6XVU
| |
8C6C
| Light SFX structure of D.m(6-4)photolyase at 300ps time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
|
|
8C6H
| Light SFX structure of D.m(6-4)photolyase at 2ps time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
|
|
8C1U
| SFX structure of D.m(6-4)photolyase | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2022-12-21 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
|
|
8C69
| Light SFX structure of D.m(6-4)photolyase at 100 microsecond time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
|
|
8C6A
| Light SFX structure of D.m(6-4)photolyase at 1ps time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
|
|
8C6B
| Light SFX structure of D.m(6-4)photolyase at 20ps time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
|
|
8C6F
| Light SFX structure of D.m(6-4)photolyase at 400fs time delay | Descriptor: | Cryptochrome-1, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL | Authors: | Cellini, A, Kumar, M, Nimmrich, A, Mutisya, J, Furrer, A, Beale, E.V, Carrillo, M, Malla, T.N, Maj, P, Dworkowskic, F, Cirelli, C, Ozerovi, D, Bacellar, C, Strandfuss, J, Weinert, T, Ihalainen, J.A, Yuan Wahlgren, W, Westenhoff, S. | Deposit date: | 2023-01-11 | Release date: | 2023-11-01 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Directed ultrafast conformational changes accompany electron transfer in a photolyase as resolved by serial crystallography. Nat.Chem., 16, 2024
|
|
6MS8
| Crystal Structure of Chalcone Isomerase from Medicago Truncatula Complexed with (2S) Naringenin | Descriptor: | Chalcone-flavonone isomerase family protein, NARINGENIN | Authors: | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | Deposit date: | 2018-10-16 | Release date: | 2019-08-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases Acs Catalysis, 2019
|
|
1EHX
| NMR SOLUTION STRUCTURE OF THE LAST UNKNOWN MODULE OF THE CELLULOSOMAL SCAFFOLDIN PROTEIN CIPC OF CLOSTRIDUM CELLULOLYTICUM | Descriptor: | SCAFFOLDIN PROTEIN | Authors: | Mosbah, A, Belaich, A, Bornet, O, Belaich, J.P, Henrissat, B, Darbon, H. | Deposit date: | 2000-02-23 | Release date: | 2000-11-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the module X2 1 of unknown function of the cellulosomal scaffolding protein CipC of Clostridium cellulolyticum. J.Mol.Biol., 304, 2000
|
|
6CJO
| Crystal Structure of Chalcone Isomerase from Medicago Sativa with the G95S mutation. | Descriptor: | Chalcone--flavonone isomerase 1, SULFATE ION | Authors: | Burke, J.R, La Clair, J.J, Philippe, R.N, Pabis, A, Jez, J.M, Cortina, G, Kaltenbach, M, Bowman, M.E, Woods, K.B, Nelson, A.T, Tawfik, D.S, Kamerlin, S.C.L, Noel, J.P. | Deposit date: | 2018-02-26 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Bifunctional Substrate Activation via an Arginine Residue Drives Catalysis in Chalcone Isomerases Acs Catalysis, 2019
|
|
1G1K
| COHESIN MODULE FROM THE CELLULOSOME OF CLOSTRIDIUM CELLULOLYTICUM | Descriptor: | SCAFFOLDING PROTEIN | Authors: | Spinelli, S, Fierobe, H.-P, Belaich, A, Belaich, J.-P, Henrissat, B, Cambillau, C. | Deposit date: | 2000-10-12 | Release date: | 2000-11-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a cohesin module from Clostridium cellulolyticum: implications for dockerin recognition. J.Mol.Biol., 304, 2000
|
|
5K5B
| Wild-type PAS-GAF fragment from Deinococcus radiodurans BphP | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ... | Authors: | Takala, H, Edlund, P, Claesson, E, Ihalainen, J.A, Westenhoff, S. | Deposit date: | 2016-05-23 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography. Sci Rep, 6, 2016
|
|
8BOR
| Photosensory module from DrBphP without PHY tongue | Descriptor: | 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, Bacteriophytochrome | Authors: | Kurttila, M, Takala, H, Ihalainen, J.A. | Deposit date: | 2022-11-15 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The interconnecting hairpin extension "arm": An essential allosteric element of phytochrome activity. Structure, 31, 2023
|
|
6WB4
| Microbiome-derived Acarbose Kinase Mak1 Labeled with selenomethionine | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Acarbose Kinase Mak1, ... | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | Deposit date: | 2020-03-26 | Release date: | 2021-04-21 | Last modified: | 2021-12-15 | Method: | X-RAY DIFFRACTION (2.593 Å) | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose. Nature, 600, 2021
