3WQ9
 
 | | Crystal structure of Hsp90-alpha N-terminal domain in complex with 2-(4-Hydroxy-cyclohexylamino)-4-[5-(4-phenyl-imidazol-1-yl)-isoquinolin-1-yl]-benzamide | | Descriptor: | 2-[(trans-4-hydroxycyclohexyl)amino]-4-[5-(4-phenyl-1H-imidazol-1-yl)isoquinolin-1-yl]benzamide, Heat shock protein HSP 90-alpha | | Authors: | Chong, K.T, Yamashita, S, Oshiumi, H, Uno, T, Kitade, M. | | Deposit date: | 2014-01-23 | | Release date: | 2015-02-25 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Evolution of highly selective Hsp90 / inhibitors by structure and thermodynamics guided design
To be Published
|
|
2ZRW
 | | Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with FMN and IPP. | | Descriptor: | FLAVIN MONONUCLEOTIDE, ISOPENTYL PYROPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, ... | | Authors: | Unno, H, Yamashita, S, Ikeda, Y, Sekiguchi, S, Yoshida, N, Yoshimura, T, Kusunoki, M, Nakayama, T, Nishino, T, Hemmi, H. | | Deposit date: | 2008-09-01 | | Release date: | 2009-01-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | New role of flavin as a general acid-base catalyst with no redox function in type 2 isopentenyl-diphosphate isomerase.
J.Biol.Chem., 284, 2009
|
|
6HAE
 | | Crystal structure of [Fe]-hydrogenase (Hmd) from Methanococcus aeolicus in complex with FeGP cofactor and methenyl-tetrahydromethanopterin (close form B) | | Descriptor: | 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, 5,10-methenyltetrahydromethanopterin hydrogenase, CHLORIDE ION, ... | | Authors: | Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S. | | Deposit date: | 2018-08-07 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The atomic-resolution crystal structure of activated [Fe]-hydrogenase
Nat Catal, 2019
|
|
3WFE
 | | Reduced and cyanide-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment | | Descriptor: | CALCIUM ION, CYANIDE ION, FE (III) ION, ... | | Authors: | Sato, N, Ishii, S, Hino, T, Sugimoto, H, Fukumori, Y, Shiro, Y, Tosha, T. | | Deposit date: | 2013-07-18 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Structures of reduced and ligand-bound nitric oxide reductase provide insights into functional differences in respiratory enzymes.
Proteins, 82, 2014
|
|
6HAV
 | | Crystal structure of [Fe]-hydrogenase (Hmd) from Methanococcus aeolicus in complex with FeGP and methenyl-tetrahydromethanopterin (close form A) at 1.06 A resolution | | Descriptor: | 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, 5,10-methenyltetrahydromethanopterin hydrogenase, GLYCEROL, ... | | Authors: | Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S. | | Deposit date: | 2018-08-08 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.06 Å) | | Cite: | The atomic-resolution crystal structure of activated [Fe]-hydrogenase
Nat Catal, 2019
|
|
3R7O
 | | Structure of dually phosphorylated c-MET receptor kinase in complex with an MK-2461 analog | | Descriptor: | Hepatocyte growth factor receptor, N-[(2R)-1,4-dioxan-2-ylmethyl]-N-methyl-N'-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}sulfuric diamide | | Authors: | Soisson, S.M, Rickert, K, Patel, S.B, Munshi, S, Lumb, K.J. | | Deposit date: | 2011-03-22 | | Release date: | 2012-02-01 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for selective small molecule kinase inhibition of activated c-Met.
J.Biol.Chem., 286, 2011
|
|
3WFD
 | | Reduced and acetaldoxime-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment | | Descriptor: | (1E)-N-hydroxyethanimine, CALCIUM ION, FE (III) ION, ... | | Authors: | Sato, N, Ishii, S, Hino, T, Sugimoto, H, Fukumori, Y, Shiro, Y, Tosha, T. | | Deposit date: | 2013-07-18 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of reduced and ligand-bound nitric oxide reductase provide insights into functional differences in respiratory enzymes.
