9HFP
 
 | | ROCK2 IN COMPLEX WITH CPD7 | | 分子名称: | Rho-associated protein kinase 2, ~{N}-[4-[(3~{R})-piperidin-3-yl]oxyphenyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-amine | | 著者 | Scheufler, C, Griessner, A. | | 登録日 | 2024-11-18 | | 公開日 | 2025-07-09 | | 最終更新日 | 2025-07-23 | | 実験手法 | X-RAY DIFFRACTION (2.92 Å) | | 主引用文献 | Discovery and Optimization of Selective Inhibitors of Large Tumor Suppressor Kinases LATS1 and 2 for In Vivo Investigation of the Hippo-YAP Pathway in Tissue Regeneration.
J.Med.Chem., 68, 2025
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7RWN
 | | Crystal Structure of BPTF bromodomain in complex with 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one | | 分子名称: | 1,2-ETHANEDIOL, 4-chloro-5-{4-[(dimethylamino)methyl]anilino}-2-methylpyridazin-3(2H)-one, Nucleosome-remodeling factor subunit BPTF | | 著者 | Zahid, H, Buchholz, C, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | | 登録日 | 2021-08-20 | | 公開日 | 2022-08-24 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | | 主引用文献 | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
J.Med.Chem., 64, 2021
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8SIW
 | | Structure of Compound 5 bound to the CHK1 10-point mutant | | 分子名称: | (1S,2S)-N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide, Serine/threonine-protein kinase Chk1 | | 著者 | Palte, R.L. | | 登録日 | 2023-04-17 | | 公開日 | 2023-11-01 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.877 Å) | | 主引用文献 | Discovery of MK-1468: A Potent, Kinome-Selective, Brain-Penetrant Amidoisoquinoline LRRK2 Inhibitor for the Potential Treatment of Parkinson's Disease.
J.Med.Chem., 66, 2023
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9IJX
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8T7I
 | | Structure of the S1CE variant of Fab F1 (FabS1CE-F1) | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, S1CE variant of Fab F1 heavy chain, ... | | 著者 | Singer, A.U, Bruce, H.A, Enderle, L, Blazer, L, Adams, J.J, Sicheri, F, Sidhu, S.S. | | 登録日 | 2023-06-20 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Engineered antigen-binding fragments for enhanced crystallization of antibody:antigen complexes.
Protein Sci., 33, 2024
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4W7R
 | | Crystal Structure of Full-Length Split GFP Mutant E124H/K126H Copper Mediated Dimer, P 21 Space Group | | 分子名称: | 1,2-ETHANEDIOL, COPPER (II) ION, fluorescent protein E124H/K126C | | 著者 | Leibly, D.J, Waldo, G.S, Yeates, T.O. | | 登録日 | 2014-08-22 | | 公開日 | 2015-03-04 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A Suite of Engineered GFP Molecules for Oligomeric Scaffolding.
Structure, 23, 2015
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8K3U
 | | S. cerevisiae Chs1 in complex with UDP and GlcNAc | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Chitin synthase 1, ... | | 著者 | Bai, L, Chen, D. | | 登録日 | 2023-07-17 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.06 Å) | | 主引用文献 | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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4UOE
 | | Crystal Structure of Plasmodium Falciparum Spermidine Synthase in Complex with 5'-Deoxy-5'-Methylioadenosine and 4-Aminomethylaniline | | 分子名称: | 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL, 4-(aminomethyl)aniline, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | | 著者 | Sprenger, J, Halander, J.C, Svensson, B, Al-Karadaghi, S, Person, L. | | 登録日 | 2014-06-03 | | 公開日 | 2014-10-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Three-Dimensional Structures of Plasmodium Falciparum Spermidine Synthase with Bound Inhibitors Suggest New Strategies for Drug Design.
