protein-protein interactions | Descriptor: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein sigma, CHLORIDE ION | Authors: | Bier, D, Ottmann, C. | Deposit date: | 2017-07-07 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Molecular tweezers modulate 14-3-3 protein-protein interactions. Nat Chem, 5, 2013
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5OEH
| Molecular tweezers modulate 14-3-3 protein-protein interactions. | Descriptor: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein sigma, CHLORIDE ION, ... | Authors: | Bier, D, Ottmann, C. | Deposit date: | 2017-07-07 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Molecular tweezers modulate 14-3-3 protein-protein interactions. Nat Chem, 5, 2013
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5M35
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5M36
| The molecular tweezer CLR01 stabilizes a disordered protein-protein interface | Descriptor: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein zeta/delta, BENZOIC ACID, ... | Authors: | Bier, D, Ottmann, C. | Deposit date: | 2016-10-14 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface. J. Am. Chem. Soc., 139, 2017
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5M37
| The molecular tweezer CLR01 stabilizes a disordered protein-protein interface | Descriptor: | (1R,5S,9S,16R,20R,24S,28S,35R)-3,22-Bis(dihydroxyphosphoryloxy)tridecacyclo[22.14.1.15,20.19,16.128,35.02,23.04,21.06,19.08,17.010,15.025,38.027,36.029,34]dotetraconta-2(23),3,6,8(17),10,12,14,18,21,25,27(36),29,31,33,37-pentadecaene, 14-3-3 protein zeta/delta, BENZOIC ACID, ... | Authors: | Bier, D, Ottmann, C. | Deposit date: | 2016-10-14 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | The Molecular Tweezer CLR01 Stabilizes a Disordered Protein-Protein Interface. J. Am. Chem. Soc., 139, 2017
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