7VJ5
 
 | | class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (5 ms time-point) | | Descriptor: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2021-09-28 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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7VJH
 | | class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (5 us time-point) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2021-09-28 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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7VJ8
 | | SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the oxidized state | | Descriptor: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2021-09-28 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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7JRI
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7VJ4
 | | class II photolyase MmCPDII oxidized to semiquinone TR-SFX studies (1 ms time-point) | | Descriptor: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2021-09-28 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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7VJ6
 | | SFX structure of archaeal class II CPD photolyase from Methanosarcina mazei in the semiquinone state | | Descriptor: | DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.C, Nango, E, Gusti-Ngurah-Putu, E.-P, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Sugahara, M, Owada, S, Joti, Y, Tanaka, R, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2021-09-28 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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7VJE
 | | class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (300 ns time-point) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2021-09-28 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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7VJI
 | | class II photolyase MmCPDII semiquinone to fully reduced TR-SFX studies (10 us time-point) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, DNA photolyase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Maestre-Reyna, M, Yang, C.-H, Huang, W.-C, Nango, E, Ngura Putu, E.P.G, Franz-Badur, S, Wu, W.-J, Wu, H.-Y, Wang, P.-H, Hosokawa, Y, Saft, M, Emmerich, H.-J, Liao, J.-H, Lee, C.-C, Huang, K.-F, Chang, Y.-K, Weng, J.-H, Royant, A, Gad, W, Pang, A.H, Chang, C.-W, Sugahara, M, Owada, S, Joti, Y, Yamashita, A, Tanaka, R, Tanaka, T, Luo, F.J, Tono, K, Kiontke, S, Yamamoto, J, Iwata, S, Essen, L.-O, Bessho, Y, Tsai, M.-D. | | Deposit date: | 2021-09-28 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Serial crystallography captures dynamic control of sequential electron and proton transfer events in a flavoenzyme.
Nat.Chem., 14, 2022
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8CJ2
 | | Urea-based foldamer inhibitor c3u_5 chimera in complex with ASF1 histone chaperone | | Descriptor: | GLYCEROL, Histone chaperone ASF1A, SULFATE ION, ... | | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | | Deposit date: | 2023-02-11 | | Release date: | 2023-07-05 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (2.127 Å) | | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
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8CJ1
 | | Urea-based foldamer inhibitor c3u_3 chimera in complex with ASF1 histone chaperone | | Descriptor: | Histone chaperone ASF1A, c3u_3 chimera inhibitor of histone chaperone ASF1 | | Authors: | Perrin, M.E, Li, B, Mbianda, J, Ropars, V, Legrand, P, Douat, C, Ochsenbein, F, Guichard, G. | | Deposit date: | 2023-02-11 | | Release date: | 2023-07-05 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.564 Å) | | Cite: | Unexpected binding modes of inhibitors to the histone chaperone ASF1 revealed by a foldamer scanning approach.
Chem.Commun.(Camb.), 59, 2023
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4XAF
 | | Cycles of destabilization and repair underlie evolutionary transitions in enzymes | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R1, ... | | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | | Deposit date: | 2014-12-14 | | Release date: | 2015-12-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | The role of protein dynamics in the evolution of new enzyme function.
Nat.Chem.Biol., 12, 2016
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6RS7
 | | X-ray crystal structure of LsAA9B (deglycosylated form) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AA9, ... | | Authors: | Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2019-05-21 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
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6P4Q
 | | Salmonella typhi PltB Homopentamer N29K Mutant with Neu5Ac-alpha-2-3-Gal-beta-1-4-GlcNAc Glycans | | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Putative pertussis-like toxin subunit | | Authors: | Nguyen, T, Milano, S.K, Hillpot, E.C, Yang, Y.A, Song, J. | | Deposit date: | 2019-05-28 | | Release date: | 2020-03-25 | | Last modified: | 2020-08-05 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Salmonella Typhoid Toxin PltB Subunit and Its Non-typhoidal Salmonella Ortholog Confer Differential Host Adaptation and Virulence.
Cell Host Microbe, 27, 2020
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6EIG
 | | Crystal structure of N24Q/C128T mutant of Channelrhodopsin 2 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Archaeal-type opsin 2, EICOSANE, ... | | Authors: | Kovalev, K, Borshchevskiy, V, Volkov, O, Polovinkin, V, Marin, E, Balandin, T, Astashkin, R, Bamann, C, Bueldt, G, Willlbold, D, Popov, A, Bamberg, E, Gordeliy, V. | | Deposit date: | 2017-09-19 | | Release date: | 2017-12-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural insights into ion conduction by channelrhodopsin 2.
Science, 358, 2017
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5MRG
 | | Solution structure of TDP-43 (residues 1-102) | | Descriptor: | TAR DNA-binding protein 43 | | Authors: | Mompean, M, Romano, V, Pantoja-Uceda, D, Stuani, C, Baralle, F.E, Laurents, D.V. | | Deposit date: | 2016-12-22 | | Release date: | 2017-06-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Point mutations in the N-terminal domain of transactive response DNA-binding protein 43 kDa (TDP-43) compromise its stability, dimerization, and functions.
