4DT2
 
 | | Crystal structure of red kidney bean purple acid phosphatase in complex with Maybridge fragment CC27209 | | 分子名称: | (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)methanol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Feder, D, Hussein, W.M, Clayton, D.J, Kan, M, Schenk, G, McGeary, R.P, Guddat, L.W. | | 登録日 | 2012-02-20 | | 公開日 | 2012-09-19 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Identification of purple acid phosphatase inhibitors by fragment-based screening: promising new leads for osteoporosis therapeutics.
Chem.Biol.Drug Des., 80, 2012
|
|
7JT1
 | |
5HL6
 | |
5WTC
 | | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor | | 分子名称: | 1-[[4-fluoranyl-3-[4-[2,2,2-tris(fluoranyl)ethyl]piperazin-1-yl]carbonyl-phenyl]methyl]quinazoline-2,4-dione, Poly [ADP-ribose] polymerase 1 | | 著者 | Cao, R, Wang, Y.L, Zhou, J, Huang, N, Xu, B.L. | | 登録日 | 2016-12-11 | | 公開日 | 2017-01-25 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of human PARP1 catalytic domain bound to a quinazoline-2,4(1H,3H)-dione inhibitor
To Be Published
|
|
9HCP
 | | Crystal structure of human TRF1 TRFH domain in complex with compound 15 | | 分子名称: | 1,2-ETHANEDIOL, 2-(difluoromethoxy)benzene-1-sulfonamide, CALCIUM ION, ... | | 著者 | Casale, G, Le Bihan, Y.-V, Van Montfort, R.L.M, Guettler, S. | | 登録日 | 2024-11-11 | | 公開日 | 2025-11-19 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Discovery of first-in-class inhibitors of the TRF1-TIN2 protein-protein interaction by fragment screening
To Be Published
|
|
6D6B
 | |
6DB8
 | | Structural basis for promiscuous binding and activation of fluorogenic dyes by DIR2s RNA aptamer | | 分子名称: | 2-[(Z)-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-3-(3-sulfopropyl)-1,3-benzothiazol-3-ium, Fab-Heavy chain, Fab-Light chain, ... | | 著者 | Shao, Y, Shelke, S.A, Laski, A, Piccirilli, J.A. | | 登録日 | 2018-05-02 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.86541343 Å) | | 主引用文献 | Structural basis for activation of fluorogenic dyes by an RNA aptamer lacking a G-quadruplex motif.
Nat Commun, 9, 2018
|
|
4XE0
 | | Idelalisib bound to the p110 subunit of PI3K delta | | 分子名称: | 5-fluoro-3-phenyl-2-[(1S)-1-(7H-purin-6-ylamino)propyl]quinazolin-4(3H)-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | 著者 | Somoza, J.R, Villasenor, A. | | 登録日 | 2014-12-20 | | 公開日 | 2015-02-04 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.434 Å) | | 主引用文献 | Structural, Biochemical, and Biophysical Characterization of Idelalisib Binding to Phosphoinositide 3-Kinase delta.
J.Biol.Chem., 290, 2015
|
|
9HCW
 | |
5AD3
 | | Bivalent binding to BET bromodomains | | 分子名称: | 3-methoxy-N-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidyl]phenoxy]ethyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine, BROMODOMAIN-CONTAINING PROTEIN 4 | | 著者 | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | | 登録日 | 2015-08-19 | | 公開日 | 2016-09-28 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Potent and Selective Bivalent Inhibitors of Bet Bromodomains
Nat.Chem.Biol., 12, 2016
|
|
6D6C
 | |
7AM0
 | | GqqA- a novel type of quorum quenching acylases | | 分子名称: | PHENYLALANINE, Prephenate dehydratase | | 著者 | Werner, N, Betzel, C. | | 登録日 | 2020-10-07 | | 公開日 | 2021-08-04 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | The Komagataeibacter europaeus GqqA is the prototype of a novel bifunctional N-Acyl-homoserine lactone acylase with prephenate dehydratase activity.
Sci Rep, 11, 2021
|
|
7T91
 | | Crystal structure of Zinc finger motif 1 and 2 of GLI1 DNA binding region | | 分子名称: | Isoform 2 of Zinc finger protein GLI1, ZINC ION | | 著者 | Wu, M, Zhang, S, Augelli-Szanfran, C.E, Boohaker, R.J. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-21 | | 最終更新日 | 2024-12-25 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structure Characterization of Zinc Finger Motif 1 and 2 of GLI1 DNA Binding Region
Int J Mol Sci, 25, 2024
|
|
7DSX
 | | Structure of a human NHE1-CHP1 complex under pH 7.5, bound by cariporide | | 分子名称: | (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, Calcineurin B homologous protein 1, N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide, ... | | 著者 | Dong, Y, Gao, Y, Li, B, Zhang, X.C, Zhao, Y. | | 登録日 | 2021-01-03 | | 公開日 | 2021-06-23 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structure and mechanism of the human NHE1-CHP1 complex.