Proteins, 82, 2014
|
|
6HUZ
 | | HmdII from Desulfurobacterium thermolithotrophum reconstituted with Fe-guanylylpyridinol (FeGP) cofactor and co-crystallized with methenyl-tetrahydrofolate form B | | Descriptor: | 1,2-ETHANEDIOL, 5,10-Methenyltetrahydrofolate, Coenzyme F420-dependent N(5),N(10)-methenyltetrahydromethanopterin reductase-related protein, ... | | Authors: | Watanabe, T, Wagner, T, Huang, G, Kahnt, J, Ataka, K, Ermler, U, Shima, S. | | Deposit date: | 2018-10-09 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Bacterial [Fe]-Hydrogenase Paralog HmdII Uses Tetrahydrofolate Derivatives as Substrates.
Angew. Chem. Int. Ed. Engl., 58, 2019
|
|
1R79
 | | Solution Structure of The C1 Domain of The Human Diacylglycerol Kinase Delta | | Descriptor: | Diacylglycerol kinase, delta, ZINC ION | | Authors: | Miyamoto, K, Tomizawa, T, Koshiba, S, Inoue, M, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2003-10-21 | | Release date: | 2004-04-21 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of The C1 Domain of The Human Diacylglycerol Kinase Delta
To be Published
|
|
6HAC
 | | Crystal structure of [Fe]-hydrogenase (Hmd) holoenzyme from Methanococcus aeolicus (open form) | | Descriptor: | 5,10-methenyltetrahydromethanopterin hydrogenase, GLYCEROL, PENTAETHYLENE GLYCOL, ... | | Authors: | Huang, G, Wagner, T, Wodrich, M.D, Ataka, K, Bill, E, Ermler, U, Hu, X, Shima, S. | | Deposit date: | 2018-08-07 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The atomic-resolution crystal structure of activated [Fe]-hydrogenase
Nat Catal, 2019
|
|
6HR7
 | | HMG-CoA reductase from Methanothermococcus thermolithotrophicus apo form at 2.4 A resolution | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Wagner, T, Voegeli, B, Erb, T.J, Shima, S. | | Deposit date: | 2018-09-26 | | Release date: | 2019-02-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of archaeal HMG-CoA reductase: insights into structural changes of the C-terminal helix of the class-I enzyme.
Febs Lett., 593, 2019
|
|
6HUY
 | | HmdII from Desulfurobacterium thermolithotrophum reconstitued with Fe-guanylylpyridinol (FeGP) cofactor and co-crystallized with methenyl-tetrahydrofolate form A | | Descriptor: | 5,10-Methenyltetrahydrofolate, Coenzyme F420-dependent N(5),N(10)-methenyltetrahydromethanopterin reductase-related protein, DIMETHYL SULFOXIDE, ... | | Authors: | Watanabe, T, Wagner, T, Huang, G, Kahnt, J, Ataka, K, Ermler, U, Shima, S. | | Deposit date: | 2018-10-09 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Bacterial [Fe]-Hydrogenase Paralog HmdII Uses Tetrahydrofolate Derivatives as Substrates.
Angew. Chem. Int. Ed. Engl., 58, 2019
|
|
2ZRX
 | | Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with FMN and DMAPP. | | Descriptor: | DIMETHYLALLYL DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Isopentenyl-diphosphate delta-isomerase, ... | | Authors: | Unno, H, Yamashita, S, Ikeda, Y, Sekiguchi, S, Yoshida, N, Yoshimura, T, Kusunoki, M, Nakayama, T, Nishino, T, Hemmi, H. | | Deposit date: | 2008-09-01 | | Release date: | 2009-01-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | New role of flavin as a general acid-base catalyst with no redox function in type 2 isopentenyl-diphosphate isomerase.
