7LZS
 
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-11029 | | 分子名称: | 3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide, B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, ... | | 著者 | Kuntz, D.A, Prive, G.G. | | 登録日 | 2021-03-10 | | 公開日 | 2022-03-16 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
|
|
7MDP
 | | KRas G12C in complex with G-2897 | | 分子名称: | 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 4-(trifluoromethyl)-1,3-benzothiazol-2-amine, ... | | 著者 | Oh, A, Frank, Y, Wang, W. | | 登録日 | 2021-04-05 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
|
|
4WV1
 | |
6GL0
 | | Structure of ZgEngAGH5_4 in complex with a cellotriose | | 分子名称: | Endoglucanase, family GH5, MAGNESIUM ION, ... | | 著者 | Dorival, J, Ruppert, S, Gunnoo, M, Orlowski, A, Chapelais, M, Dabin, J, Labourel, A, Thompson, D, Michel, G, Czjzek, M, Genicot, S. | | 登録日 | 2018-05-22 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The laterally acquired GH5ZgEngAGH5_4from the marine bacteriumZobellia galactanivoransis dedicated to hemicellulose hydrolysis.
Biochem. J., 475, 2018
|
|
6GL2
 | | Structure of ZgEngAGH5_4 wild type at 1.2 Angstrom resolution | | 分子名称: | Endoglucanase, family GH5, IMIDAZOLE | | 著者 | Dorival, J, Ruppert, S, Gunnoo, M, Orlowski, A, Chapelais, M, Dabin, J, Labourel, A, Thompson, D, Michel, G, Czjzek, M, Genicot, S. | | 登録日 | 2018-05-22 | | 公開日 | 2018-10-31 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | The laterally acquired GH5ZgEngAGH5_4from the marine bacteriumZobellia galactanivoransis dedicated to hemicellulose hydrolysis.
Biochem. J., 475, 2018
|
|
8BWU
 | | Crystal structure of SARS-CoV-2 nsp14 methyltransferase domain in complex with the SS148 inhibitor | | 分子名称: | (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid, Transcription factor ETV6,Proofreading exoribonuclease nsp14, ZINC ION | | 著者 | Konkolova, E, Klima, M, Boura, E, Jin, J, Kaniskan, H.U, Han, Y, Vedadi, M. | | 登録日 | 2022-12-07 | | 公開日 | 2023-10-11 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes
Digit Discov, 2024
|
|
8EHC
 | |
8EHB
 | |
8EHD
 | | Structure of Tannerella forsythia potempin E | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Potempin E (PotE) | | 著者 | Gomis-Ruth, F.X. | | 登録日 | 2022-09-14 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
|
|
8EHE
 | |
6GWJ
 | | Human OSGEP / LAGE3 / GON7 complex | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, EKC/KEOPS complex subunit GON7, ... | | 著者 | Missoury, S, Liger, D, Durand, D, Collinet, B, Tilbeurgh, V.H. | | 登録日 | 2018-06-25 | | 公開日 | 2019-07-03 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Defects in t 6 A tRNA modification due to GON7 and YRDC mutations lead to Galloway-Mowat syndrome.
Nat Commun, 10, 2019
|
|
8CK6
 | | Crystal structure of maize CKO/CKX8 in complex with urea-derived inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-methoxy-benzamide | | 分子名称: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide, FLAVIN-ADENINE DINUCLEOTIDE, ... | | 著者 | Kopecny, D, Briozzo, P, Morera, S. | | 登録日 | 2023-02-14 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
|
|
8CKQ
 | | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]benzamide | | 分子名称: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Kopecny, D, Briozzo, P, Morera, S. | | 登録日 | 2023-02-16 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
|
|
8CKT
 | | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-(trifluoromethoxy)benzamide | | 分子名称: | 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Kopecny, D, Briozzo, P, Morera, S. | | 登録日 | 2023-02-16 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
|
|
8CLW
 | | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[(3,5-dichlorophenyl)carbamoylamino]-4-methoxy-benzamide | | 分子名称: | 1,2-ETHANEDIOL, 2-[[3,5-bis(chloranyl)phenyl]carbamoylamino]-4-methoxy-benzamide, Cytokinin dehydrogenase 4, ... | | 著者 | Kopecny, D, Briozzo, P, Morera, S. | | 登録日 | 2023-02-17 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
|
|
8CM2
 | | Crystal structure of maize cytokinin oxidase/dehydrogenase 4 (CKO/CKX4) in complex with inhibitor 2-[[3,5-dichloro-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethoxy)benzamide | | 分子名称: | 2-[[3,5-bis(chloranyl)-2-(2-hydroxyethyl)phenyl]carbamoylamino]-4-(trifluoromethyloxy)benzamide, Cytokinin dehydrogenase 4, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Kopecny, D, Briozzo, P, Morera, S. | | 登録日 | 2023-02-17 | | 公開日 | 2024-02-28 | | 最終更新日 | 2024-09-04 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Cytokinin oxidase/dehydrogenase inhibitors: progress towards agricultural practice.