Nat Commun, 12, 2021
|
|
7SU6
 | | DIHYDRONEOPTERIN ALDOLASE (DHNA) Lys98Ala FROM YERSINIA PESTIS CO-CRYSTALLIZED with 7,8-dihydroneopterin | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE, 7,8-dihydroneopterin aldolase | | 著者 | Bourne, C.R. | | 登録日 | 2021-11-16 | | 公開日 | 2022-12-28 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | DIHYDRONEOPTERIN ALDOLASE (DHNA) Lys98Ala FROM YERSINIA PESTIS CO-CRYSTALLIZED with 7,8-dihydroneopterin
To Be Published
|
|
7SU7
 | |
2V35
 | | Porcine Pancreatic Elastase in complex with inhibitor JM54 | | 分子名称: | (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID, ELASTASE-1, GLYCEROL, ... | | 著者 | Oliveira, T.F, Mulchande, J, Martins, L, Moreira, R, Iley, J, Archer, M. | | 登録日 | 2007-06-12 | | 公開日 | 2008-06-24 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | The Efficiency of C-4 Substituents in Activating the Beta-Lactam Scaffold Towards Serine Proteases and Hydroxide Ion.
Org.Biomol.Chem., 5, 2007
|
|
4BAL
 | | Thaumatin from Thaumatococcus daniellii structure in complex with the europium tris-hydroxymethyltriazoledipicolinate complex at 1.30 A resolution. | | 分子名称: | 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, EUROPIUM (III) ION, THAUMATIN-1 | | 著者 | Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E. | | 登録日 | 2012-09-14 | | 公開日 | 2012-11-14 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.298 Å) | | 主引用文献 | Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination.
Chem.Commun.(Camb.), 48, 2012
|
|
7T4I
 | | Crystal Structure of wild type EGFR in complex with TAK-788 | | 分子名称: | Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate | | 著者 | Skene, R.J, Lane, W. | | 登録日 | 2021-12-10 | | 公開日 | 2022-12-07 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
|
|
4MC3
 | | Hedycaryol synthase in complex with Nerolidol | | 分子名称: | (3R,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol, Putative sesquiterpene cyclase | | 著者 | Baer, P, Rabe, P, Cirton, C, Oliveira Mann, C, Kaufmann, N, Groll, M, Dickschat, J. | | 登録日 | 2013-08-21 | | 公開日 | 2014-01-29 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Hedycaryol synthase in complex with nerolidol reveals terpene cyclase mechanism.
Chembiochem, 15, 2014
|
|
6T1O
 | | Crystal structure of MLLT1 (ENL) YEATS domain in complexed with benzimidazole-amide derivative 6 | | 分子名称: | 1,2-ETHANEDIOL, 4-iodanyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL | | 著者 | Chaikuad, A, Heidenreich, D, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2019-10-04 | | 公開日 | 2019-11-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structural Insights into Interaction Mechanisms of Alternative Piperazine-urea YEATS Domain Binders in MLLT1.
Acs Med.Chem.Lett., 10, 2019
|
|
9KMF
 | | The Crystal Structure of dsPETase01 from Biortus | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha/beta hydrolase, ... | | 著者 | Wan, T, Wang, F, Lv, Z, Lin, D, Pan, W, Shang, H, Sun, J. | | 登録日 | 2024-11-16 | | 公開日 | 2025-11-19 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | The Crystal Structure of dsPETase01 from Biortus
To Be Published
|
|
9FVG
 | |
4XNE
 | | Crystal structure of ERK2 in complex with an inhibitor | | 分子名称: | 1-phenyl-1H-1,2,4-triazole-3,5-diamine, Mitogen-activated protein kinase 1, SULFATE ION | | 著者 | Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. | | 登録日 | 2015-01-15 | | 公開日 | 2015-08-12 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography.
Acta Crystallogr.,Sect.D, 71, 2015
|
|
1ZLX
 | | The apo structure of human glycinamide ribonucleotide transformylase | | 分子名称: | GLYCEROL, Phosphoribosylglycinamide formyltransferase | | 著者 | Dahms, T.E, Sainz, G, Giroux, E.L, Caperelli, C.A, Smith, J.L. | | 登録日 | 2005-05-09 | | 公開日 | 2005-08-23 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | The apo and ternary complex structures of a chemotherapeutic target: human glycinamide ribonucleotide transformylase.
Biochemistry, 44, 2005
|
|