|
|
6WB7
| Acarbose Kinase AcbK as a Complex with Acarbose and AMP-PNP | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose 7(IV)-phosphotransferase, MANGANESE (II) ION, ... | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | Deposit date: | 2020-03-26 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose. Nature, 600, 2021
|
|
1IA7
| CRYSTAL STRUCTURE OF THE CELLULASE CEL9M OF C. CELLULOLYTICIUM IN COMPLEX WITH CELLOBIOSE | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CELLULASE CEL9M, ... | Authors: | Parsiegla, G, Belaich, A, Belaich, J.P, Haser, R. | Deposit date: | 2001-03-22 | Release date: | 2002-10-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the cellulase Cel9M enlightens structure/function relationships of the variable catalytic modules in glycoside hydrolases. Biochemistry, 41, 2002
|
|
1C3T
| |
1BKH
| MUCONATE LACTONIZING ENZYME FROM PSEUDOMONAS PUTIDA | Descriptor: | MUCONATE LACTONIZING ENZYME | Authors: | Hasson, M.S, Schlichting, I, Moulai, J, Taylor, K, Barrett, W, Kenyon, G.L, Babbitt, P.C, Gerlt, J.A, Petsko, G.A, Ringe, D. | Deposit date: | 1998-07-07 | Release date: | 1998-10-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Evolution of an enzyme active site: the structure of a new crystal form of muconate lactonizing enzyme compared with mandelate racemase and enolase. Proc.Natl.Acad.Sci.USA, 95, 1998
|
|
5KBZ
| Structure of the PksA Product Template domain in complex with a phosphopantetheine mimetic | Descriptor: | (14R)-14-hydroxy-15,15-dimethyl-1-[5-({[(5-methyl-1,2-oxazol-3-yl)methyl]sulfanyl}methyl)-1,2-oxazol-3-yl]-4,9,13-trioxo-2-thia-5,8,12-triazahexadecan-16-yl dihydrogen phosphate, Noranthrone synthase | Authors: | Tsai, S.C, Burkart, M.D, Townsend, C.A, Barajas, J.F, Shakya, G, Topper, C.L, Moreno, G, Jackson, D.R, Rivera, H, La Clair, J.J, Vagstad, A. | Deposit date: | 2016-06-03 | Release date: | 2017-05-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.803 Å) | Cite: | Polyketide mimetics yield structural and mechanistic insights into product template domain function in nonreducing polyketide synthases. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
|
|
6WB5
| Microbiome-derived Acarbose Kinase Mak1 as a Complex with Acarbose and AMP-PNP | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose Kinase Mak1, MANGANESE (II) ION, ... | Authors: | Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S. | Deposit date: | 2020-03-26 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.102 Å) | Cite: | The human microbiome encodes resistance to the antidiabetic drug acarbose. Nature, 600, 2021
|
|
3HLB
| Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded, selenomethionyl derivative | Descriptor: | SULFATE ION, Transesterase | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | Deposit date: | 2009-05-27 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Directed evolution and structural characterization of a simvastatin synthase Chem.Biol., 16, 2009
|
|
6T8P
| HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide, IODIDE ION, ... | Authors: | Blaesse, M, Venalainen, J. | Deposit date: | 2019-10-24 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
|
|
6T8Q
| HKATII IN COMPLEX WITH LIGAND (2R)-N-benzyl-1-[6-methyl-5-(oxan-4-yl)-7-oxo-6H,7H-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide | Descriptor: | (2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide, ACETATE ION, CADMIUM ION, ... | Authors: | Blaesse, M, Venalainen, J. | Deposit date: | 2019-10-24 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery of sulfonamides and 9-oxo-2,8-diazaspiro[5,5]undecane-2-carboxamides as human kynurenine aminotransferase 2 (KAT2) inhibitors. Bioorg.Med.Chem.Lett., 30, 2020
|
|
1ZW8
| Solution structure of a ZAP1 zinc-responsive domain provides insights into metalloregulatory transcriptional repression in Saccharomyces cerevisiae | Descriptor: | ZINC ION, Zinc-responsive transcriptional regulator ZAP1 | Authors: | Wang, Z, Feng, L.S, Venkataraman, K, Matskevich, V.A, Parasuram, P, Laity, J.H. | Deposit date: | 2005-06-03 | Release date: | 2006-01-10 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of a Zap1 zinc-responsive domain provides insights into metalloregulatory transcriptional repression in Saccharomyces cerevisiae. J.Mol.Biol., 357, 2006
|
|