8SG5
 
 | | Cytochrome P450 (CYP) 3A5 crystallized with clotrimazole | | 分子名称: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A5, DODECYL NONA ETHYLENE GLYCOL ETHER, ... | | 著者 | Hsu, M.H, Johnson, E.F. | | 登録日 | 2023-04-11 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
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8SIL
 | | Lysozyme crystallized in cyclic olefin copolymer-based microfluidic chips | | 分子名称: | Lysozyme C | | 著者 | Liu, Z, Gu, K, Shelby, M.L, Gilbile, D, Lyubimov, A.Y, Russi, S, Cohen, A.E, Coleman, M.A, Frank, M, Kuhl, T.L, Botha, S, Poitevin, F, Sierra, R.G. | | 登録日 | 2023-04-16 | | 公開日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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8DNK
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5L1R
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5I9S
 | | MicroED structure of proteinase K at 1.75 A resolution | | 分子名称: | Proteinase K, SULFATE ION | | 著者 | Hattne, J, Shi, D, de la Cruz, M.J, Reyes, F.E, Gonen, T. | | 登録日 | 2016-02-20 | | 公開日 | 2016-06-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | ELECTRON CRYSTALLOGRAPHY (1.75 Å) | | 主引用文献 | Modeling truncated pixel values of faint reflections in MicroED images.
J.Appl.Crystallogr., 49, 2016
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7RA5
 | | CDK2 IN COMPLEX WITH COMPOUND 4 | | 分子名称: | 4-[7-(methanesulfonyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine, Cyclin-dependent kinase 2 | | 著者 | Marineau, J.J, Malojcic, G. | | 登録日 | 2021-06-30 | | 公開日 | 2021-11-03 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Discovery of SY-5609: A Selective, Noncovalent Inhibitor of CDK7.
J.Med.Chem., 65, 2022
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5KXW
 | | Hen Egg White Lysozyme at 278K, Data set 6 | | 分子名称: | Lysozyme C, SODIUM ION | | 著者 | Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H. | | 登録日 | 2016-07-20 | | 公開日 | 2016-09-07 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
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5IEX
 | | Crystal structure of (R,S)-S-{4-[(5-Bromo-4-{[(2R,3R)-2-hydroxy-1-methylpropyl]oxy}- pyrimidin-2-yl)amino]phenyl}-S-cyclopropylsulfoximide bound to CDK2 | | 分子名称: | (2R,3R)-3-[(5-bromo-2-{[4-(S-cyclopropylsulfonimidoyl)phenyl]amino}pyrimidin-4-yl)oxy]butan-2-ol, Cyclin-dependent kinase 2 | | 著者 | Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M. | | 登録日 | 2016-02-25 | | 公開日 | 2016-04-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
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8SCY
 | | Lysozyme crystallized in cyclic olefin copolymer-based microfluidic chips | | 分子名称: | Lysozyme C | | 著者 | Liu, Z, Gu, K, Shelby, M.L, Gilbile, D, Lyubimov, A.Y, Russi, S, Cohen, A.E, Coleman, M.A, Frank, M, Kuhl, T.L. | | 登録日 | 2023-04-05 | | 公開日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | A user-friendly plug-and-play cyclic olefin copolymer-based microfluidic chip for room-temperature, fixed-target serial crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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8SPD
 | | Cytochrome P450 (CYP) 3A4 crystallized with clotrimazole | | 分子名称: | 1-[(2-CHLOROPHENYL)(DIPHENYL)METHYL]-1H-IMIDAZOLE, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Hsu, M.H, Johnson, E.F. | | 登録日 | 2023-05-02 | | 公開日 | 2023-10-11 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochromes P450 3A5 and 3A4.
Drug Metab.Dispos., 51, 2023
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5I05
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5L14
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7R85
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5L1U
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5L23
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5L2T
 | | The X-ray co-crystal structure of human CDK6 and Ribociclib. | | 分子名称: | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Cyclin-dependent kinase 6 | | 著者 | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | | 登録日 | 2016-08-02 | | 公開日 | 2016-08-24 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.37 Å) | | 主引用文献 | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
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5I3O
 | | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | | 分子名称: | BMP-2-inducible protein kinase, N-(6-{3-[(dimethylsulfamoyl)amino]phenyl}-1H-indazol-3-yl)cyclopropanecarboxamide, SULFATE ION | | 著者 | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | | 登録日 | 2016-02-10 | | 公開日 | 2016-03-09 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor
To Be Published
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8DNI
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8DNJ
 | | Crystal structure of human KRAS G12C covalently bound with AstraZeneca WO2020/178282A1 compound 76 | | 分子名称: | 1-[(5S,9P,12aR)-9-(2-chloro-6-hydroxyphenyl)-8-ethynyl-10-fluoro-3,4,12,12a-tetrahydro-6H-pyrazino[2,1-c][1,4]benzoxazepin-2(1H)-yl]propan-1-one, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ... | | 著者 | Mohr, C. | | 登録日 | 2022-07-11 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | | 主引用文献 | Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors.
J.Comput.Aided Mol.Des., 36, 2022
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8DZT
 | | Crystal structure of human Sar1aH79G mutant | | 分子名称: | CALCIUM ION, GTP-binding protein SAR1a, GUANOSINE-5',3'-TETRAPHOSPHATE, ... | | 著者 | Huang, Q. | | 登録日 | 2022-08-08 | | 公開日 | 2022-11-30 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1.
Proteins, 91, 2023
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7R84
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8E83
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8E0A
 | | Crystal structure of human Sar1b | | 分子名称: | GTP-binding protein SAR1b, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION | | 著者 | Huang, Q. | | 登録日 | 2022-08-08 | | 公開日 | 2022-11-30 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (1.797 Å) | | 主引用文献 | The alarmone ppGpp selectively inhibits the isoform A of the human small GTPase Sar1.
Proteins, 91, 2023
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8SIV
 | | Structure of Compound 2 bound to the CHK1 10-point mutant | | 分子名称: | N-(7-chloro-6-{1-[(3R,4R)-4-hydroxy-3-methyloxolan-3-yl]piperidin-4-yl}isoquinolin-3-yl)cyclopropanecarboxamide, 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 (1.759 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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5L4Q
 | | Crystal Structure of Adaptor Protein 2 Associated Kinase 1 (AAK1) in Complex with LKB1 (AAK1 Dual Inhibitor) | | 分子名称: | 1,2-ETHANEDIOL, AP2-associated protein kinase 1, ~{N}-[5-(4-cyanophenyl)-1~{H}-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide | | 著者 | Sorrell, F.J, Williams, E, Fox, N, Abdul Azeez, K.R, Gileadi, O, von Delft, F, Edwards, A.M, Bountra, C, Elkins, J.M, Knapp, S. | | 登録日 | 2016-05-26 | | 公開日 | 2016-06-08 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Synthesis and Structure-Activity Relationships of 3,5-Disubstituted-pyrrolo[2,3- b]pyridines as Inhibitors of Adaptor-Associated Kinase 1 with Antiviral Activity.
J.Med.Chem., 2019
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