J.Biol.Chem., 284, 2009
|
|
6HUX
 | | HmdII from Methanocaldococcus jannaschii reconstitued with Fe-guanylylpyridinol (FeGP) cofactor and co-crystallized with methenyl-tetrahydromethanopterin at 2.5 A resolution | | Descriptor: | 1,2-ETHANEDIOL, 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-{5-O-[(S)-{[(1S)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol, ACETATE ION, ... | | Authors: | Watanabe, T, Wagner, T, Huang, G, Kahnt, J, Ataka, K, Ermler, U, Shima, S. | | Deposit date: | 2018-10-09 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The Bacterial [Fe]-Hydrogenase Paralog HmdII Uses Tetrahydrofolate Derivatives as Substrates.
Angew. Chem. Int. Ed. Engl., 58, 2019
|
|
7XI9
 | | Cryo-EM structure of human DNMT1 (aa:351-1616) in complex with ubiquitinated H3 and hemimethylated DNA analog (CXXC-ordered form) | | Descriptor: | DNA (5'-D(*AP*CP*TP*TP*AP*(5CM)P*GP*GP*AP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*TP*CP*(C55)P*GP*TP*AP*AP*GP*T)-3'), DNA (cytosine-5)-methyltransferase 1, ... | | Authors: | Onoda, H, Kikuchi, A, Kori, S, Yoshimi, S, Yamagata, A, Arita, K. | | Deposit date: | 2022-04-12 | | Release date: | 2022-11-30 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.52 Å) | | Cite: | Structural basis for activation of DNMT1.
Nat Commun, 13, 2022
|
|
7XIB
 | | Cryo-EM structure of human DNMT1 (aa:351-1616) in complex with ubiquitinated H3 and hemimethylated DNA analog (CXXC-disordered form) | | Descriptor: | DNA (5'-D(*AP*CP*TP*TP*AP*(5CM)P*GP*GP*AP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*TP*CP*(C55)P*GP*TP*AP*AP*GP*T)-3'), DNA (cytosine-5)-methyltransferase 1, ... | | Authors: | Onoda, H, Kikuchi, A, Kori, S, Yoshimi, S, Yamagata, A, Arita, K. | | Deposit date: | 2022-04-12 | | Release date: | 2022-11-30 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.23 Å) | | Cite: | Structural basis for activation of DNMT1.
Nat Commun, 13, 2022
|
|
3UES
 | | Crystal structure of alpha-1,3/4-fucosidase from Bifidobacterium longum subsp. infantis complexed with deoxyfuconojirimycin | | Descriptor: | (2S,3R,4S,5R)-2-METHYLPIPERIDINE-3,4,5-TRIOL, 1,2-ETHANEDIOL, Alpha-1,3/4-fucosidase, ... | | Authors: | Sakurama, H, Fushinobu, S, Yoshida, E, Honda, Y, Hidaka, M, Ashida, H, Kitaoka, M, Katayama, T, Yamamoto, K, Kumagai, H. | | Deposit date: | 2011-10-31 | | Release date: | 2012-04-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | 1,3-1,4-alpha-L-fucosynthase that specifically introduces Lewis a/x antigens into type-1/2 chains
J.Biol.Chem., 287, 2012
|
|
2ZRZ
 | | Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with reduced FMN and DMAPP | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, DIMETHYLALLYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, ... | | Authors: | Unno, H, Yamashita, S, Ikeda, Y, Sekiguchi, S, Yoshida, N, Yoshimura, T, Kusunoki, M, Nakayama, T, Nishino, T, Hemmi, H. | | Deposit date: | 2008-09-01 | | Release date: | 2009-01-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | New role of flavin as a general acid-base catalyst with no redox function in type 2 isopentenyl-diphosphate isomerase.