J.Exp.Bot., 75, 2024
|
|
8FYG
 | | Crystal structure of Hyaluronate lyase A from Cutibacterium acnes | | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Hyaluronate lyase | | 著者 | Katiki, M, McNally, R, Chatterjee, A, Hajam, I.A, Liu, G.Y, Murali, R. | | 登録日 | 2023-01-26 | | 公開日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Functional divergence of a bacterial enzyme promotes healthy or acneic skin.
Nat Commun, 14, 2023
|
|
8FNX
 | | Crystal structure of Hyaluronate lyase B from Cutibacterium acnes | | 分子名称: | GLYCEROL, Hyaluronate lyase, PHOSPHATE ION | | 著者 | Katiki, M, McNally, R, Chatterjee, A, Hajam, I.A, Liu, G.Y, Murali, R. | | 登録日 | 2022-12-28 | | 公開日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Functional divergence of a bacterial enzyme promotes healthy or acneic skin.
Nat Commun, 14, 2023
|
|
6XCG
 | | Histone-lysine N-methyltransferase NSD2-PWWP1 with compound UNC6934 | | 分子名称: | Histone-lysine N-methyltransferase NSD2, N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide, UNKNOWN ATOM OR ION | | 著者 | Zhou, M.Q, Dong, A, Ingerman, L.A, Hanley, R.P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | 登録日 | 2020-06-08 | | 公開日 | 2020-07-22 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization.
Nat.Chem.Biol., 18, 2022
|
|
8G9W
 | | Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 1) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | 著者 | Changela, A, Gorman, J, Kwong, P.D. | | 登録日 | 2023-02-22 | | 公開日 | 2023-04-19 | | 最終更新日 | 2023-06-14 | | 実験手法 | ELECTRON MICROSCOPY (4.66 Å) | | 主引用文献 | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
|
|
8G9Y
 | | Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 3) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | 著者 | Changela, A, Gorman, J, Kwong, P.D. | | 登録日 | 2023-02-22 | | 公開日 | 2023-04-19 | | 最終更新日 | 2023-06-14 | | 実験手法 | ELECTRON MICROSCOPY (4.28 Å) | | 主引用文献 | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
|
|
8G9X
 | | Cryo-EM structure of vFP49.02 Fab in complex with HIV-1 Env BG505 DS-SOSIP.664 (conformation 2) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | 著者 | Changela, A, Gorman, J, Kwong, P.D. | | 登録日 | 2023-02-22 | | 公開日 | 2023-04-19 | | 最終更新日 | 2023-06-14 | | 実験手法 | ELECTRON MICROSCOPY (4.46 Å) | | 主引用文献 | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
|
|
8B2N
 | | Potempin A (PotA) from Tannerella forsythia in complex with the catalytic domain of human MMP-12 | | 分子名称: | CALCIUM ION, Macrophage metalloelastase, Tannerella forsythia potempin A (PotA), ... | | 著者 | Potempa, J, Ksiazek, M, Goulas, T, Cuppari, A, Rodriguez-Banqueri, A, Arolas, J.L, Lopez-Pelegrin, M, Garcia-Ferrer, I, Guevara, T. | | 登録日 | 2022-09-14 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
|
|
8B2Q
 | | Matrix-metallopeptidase inhibitor Potempin A (PotA) from Tannerella forsythia in complex with T. forsythia karilysin. | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GLYCEROL, ... | | 著者 | Potempa, J, Ksiazek, M, Goulas, T, Cuppari, A, Rodriguez-Banqueri, A, Arolas, J.L, Lopez-Pelegrin, M, Garcia-Ferrer, I, Guevara, T. | | 登録日 | 2022-09-14 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
|
|
8B2M
 | | Matrix-metallopeptidase inhibitor Potempin A (PotA) from Tannerella forsythia | | 分子名称: | NICKEL (II) ION, Tannerella forsythia Potempin A (PotA) | | 著者 | Potempa, J, Ksiazek, M, Goulas, T, Cuppari, A, Rodriguez-Banqueri, A, Arolas, J.L, Lopez-Pelegrin, M, Garcia-Ferrer, I, Guevara, T. | | 登録日 | 2022-09-14 | | 公開日 | 2022-12-21 | | 最終更新日 | 2023-02-22 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A unique network of attack, defence and competence on the outer membrane of the periodontitis pathogen Tannerella forsythia.
Chem Sci, 14, 2023
|
|
