5H0E
| Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanamide | Descriptor: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanamide, Tyrosine-protein kinase HCK | Authors: | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | Deposit date: | 2016-10-04 | Release date: | 2017-10-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
|
|
5H0H
| Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,N,4-trimethylpentanamide | Descriptor: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},~{N},4-trimethyl-pentanamide, Tyrosine-protein kinase HCK | Authors: | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | Deposit date: | 2016-10-04 | Release date: | 2017-10-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
|
|
5H0G
| Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-N,4-dimethylpentanamide | Descriptor: | (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-~{N},4-dimethyl-pentanamide, Tyrosine-protein kinase HCK | Authors: | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | Deposit date: | 2016-10-04 | Release date: | 2017-10-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
|
|
5H09
| Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor (S)-ethyl2-(((1r,4S)-4-(4-amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl)amino)-4-methylpentanoate | Descriptor: | Tyrosine-protein kinase HCK, ethyl (2~{S})-2-[[4-[4-azanyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]amino]-4-methyl-pentanoate | Authors: | Tomabechi, Y, Kukimoto-Niino, M, Shirouzu, M. | Deposit date: | 2016-10-04 | Release date: | 2017-10-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.945 Å) | Cite: | Activity cliff for 7-substituted pyrrolo-pyrimidine inhibitors of HCK explained in terms of predicted basicity of the amine nitrogen. Bioorg. Med. Chem., 25, 2017
|
|
4XZF
| Crystal structure of HIRAN domain of human HLTF in complex with DNA | Descriptor: | (DA)(DC)(DC)(DG)(DC)(DC)(DG)(DG)(DG)(DT)(DG)(DC)(DC), Helicase-like transcription factor | Authors: | Hishiki, A, Hashimoto, H. | Deposit date: | 2015-02-04 | Release date: | 2015-04-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Structure of a Novel DNA-binding Domain of Helicase-like Transcription Factor (HLTF) and Its Functional Implication in DNA Damage Tolerance J.Biol.Chem., 290, 2015
|
|
8K9O
| |
7XUA
| Structure of G9a in complex with compound 10a | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
|
|
7XUC
| Structure of G9a in complex with compound 11a | Descriptor: | 1,2-ETHANEDIOL, 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, CHLORIDE ION, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
|
|
7XUD
| Structure of G9a in complex with compound 26a | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
|
|
7XUB
| Structure of G9a in complex with compound 10d | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ... | Authors: | Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T. | Deposit date: | 2022-05-18 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents. J.Med.Chem., 66, 2023
|
|
7C3G
| Crystal structure of human ALK2 kinase domain with R206H mutation in complex with a bicyclic pyrazole inhibitor RK-73134 | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type-1, SULFATE ION, ... | Authors: | Sakai, N, Mishima-Tsumagari, C, Matsumoto, T, Shirouzu, M. | Deposit date: | 2020-05-12 | Release date: | 2021-03-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.802 Å) | Cite: | Novel bicyclic pyrazoles as potent ALK2 (R206H) inhibitors for the treatment of fibrodysplasia ossificans progressiva. Bioorg.Med.Chem.Lett., 38, 2021
|
|
5YD8
| |
7V5Q
| The dimeric structure of G80A/H81A/L137E myoglobin | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Xie, C, Komori, H, Hirota, S. | Deposit date: | 2021-08-17 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Experimental and theoretical study on converting myoglobin into a stable domain-swapped dimer by utilizing a tight hydrogen bond network at the hinge region. Rsc Adv, 11, 2021
|
|
7V5R
| The dimeric structure of G80A/H81A/L137D myoglobin | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Xie, C, Komori, H, Hirota, S. | Deposit date: | 2021-08-17 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Experimental and theoretical study on converting myoglobin into a stable domain-swapped dimer by utilizing a tight hydrogen bond network at the hinge region. Rsc Adv, 11, 2021