Acta Crystallogr.,Sect.D, 71, 2015
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8K3R
 | | S. cerevisiae Chs1 in apo state incubated with GlcNAc | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1 | | 著者 | Bai, L, Chen, D. | | 登録日 | 2023-07-16 | | 公開日 | 2023-08-16 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.51 Å) | | 主引用文献 | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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7SAY
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9FDI
 | | Gcase in complex with small molecule inhibitor 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(phenylmethyl)piperidine, ... | | 著者 | Tisi, D, Cleasby, A. | | 登録日 | 2024-05-17 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.41 Å) | | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
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8JYC
 | | Crystal Structure of Intracellular B30.2 Domain of BTN3A1 and BTN2A1 in Complex with DMAPP | | 分子名称: | 1,2-ETHANEDIOL, Butyrophilin subfamily 2 member A1, Butyrophilin subfamily 3 member A1, ... | | 著者 | Yuan, L.J, Yang, Y.Y, Li, X, Cai, N.N, Chen, C.-C, Guo, R.-T, Zhang, Y.H. | | 登録日 | 2023-07-03 | | 公開日 | 2023-09-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023
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4UN5
 | | Crystal structure of Cas9 bound to PAM-containing DNA target containing mismatches at positions 1-3 | | 分子名称: | CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, NON-TARGET DNA STRAND, ... | | 著者 | Anders, C, Niewoehner, O, Duerst, A, Jinek, M. | | 登録日 | 2014-05-25 | | 公開日 | 2014-07-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural Basis of Pam-Dependent Target DNA Recognition by the Cas9 Endonuclease
Nature, 513, 2014
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9I7E
 | | Crystal structure of HRP-2 PWWP domain with C64S mutation - Crystal form P1 type 2 | | 分子名称: | 1,2-ETHANEDIOL, Hepatoma-derived growth factor-related protein 2 | | 著者 | Vantieghem, T, Osipov, E.M, Strelkov, S.V. | | 登録日 | 2025-01-31 | | 公開日 | 2025-08-13 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Crystal engineering of the hepatoma-derived growth factor-related protein 2 PWWP domain towards crystallographic fragment screening.
Acta Crystallogr.,Sect.F, 81, 2025
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9FAD
 | | Gcase in complex with small molecule inhibitor 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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal acid glucosylceramidase, ... | | 著者 | Tisi, D, Cleasby, A. | | 登録日 | 2024-05-10 | | 公開日 | 2024-07-03 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Fragment-Based Discovery of a Series of Allosteric-Binding Site Modulators of beta-Glucocerebrosidase.
J.Med.Chem., 67, 2024
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8K3W
 | | S. cerevisiae Chs1 in complex with UDP-GlcNAc and GlcNAc | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1, MAGNESIUM ION, ... | | 著者 | Bai, L, Chen, D. | | 登録日 | 2023-07-17 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (2.91 Å) | | 主引用文献 | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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4UN4
 | | Crystal structure of Cas9 bound to PAM-containing DNA target with mismatches at positions 1-2 | | 分子名称: | CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, NON-TARGET DNA STRAND, ... | | 著者 | Anders, C, Niewoehner, O, Duerst, A, Jinek, M. | | 登録日 | 2014-05-25 | | 公開日 | 2014-07-23 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.371 Å) | | 主引用文献 | Structural Basis of Pam-Dependent Target DNA Recognition by the Cas9 Endonuclease
Nature, 513, 2014
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7L0N
 | | Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity | | 分子名称: | 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ... | | 著者 | Snell, G, Czudnochowski, N, Dillen, J, Nix, J.C, Croll, T.I, Corti, D. | | 登録日 | 2020-12-11 | | 公開日 | 2021-02-17 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.78 Å) | | 主引用文献 | Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Cell, 184, 2021
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8K3T
 | | S. cerevisiae Chs1 in complex with UDP | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1, MAGNESIUM ION, ... | | 著者 | Bai, L, Chen, D. | | 登録日 | 2023-07-17 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.57 Å) | | 主引用文献 | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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8K3Q
 | | S. cerevisiae Chs1 in apo state | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1 | | 著者 | Bai, L, Chen, D. | | 登録日 | 2023-07-16 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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8K3V
 | | S. cerevisiae Chs1 in complex with UDP-GlcNAc | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Chitin synthase 1, MAGNESIUM ION, ... | | 著者 | Bai, L, Chen, D. | | 登録日 | 2023-07-17 | | 公開日 | 2023-10-18 | | 最終更新日 | 2024-05-08 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structure, catalysis, chitin transport, and selective inhibition of chitin synthase.
Nat Commun, 14, 2023
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9HTC
 | | McCP in complex with photocaged nitric oxide, 1.44 s, 1600 microjoule, SSX | | 分子名称: | Cytochrome c, GLYCEROL, HEME C, ... | | 著者 | Smyth, P, Williams, L.J, Hough, M.A, Worrall, J.A.R, Owen, R.L. | | 登録日 | 2024-12-19 | | 公開日 | 2025-09-03 | | 最終更新日 | 2025-09-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Time-resolved serial synchrotron and serial femtosecond crystallography of heme proteins using photocaged nitric oxide.
Iucrj, 12, 2025
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5IHR
 | | STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH ALLOLACTOSE | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J. | | 登録日 | 2016-02-29 | | 公開日 | 2017-04-19 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages.
FEBS J., 284, 2017
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7S74
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4UCH
 | | Structure of human nNOS R354A G357D mutant heme domain in complex with 3-(((2-((2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)ETHYL)AMINO)METHYL) BENZONITRILE | | 分子名称: | 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, ... | | 著者 | Li, H, Poulos, T.L. | | 登録日 | 2014-12-03 | | 公開日 | 2014-12-24 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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