6YAA
 
 | | Structure of the (SR) Ca2+-ATPase bound to the inhibitor compound CAD204520 and TNP-ATP | | 分子名称: | 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine, POTASSIUM ION, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, ... | | 著者 | Heit, S, Marchesini, M, Gherli, A, Montanaro, A, Patrizi, L, Sorrentino, C, Pagliaro, L, Rompietti, C, Kitara, S, Olesen, C.E, Moller, J.V, Savi, M, Bocchi, L, Vilella, R, Rizzi, F, Baglione, M, Rastelli, G, Loiacona, C, La Starza, R, Mecucci, C, Stegmair, K, Aversa, F, Stilli, D, Lund Winther, A.M, Sportoletti, P, Dalby-Brown, W, Roti, G, Bublitz, M. | | 登録日 | 2020-03-11 | | 公開日 | 2020-05-20 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | | 主引用文献 | Blockade of Oncogenic NOTCH1 with the SERCA Inhibitor CAD204520 in T Cell Acute Lymphoblastic Leukemia.
Cell Chem Biol, 27, 2020
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8WTQ
 | | HUMAN SQUALENE SYNTHASE IN COMPLEX WITH {1-[2-Chloro-5-(2,2-dimethyl-propyl)-13-(2-methoxy-phenyl)-6-oxo-6,7,10,11-tetrahydro-5H,9H,13H-12-oxa-5,8-diaza-benzocycloundecene-8-carbonyl]-piperidin-4-yl}-acetic acid | | 分子名称: | 2-[1-[[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3-oxidanylidene-9-oxa-2,5-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-5-yl]carbonyl]piperidin-4-yl]ethanoic acid, PHOSPHATE ION, Squalene synthase | | 著者 | Suzuki, M, Haginoya, N, Suzuki, M, Ishigai, Y, Terayama, K, Kanda, A, Sugita, K. | | 登録日 | 2023-10-19 | | 公開日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Novel 11-Membered Templates as Squalene Synthase Inhibitors.
J.Med.Chem., 67, 2024
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8W0S
 | | Human EBP complexed with compound 3a | | 分子名称: | 1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | | 著者 | Sun, D, Masureel, M. | | 登録日 | 2024-02-14 | | 公開日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Discovery and Optimization of Selective Brain-Penetrant EBP Inhibitors that Enhance Oligodendrocyte Formation.
J.Med.Chem., 67, 2024
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8W0R
 | | Human EBP complexed with compound 1 | | 分子名称: | 1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | | 著者 | Sun, D, Masureel, M. | | 登録日 | 2024-02-14 | | 公開日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Discovery and Optimization of Selective Brain-Penetrant EBP Inhibitors that Enhance Oligodendrocyte Formation.
J.Med.Chem., 67, 2024
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1A5H
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6Y4C
 | | Structure of galectin-3C in complex with lactose determined by serial crystallography using an XtalTool support | | 分子名称: | CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | 著者 | Shilova, A, Hakansson, M, Welin, M, Kovacic, R, Mueller, U, Logan, D.T. | | 登録日 | 2020-02-20 | | 公開日 | 2020-06-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Current status and future opportunities for serial crystallography at MAX IV Laboratory.
J.Synchrotron Radiat., 27, 2020
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4TNJ
 | | RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 4.5 A resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | | 登録日 | 2014-06-04 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (4.5 Å) | | 主引用文献 | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
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1A8I
 | | SPIROHYDANTOIN INHIBITOR OF GLYCOGEN PHOSPHORYLASE | | 分子名称: | BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN, GLYCOGEN PHOSPHORYLASE B | | 著者 | Gregoriou, M, Noble, M.E.M, Watson, K.A, Garman, E.F, Krulle, T.M, De La Fuente, C, Fleet, G.W.J, Oikonomakos, N.G, Johnson, L.N. | | 登録日 | 1998-03-25 | | 公開日 | 1998-07-01 | | 最終更新日 | 2023-08-02 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | The structure of a glycogen phosphorylase glucopyranose spirohydantoin complex at 1.8 A resolution and 100 K: the role of the water structure and its contribution to binding.
Protein Sci., 7, 1998
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7PON
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7KGU
 | | Structure of 2Q1-Fab, an antibody selective for IDH2R140Q-HLA-B*07:02 | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Miller, M.S, Aytenfisu, T.Y, Wright, K.M, Gabelli, S.B. | | 登録日 | 2020-10-18 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
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7PIK
 | | Cryo-EM structure of E. coli TnsB in complex with right end fragment of Tn7 transposon | | 分子名称: | Right end fragment of Tn7 transposon, Transposon Tn7 transposition protein TnsB | | 著者 | Kaczmarska, Z, Czarnocki-Cieciura, M, Rawski, M, Nowotny, M. | | 登録日 | 2021-08-20 | | 公開日 | 2022-06-15 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (2.68 Å) | | 主引用文献 | Structural basis of transposon end recognition explains central features of Tn7 transposition systems.