|
|
6IZX
| The RNA-dependent RNA polymerase domain of dengue 2 NS5, bound with RK-0404678 | Descriptor: | 2-oxo-2H-1,3-benzoxathiol-5-yl acetate, COBALT (II) ION, Genome polyprotein, ... | Authors: | Shimizu, H, Sekine, S. | Deposit date: | 2018-12-20 | Release date: | 2019-12-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discovery of a small molecule inhibitor targeting dengue virus NS5 RNA-dependent RNA polymerase. Plos Negl Trop Dis, 13, 2019
|
|
7V5P
| The dimeric structure of G80A/H81A myoglobin | Descriptor: | Myoglobin, OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Xie, C, Nagao, S, Shibata, N, Higuchi, Y, Hirota, S. | Deposit date: | 2021-08-17 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Experimental and theoretical study on converting myoglobin into a stable domain-swapped dimer by utilizing a tight hydrogen bond network at the hinge region. Rsc Adv, 11, 2021
|
|
6ADV
| Crystal Structure Analysis of the duplex containing the S2T(2',4'-BNA/LNA)G mismatch pairs | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*(9V9)P*GP*CP*G)-3' | Authors: | Aoyama, H.A, Habuchi, T.H, Yamaguchi, T.Y, Obika, S.O. | Deposit date: | 2018-08-02 | Release date: | 2019-03-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Hybridization and Mismatch Discrimination Abilities of 2',4'-Bridged Nucleic Acids Bearing 2-Thiothymine or 2-Selenothymine Nucleobase. J. Org. Chem., 84, 2019
|
|
3HLX
| |
3HML
| |
3HNH
| Crystal Structure of PqqC Active Site Mutant Y175S,R179S in complex with a reaction intermediate | Descriptor: | (2S,7R,9R)-4,5-dihydroxy-2,3,6,7,8,9-hexahydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid, Pyrroloquinoline-quinone synthase | Authors: | Puehringer, S, Schwarzenbacher, R. | Deposit date: | 2009-05-31 | Release date: | 2010-05-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural studies of mutant forms of the PQQ-forming enzyme PqqC in the presence of product and substrate Proteins, 78, 2010
|
|
3AI1
| The crystal structure of L-sorbose reductase from Gluconobacter frateurii complexed with NADPH and L-sorbose reveals the structure bases of its catalytic mechanism and high substrate selectivity | Descriptor: | NADPH-sorbose reductase | Authors: | Kubota, K, Nagata, K, Okai, M, Miyazono, K, Tanokura, M. | Deposit date: | 2010-05-06 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | The Crystal Structure of l-Sorbose Reductase from Gluconobacter frateurii Complexed with NADPH and l-Sorbose J.Mol.Biol., 407, 2011
|
|
2EXD
| The solution structure of the C-terminal domain of a nfeD homolog from Pyrococcus horikoshii | Descriptor: | nfeD short homolog | Authors: | Kuwahara, Y, Ohno, A, Morii, T, Tochio, H, Shirakawa, M, Hiroaki, H. | Deposit date: | 2005-11-08 | Release date: | 2006-12-12 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The solution structure of the C-terminal domain of NfeD reveals a novel membrane-anchored OB-fold. Protein Sci., 17, 2008
|
|
3AI3
| The crystal structure of L-Sorbose reductase from Gluconobacter frateurii complexed with NADPH and L-sorbose | Descriptor: | L-sorbose, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH-sorbose reductase, ... | Authors: | Kubota, K, Nagata, K, Okai, M, Miyazono, K, Tanokura, M. | Deposit date: | 2010-05-07 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Crystal Structure of l-Sorbose Reductase from Gluconobacter frateurii Complexed with NADPH and l-Sorbose J.Mol.Biol., 407, 2011
|
|
6JY4
| Monomeric Form of Bovine Heart Cytochrome c Oxidase in the Fully Reduced State | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (2S,3S,4S,5S,6R)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, ... | Authors: | Shinzawa-Itoh, K, Muramoto, K. | Deposit date: | 2019-04-26 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Monomeric structure of an active form of bovine cytochromecoxidase. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6JY3
| Monomeric Form of Bovine Heart Cytochrome c Oxidase in the Fully Oxidized State | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (2S,3S,4S,5S,6R)-2-(2-decoxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol, ... | Authors: | Shinzawa-Itoh, K, Muramoto, K. | Deposit date: | 2019-04-26 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Monomeric structure of an active form of bovine cytochromecoxidase. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|