9F45
 
 | |
5VA6
 | | CRYSTAL STRUCTURE OF ATXR5 IN COMPLEX WITH HISTONE H3.1 MONO-METHYLATED ON R26 | | 分子名称: | Histone H3.1, Probable Histone-lysine N-methyltransferase ATXR5, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Bergamin, E, Sarvan, S, Malette, J, Eram, M, Yeung, S, Mongeon, V, Joshi, M, Brunzelle, J.S, Michaels, S.D, Blais, A, Vedadi, M, Couture, J.-F. | | 登録日 | 2017-03-24 | | 公開日 | 2017-04-19 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Molecular basis for the methylation specificity of ATXR5 for histone H3.
Nucleic Acids Res., 45, 2017
|
|
9J0P
 | | Arrested elongation complex of mammalian RNA polymerase II with nucleosome (AEC2-nuc) | | 分子名称: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB11-a, ... | | 著者 | Naganuma, M, Kujirai, T, Ehara, H, Uejima, T, Ito, T, Goto, M, Aoki, M, Henmi, M, Miyamoto-Kohno, S, Shirouzu, M, Kurumizaka, H, Sekine, S. | | 登録日 | 2024-08-02 | | 公開日 | 2025-02-05 | | 最終更新日 | 2025-07-02 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural insights into promoter-proximal pausing of RNA polymerase II at +1 nucleosome.
Sci Adv, 11, 2025
|
|
5IWM
 | | 2.5A structure of GSK945237 with S.aureus DNA gyrase and DNA. | | 分子名称: | (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one, DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*TP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*GP*CP*GP*GP*TP*GP*AP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3'), ... | | 著者 | Bax, B.D, Miles, T.J. | | 登録日 | 2016-03-22 | | 公開日 | 2016-05-25 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Novel tricyclics (e.g., GSK945237) as potent inhibitors of bacterial type IIA topoisomerases.
Bioorg.Med.Chem.Lett., 26, 2016
|
|
2SIC
 | | REFINED CRYSTAL STRUCTURE OF THE COMPLEX OF SUBTILISIN BPN' AND STREPTOMYCES SUBTILISIN INHIBITOR AT 1.8 ANGSTROMS RESOLUTION | | 分子名称: | CALCIUM ION, STREPTOMYCES SUBTILISIN INHIBITOR (SSI), SUBTILISIN BPN' | | 著者 | Mitsui, Y, Takeuchi, Y, Hirono, S, Akagawa, H, Nakamura, K.T. | | 登録日 | 1991-04-01 | | 公開日 | 1993-04-15 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Refined crystal structure of the complex of subtilisin BPN' and Streptomyces subtilisin inhibitor at 1.8 A resolution.
J.Mol.Biol., 221, 1991
|
|
5HRR
 | | HIV Integrase Catalytic Domain containing F185K + A124N + T125S mutations complexed with GSK0002 | | 分子名称: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | | 著者 | Nolte, R.T. | | 登録日 | 2016-01-24 | | 公開日 | 2016-12-14 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
|
|
6AYK
 | |
4IB2
 | |
9J0O
 | | Arrested elongation complex of mammalian RNA polymerase II with nucleosome (AEC1-nuc) | | 分子名称: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB11-a, ... | | 著者 | Naganuma, M, Kujirai, T, Ehara, H, Uejima, T, Ito, T, Goto, M, Aoki, M, Henmi, M, Miyamoto-Kohno, S, Shirouzu, M, Kurumizaka, H, Sekine, S. | | 登録日 | 2024-08-02 | | 公開日 | 2025-02-05 | | 最終更新日 | 2025-06-18 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | Structural insights into promoter-proximal pausing of RNA polymerase II at +1 nucleosome.
Sci Adv, 11, 2025
|
|
3OPZ
 | | Crystal structure of trans-sialidase in complex with the Fab fragment of a neutralizing monoclonal IgG antibody | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, SODIUM ION, Trans-sialidase, ... | | 著者 | Larrieux, N, Muia, R, Campetella, O, Buschiazzo, A. | | 登録日 | 2010-09-02 | | 公開日 | 2011-11-09 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Trypanosoma cruzi trans-sialidase in complex with a neutralizing antibody: structure/function studies towards the rational design of inhibitors.
Plos Pathog., 8, 2012
|
|
5Y8Y
 | | Crystal Structure Analysis of the BRD4 | | 分子名称: | 1,2-ETHANEDIOL, 5-bromanyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, Bromodomain-containing protein 4, ... | | 著者 | Xu, Y, Zhang, Y, Song, M, Wang, C. | | 登録日 | 2017-08-21 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
|
|
3LR2
 | | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay | | 分子名称: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Major ampullate spidroin 1 | | 著者 | Askarieh, G, Hedhammar, H, Nordling, K, Johansson, J, Knight, S.D, Rising, A, Casals, C, Saenz, A. | | 登録日 | 2010-02-10 | | 公開日 | 2010-05-12 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Self-assembly of spider silk proteins is controlled by a pH-sensitive relay.
