6KWB
 
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5ZQP
 | | Tankyrase-2 in complex with compound 12 | | Descriptor: | 1'-(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)-2H-spiro[1-benzofuran-3,4'-piperidin]-2-one, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | | Deposit date: | 2018-04-19 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
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5ZQR
 | | Tankyrase-2 in complex with compound 40c | | Descriptor: | 2-[4,6-difluoro-1-(2-hydroxyethyl)-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl]-5,6,7,8-tetrahydroquinazolin-4(3H)-one, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | | Deposit date: | 2018-04-19 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
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6A84
 | | Tankyrase-2 in complex with compound 15d | | Descriptor: | 2-(4-chloro-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Niwa, H, Shirai, F, Sato, S, Yoshimoto, N, Tsumura, T, Okue, M, Shirouzu, M, Seimiya, H, Umehara, T. | | Deposit date: | 2018-07-06 | | Release date: | 2019-04-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of Novel Spiroindoline Derivatives as Selective Tankyrase Inhibitors.
J. Med. Chem., 62, 2019
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6L4U
 | | Structure of the PSI-FCPI supercomplex from diatom | | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Nagao, R, Kato, K, Miyazaki, N, Akita, F, Shen, J.R. | | Deposit date: | 2019-10-21 | | Release date: | 2020-05-20 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Structure of photosystem I-light-harvesting supercomplex from a red-lineage diatom
Nat Commun, 2020
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6L4T
 | | Structure of the peripheral FCPI from diatom | | Descriptor: | (3S,3'R,5R,6S,7cis)-7',8'-didehydro-5,6-dihydro-5,6-epoxy-beta,beta-carotene-3,3'-diol, (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | | Authors: | Nagao, R, Kato, K, Miyazaki, N, Akita, F, Shen, J.R. | | Deposit date: | 2019-10-21 | | Release date: | 2020-05-20 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structure of photosystem I-light-harvesting supercomplex from a red-lineage diatom
Nat Commun, 2020
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7VBM
 | | The mouse nucleosome structure containing H3mm18 aided by PL2-6 scFv | | Descriptor: | DNA (126-MER), Histone H2A type 1-B, Histone H2B type 3-A, ... | | Authors: | Hirai, S, Takizawa, Y, Kujirai, T, Kurumizaka, H. | | Deposit date: | 2021-08-31 | | Release date: | 2022-01-19 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Unusual nucleosome formation and transcriptome influence by the histone H3mm18 variant.
Nucleic Acids Res., 50, 2022
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7CUC
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7XTX
 | | High resolution crystal structure of human macrophage migration inhibitory factor in complex with methotrexate | | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... | | Authors: | Sugishima, K, Noguchi, K, Yohda, M, Odaka, M, Matsumura, H. | | Deposit date: | 2022-05-18 | | Release date: | 2023-05-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Identification of methotrexate as an inhibitor of macrophage migration inhibitory factor by high-resolution crystal structure analysis
To Be Published
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1XAC
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1XAD
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3AN3
 | | Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO3S | | Descriptor: | (2S)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K. | | Deposit date: | 2010-08-30 | | Release date: | 2011-07-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54, 2011
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3AN4
 | | Human PPAR gamma ligand binding domain in complex with a gamma selective agonist MO4R | | Descriptor: | (2R)-2-benzyl-3-(4-propoxy-3-{[({4-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}phenyl)propanoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Oyama, T, Ohashi, M, Waku, T, Miyachi, H, Morikawa, K. | | Deposit date: | 2010-08-30 | | Release date: | 2011-07-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design, Synthesis, and Structural Analysis of Phenylpropanoic Acid-Type PPAR gamma-Selective Agonists: Discovery of Reversed Stereochemistry-Activity Relationship
J.Med.Chem., 54, 2011
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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
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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
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1TCJ
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1TCH
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1TCG
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1TCK
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5OY4
 | | GSK3beta complex with N-(6-(3,4-dihydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide | | Descriptor: | Glycogen synthase kinase-3 beta, Proto-oncogene FRAT1, SULFATE ION, ... | | Authors: | Bax, B.D, Convery, M.A. | | Deposit date: | 2017-09-07 | | Release date: | 2017-11-01 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | From PIM1 to PI3K delta via GSK3 beta : Target Hopping through the Kinome.
ACS Med Chem Lett, 8, 2017
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2YZA
 | | Crystal structure of kinase domain of Human 5'-AMP-activated protein kinase alpha-2 subunit mutant (T172D) | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | | Authors: | Saijo, S, Takagi, T, Yoshikawa, S, Kishishita, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-05-04 | | Release date: | 2008-05-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Structural basis for compound C inhibition of the human AMP-activated protein kinase alpha 2 subunit kinase domain
Acta Crystallogr.,Sect.D, 67, 2011
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3A6V
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3A6T
 | | Crystal structure of MutT-8-OXO-DGMP complex | | Descriptor: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE, Mutator mutT protein, SODIUM ION, ... | | Authors: | Nakamura, T, Yamagata, Y. | | Deposit date: | 2009-09-09 | | Release date: | 2009-10-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base
J.Biol.Chem., 285, 2010
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5WVO
 | | Crystal structure of DNMT1 RFTS domain in complex with K18/K23 mono-ubiquitylated histone H3 | | Descriptor: | DNA (cytosine-5)-methyltransferase 1, Histone H3.1, Ubiquitin, ... | | Authors: | Ishiyama, S, Nishiyama, A, Nakanishi, M, Arita, K. | | Deposit date: | 2016-12-28 | | Release date: | 2017-11-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.997 Å) | | Cite: | Structure of the Dnmt1 Reader Module Complexed with a Unique Two-Mono-Ubiquitin Mark on Histone H3 Reveals the Basis for DNA Methylation Maintenance
Mol. Cell, 68, 2017
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3AQV
 | | Human AMP-activated protein kinase alpha 2 subunit kinase domain (T172D) complexed with compound C | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-2, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine | | Authors: | Handa, N, Takagi, T, Saijo, S, Kishishita, S, Toyama, M, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2010-11-19 | | Release date: | 2011-04-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural basis for compound C inhibition of the human AMP-activated protein kinase alpha 2 subunit kinase domain
Acta Crystallogr.,Sect.D, 67, 2011
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