Mol.Cell, 82, 2022
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6Y07
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4RWU
 | | J-domain of Sis1 protein, Hsp40 co-chaperone from Saccharomyces cerevisiae | | 分子名称: | Protein SIS1 | | 著者 | Osipiuk, J, Zhou, M, Gu, M, Sahi, C, Craig, E.A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | 登録日 | 2014-12-05 | | 公開日 | 2014-12-17 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Roles of intramolecular and intermolecular interactions in functional regulation of the Hsp70 J-protein co-chaperone Sis1.
J.Mol.Biol., 427, 2015
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7YYW
 | | Molecular snapshots of drug release from tubulin: 10 nanoseconds after photoactivation. | | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | 著者 | Wranik, M, Weinert, T, Standfuss, J. | | 登録日 | 2022-02-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YZ5
 | | Molecular snapshots of drug release from tubulin: 100 milliseconds (steady state) | | 分子名称: | CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Wranik, M, Weinert, T, Standfuss, J. | | 登録日 | 2022-02-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YZ2
 | | Molecular snapshots of drug release from tubulin: 10 milliseconds after photoactivation. | | 分子名称: | Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | | 著者 | Wranik, M, Weinert, T, Standfuss, J. | | 登録日 | 2022-02-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YYV
 | | Molecular snapshots of drug release from tubulin: 1 nanosecond after photoactivation. | | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | 著者 | Wranik, M, Weinert, T, Standfuss, J. | | 登録日 | 2022-02-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YZ1
 | | Molecular snapshots of drug release from tubulin: 1 millisecond after photoactivation. | | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | 著者 | Wranik, M, Weinert, T, Standfuss, J. | | 登録日 | 2022-02-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YYZ
 | | Molecular snapshots of drug release from tubulin: 10 microseconds after photoactivation. | | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | 著者 | Wranik, M, Weinert, T, Standfuss, J. | | 登録日 | 2022-02-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YZ6
 | | Molecular snapshots of drug release from tubulin: Dark (steady state) | | 分子名称: | Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | 著者 | Wranik, M, Weinert, T, Standfuss, J. | | 登録日 | 2022-02-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YZ0
 | | Molecular snapshots of drug release from tubulin: 100 microseconds after photoactivation. | | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | 著者 | Wranik, M, Weinert, T, Standfuss, J. | | 登録日 | 2022-02-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YYY
 | | Molecular snapshots of drug release from tubulin: 1 microsecond after photoactivation | | 分子名称: | Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | 著者 | Wranik, M, Weinert, T, Standfuss, J. | | 登録日 | 2022-02-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YZ3
 | | Molecular snapshots of drug release from tubulin: Apo state | | 分子名称: | CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | | 著者 | Wranik, M, Weinert, T, Standfuss, J. | | 登録日 | 2022-02-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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7YYQ
 | | Molecular snapshots of drug release from tubulin: Dark state | | 分子名称: | Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ... | | 著者 | Wranik, M, Weinert, T, Standfuss, J. | | 登録日 | 2022-02-18 | | 公開日 | 2023-02-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
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4TNI
 | | RT XFEL structure of Photosystem II 500 ms after the third illumination at 4.6 A resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Kern, J, Tran, R, Alonso-Mori, R, Koroidov, S, Echols, N, Hattne, J, Ibrahim, M, Gul, S, Laksmono, H, Sierra, R.G, Gildea, R.J, Han, G, Hellmich, J, Lassalle-Kaiser, B, Chatterjee, R, Brewster, A, Stan, C.A, Gloeckner, C, Lampe, A, DiFiore, D, Milathianaki, D, Fry, A.R, Seibert, M.M, Koglin, J.E, Gallo, E, Uhlig, J, Sokaras, D, Weng, T.-C, Zwart, P.H, Skinner, D.E, Bogan, M.J, Messerschmidt, M, Glatzel, P, Williams, G.J, Boutet, S, Adams, P.D, Zouni, A, Messinger, J, Sauter, N.K, Bergmann, U, Yano, J, Yachandra, V.K. | | 登録日 | 2014-06-04 | | 公開日 | 2014-07-09 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (4.6 Å) | | 主引用文献 | Taking snapshots of photosynthetic water oxidation using femtosecond X-ray diffraction and spectroscopy.
Nat Commun, 5, 2014
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