Nature, 465, 2010
|
|
3L5V
 | |
7LLI
 | | Stimulatory immune receptor protein complex | | 分子名称: | 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... | | 著者 | Rice, M.T, Littler, D.R, Rossjohn, J, Gully, B.S. | | 登録日 | 2021-02-04 | | 公開日 | 2021-11-17 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | | 主引用文献 | Recognition of the antigen-presenting molecule MR1 by a V delta 3 + gamma delta T cell receptor.
Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
5TAP
 | | Structure of rabbit RyR1 (Caffeine/ATP/EGTA dataset, all particles) | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, Peptidyl-prolyl cis-trans isomerase FKBP1B, ... | | 著者 | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | | 登録日 | 2016-09-10 | | 公開日 | 2016-10-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (4.4 Å) | | 主引用文献 | Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
|
|
5JSW
 | | tRNA guanine Transglycosylase (TGT) in co-crystallized complex with 6-amino-2-((((3a'R,6'R,6a'R)-2,2,2',2'-tetramethyldihydro-3a'H-spiro[[1,3]dioxolane-4,4'-furo[3,4-d][1,3]dioxol]-6'-yl)methyl)amino)-1H-imidazo[4,5-g]quinazolin-8(7H)-one | | 分子名称: | 1,2-ETHANEDIOL, 6-amino-2-({[(3a'R,4S,6'R,6a'R)-2,2,2',2'-tetramethyldihydro-3a'H-spiro[1,3-dioxolane-4,4'-furo[3,4-d][1,3]dioxol]-6'-yl]methyl}amino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one (non-preferred name), CHLORIDE ION, ... | | 著者 | Ehrmann, F.R, Nguyen, D, Heine, A, Klebe, G. | | 登録日 | 2016-05-09 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | | 主引用文献 | Application of carbohydrates based lin-benzoguanines in a solvent-exposed subpocket of the tRNA-modifying Enzyme TGT
To be Published
|
|
5HRP
 | | HIV Integrase Catalytic Domain containing F185K + A124T mutations complexed with GSK0002 | | 分子名称: | (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ... | | 著者 | Nolte, R.T. | | 登録日 | 2016-01-24 | | 公開日 | 2016-12-14 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
|
|
3S6O
 | |
6UUD
 | | Crystal structure of antibody 5D5 in complex with PfCSP N-terminal peptide | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 5D5 Antibody Fab, ... | | 著者 | Thai, E, Scally, S.W, Julien, J.P. | | 登録日 | 2019-10-30 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | A high-affinity antibody against the CSP N-terminal domain lacks Plasmodium falciparum inhibitory activity.
J.Exp.Med., 217, 2020
|
|
4HWV
 | |
1HRV
 | | HRV14/SDZ 35-682 COMPLEX | | 分子名称: | 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ... | | 著者 | Oren, D.A, Zhang, A, Arnold, E. | | 登録日 | 1995-03-02 | | 公開日 | 1995-06-03 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | SDZ 35-682, a new picornavirus capsid-binding agent with potent antiviral activity.
Antiviral Res., 26, 1995
|
|
5K0G
 | | Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1,3-dimethylpyrazole | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole, Catechol O-methyltransferase, ... | | 著者 | Ehler, A, rodriguez-Sarmiento, R.M, Rudolph, M.G. | | 登録日 | 2016-05-17 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket.
J. Med. Chem., 59, 2016
|
|
6FBP
 | | Human Methionine Adenosyltransferase II mutant (S114A) in P22121 crystal form | | 分子名称: | (DIPHOSPHONO)AMINOPHOSPHONIC ACID, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Panmanee, J, Antonyuk, S.V, Hasnain, S.S. | | 登録日 | 2017-12-19 | | 公開日 | 2019-01-30 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Control and regulation of S-Adenosylmethionine biosynthesis by the regulatory beta subunit and quinolone-based compounds.
Febs J., 286, 2019
|
|
5CT0
 | | Crystal structure of CK2alpha with 3-(3-chloro-4-(phenyl)benzylamino)propan-1-ol bound | | 分子名称: | 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol, ACETATE ION, Casein kinase II subunit alpha | | 著者 | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | 登録日 | 2015-07-23 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.008 Å) | | 主引用文献 | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
|
|
6EUG
 | |