J.Biol.Chem., 284, 2009
|
|
3UET
 | | Crystal structure of alpha-1,3/4-fucosidase from Bifidobacterium longum subsp. infantis D172A/E217A mutant complexed with lacto-N-fucopentaose II | | Descriptor: | 1,2-ETHANEDIOL, Alpha-1,3/4-fucosidase, SODIUM ION, ... | | Authors: | Sakurama, H, Fushinobu, S, Yoshida, E, Honda, Y, Hidaka, M, Ashida, H, Kitaoka, M, Katayama, T, Yamamoto, K, Kumagai, H. | | Deposit date: | 2011-10-31 | | Release date: | 2012-04-04 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 1,3-1,4-alpha-L-fucosynthase that specifically introduces Lewis a/x antigens into type-1/2 chains
J.Biol.Chem., 287, 2012
|
|
2ZRY
 | | Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with reduced FMN and IPP. | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, ... | | Authors: | Unno, H, Yamashita, S, Ikeda, Y, Sekiguchi, S, Yoshida, N, Yoshimura, T, Kusunoki, M, Nakayama, T, Nishino, T, Hemmi, H. | | Deposit date: | 2008-09-01 | | Release date: | 2009-01-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | New role of flavin as a general acid-base catalyst with no redox function in type 2 isopentenyl-diphosphate isomerase.
J.Biol.Chem., 284, 2009
|
|
2ZRV
 | | Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with reduced FMN. | | Descriptor: | 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Isopentenyl-diphosphate delta-isomerase | | Authors: | Unno, H, Yamashita, S, Ikeda, Y, Sekiguchi, S, Yoshida, N, Yoshimura, T, Kusunoki, M, Nakayama, T, Nishino, T, Hemmi, H. | | Deposit date: | 2008-09-01 | | Release date: | 2009-01-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | New role of flavin as a general acid-base catalyst with no redox function in type 2 isopentenyl-diphosphate isomerase.
J.Biol.Chem., 284, 2009
|
|
3WFC
 | | Reduced and carbonmonoxide-bound cytochrome c-dependent nitric oxide reductase (cNOR) from Pseudomonas aeruginosa in complex with antibody fragment | | Descriptor: | CALCIUM ION, CARBON MONOXIDE, FE (III) ION, ... | | Authors: | Sato, N, Ishii, S, Hino, T, Sugimoto, H, Fukumori, Y, Shiro, Y, Tosha, T. | | Deposit date: | 2013-07-18 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of reduced and ligand-bound nitric oxide reductase provide insights into functional differences in respiratory enzymes.
Proteins, 82, 2014
|
|
3WVS
 | | Crystal Structure of Cytochrome P450revI | | Descriptor: | (2E,4S,5S,6E,8E)-10-{(2R,3S,6S,8R,9S)-9-butyl-8-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dien-1-yl]-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl}-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid, GLYCEROL, L(+)-TARTARIC ACID, ... | | Authors: | Nagano, S, Takahashi, S, Osada, H, Shiro, Y. | | Deposit date: | 2014-06-06 | | Release date: | 2014-10-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure-function analyses of cytochrome P450revI involved in reveromycin A biosynthesis and evaluation of the biological activity of its substrate, reveromycin T.
J.Biol.Chem., 289, 2014
|
|
2DB0
 | | Crystal structure of PH0542 | | Descriptor: | 253aa long hypothetical protein | | Authors: | Nishino, A, Handa, N, Kishishita, S, Murayama, K, Shirouzu, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-12-14 | | Release date: | 2006-06-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of PH0542
To be Published
|
|
2ZRU
 | | Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with FMN | | Descriptor: | FLAVIN MONONUCLEOTIDE, Isopentenyl-diphosphate delta-isomerase | | Authors: | Unno, H, Yamashita, S, Ikeda, Y, Sekiguchi, S, Yoshida, N, Yoshimura, T, Kusunoki, M, Nakayama, T, Nishino, T, Hemmi, H. | | Deposit date: | 2008-09-01 | | Release date: | 2009-01-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | New role of flavin as a general acid-base catalyst with no redox function in type 2 isopentenyl-diphosphate isomerase.
J.Biol.Chem., 284, 2009
|
|