J. Biol. Chem., 292, 2017
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5IJ0
 | | Cryo EM density of microtubule assembled from human TUBB3 | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ti, S.-C, Pamula, M.C, Howes, S.C, Duellberg, C, Nicholas, C.I, Kleiner, R.E, Forth, S, Surrey, T, Nogales, E, Kapoor, T.M. | | Deposit date: | 2016-03-01 | | Release date: | 2016-04-20 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Mutations in Human Tubulin Proximal to the Kinesin-Binding Site Alter Dynamic Instability at Microtubule Plus- and Minus-Ends.
Dev.Cell, 37, 2016
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7N12
 | | Crystal structure of the M. abscessus LeuRS editing domain in complex with epetraborole-AMP adduct | | Descriptor: | Leucine--tRNA ligase, SULFATE ION, [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate | | Authors: | Kalthoff, E, Schmeing, M. | | Deposit date: | 2021-05-26 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Efficacy of epetraborole against Mycobacterium abscessus is increased with norvaline.
Plos Pathog., 17, 2021
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6ICD
 | | REGULATION OF AN ENZYME BY PHOSPHORYLATION AT THE ACTIVE SITE | | Descriptor: | ISOCITRATE DEHYDROGENASE | | Authors: | Hurley, J.H, Dean, A.M, Sohl, J.L, Koshlandjunior, D.E, Stroud, R.M. | | Deposit date: | 1990-05-30 | | Release date: | 1991-10-15 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Regulation of an enzyme by phosphorylation at the active site.
Science, 249, 1990
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6RS9
 | | X-ray crystal structure of LsAA9B (xylotetraose soak) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, AA9, BICINE, ... | | Authors: | Frandsen, K.E.H, Tovborg, M, Poulsen, J.C.N, Johansen, K.S, Lo Leggio, L. | | Deposit date: | 2019-05-21 | | Release date: | 2019-09-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Insights into an unusual Auxiliary Activity 9 family member lacking the histidine brace motif of lytic polysaccharide monooxygenases.
J.Biol.Chem., 294, 2019
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6EEV
 | | Structure of class II HMG-CoA reductase from Delftia acidovorans with mevalonate bound | | Descriptor: | (R)-MEVALONATE, 3-hydroxy-3-methylglutaryl coenzyme A reductase, GLYCEROL, ... | | Authors: | Ragwan, E.R, Arai, E, Kung, Y. | | Deposit date: | 2018-08-15 | | Release date: | 2018-09-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | New Crystallographic Snapshots of Large Domain Movements in Bacterial 3-Hydroxy-3-methylglutaryl Coenzyme A Reductase.
Biochemistry, 57, 2018
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6P4N
 | | Salmonella typhi PltB Homopentamer with Neu5Ac-alpha-2-6-Gal-beta-1-4-GlcNAc Glycans | | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Putative pertussis-like toxin subunit | | Authors: | Nguyen, T, Milano, S.K, Hillpot, E.C, Yang, Y.A, Song, J. | | Deposit date: | 2019-05-28 | | Release date: | 2020-03-25 | | Last modified: | 2020-08-05 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Salmonella Typhoid Toxin PltB Subunit and Its Non-typhoidal Salmonella Ortholog Confer Differential Host Adaptation and Virulence.
Cell Host Microbe, 27, 2020
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4LRH
 | | Crystal structure of human folate receptor alpha in complex with folic acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FOLIC ACID, Folate receptor alpha | | Authors: | Ke, J, Chen, C, Zhou, X.E, Yi, W, Brunzelle, J.S, Li, J, Young, E.-L, Xu, H.E, Melcher, K. | | Deposit date: | 2013-07-19 | | Release date: | 2013-07-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for molecular recognition of folic acid by folate receptors.
Nature, 500, 2013
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6P4S
 | | Salmonella typhi PltB Homopentamer T65I Mutant | | Descriptor: | Putative pertussis-like toxin subunit | | Authors: | Nguyen, T, Milano, S.K, Hillpot, E.C, Yang, Y.A, Song, J. | | Deposit date: | 2019-05-28 | | Release date: | 2020-03-25 | | Last modified: | 2020-08-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Salmonella Typhoid Toxin PltB Subunit and Its Non-typhoidal Salmonella Ortholog Confer Differential Host Adaptation and Virulence.
Cell Host Microbe, 27, 2020
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5MOJ
 | | Crystal structure of IgE-Fc epsilon 3-4 | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ig epsilon chain C region, ... | | Authors: | Dore, K.A, Davies, A.M, Drinkwater, N, Beavil, A.J, MacDonnell, J.M, Sutton, B.J. | | Deposit date: | 2016-12-14 | | Release date: | 2018-01-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Thermal sensitivity and flexibility of the C epsilon 3 domains in immunoglobulin E.
Biochim. Biophys. Acta, 1865, 2017
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3NEW
 | | p38-alpha complexed with Compound 10 | | Descriptor: | 4-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, Mitogen-activated protein kinase 14 | | Authors: | Goedken, E.R, Comess, K.M, Sun, C, Argiriadi, M, Jia, Y, Quinn, C.M, Banach, D.L, Marcotte, D, Borhani, D. | | Deposit date: | 2010-06-09 | | Release date: | 2010-12-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases.
Acs Chem.Biol., 6, 2011
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