6WIN
 
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7SSK
 | | Human P300 complexed with a glycine-based inhibitor | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Histone acetyltransferase p300, ... | | 著者 | Shewchuk, L.M, Reid, R.A. | | 登録日 | 2021-11-11 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | | 主引用文献 | Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
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5DDR
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7TCT
 | | Integrin alpha IIB beta3 complex with UR2922 | | 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, CALCIUM ION, ... | | 著者 | Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A. | | 登録日 | 2021-12-28 | | 公開日 | 2022-08-17 | | 最終更新日 | 2024-10-02 | | 実験手法 | X-RAY DIFFRACTION (2.501 Å) | | 主引用文献 | A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
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5WIT
 | | Crystal structure of the Thermus thermophilus 70S ribosome in complex with pikromycin and bound to mRNA and A-, P- and E-site tRNAs at 2.6A resolution | | 分子名称: | (3R,5R,6S,7S,9R,11E,13S,14R)-14-ethyl-13-hydroxy-3,5,7,9,13-pentamethyl-2,4,10-trioxo-1-oxacyclotetradec-11-en-6-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside, 16S Ribosomal RNA, 23S Ribosomal RNA, ... | | 著者 | Almutairi, M.M, Svetlov, M.S, Hansen, D.A, Khabibullina, N.F, Klepacki, D, Kang, H.Y, Sherman, D.H, Vazquez-Laslop, N, Polikanov, Y.S, Mankin, A.S. | | 登録日 | 2017-07-20 | | 公開日 | 2018-02-14 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Co-produced natural ketolides methymycin and pikromycin inhibit bacterial growth by preventing synthesis of a limited number of proteins.
Nucleic Acids Res., 45, 2017
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5KCI
 | | Crystal Structure of HTC1 | | 分子名称: | GLYCEROL, SULFATE ION, Uncharacterized protein YPL067C, ... | | 著者 | Martin, R.M, Horowitz, S, Koepnick, B, Cooper, S, Flatten, J, Rogawski, D.S, Koropatkin, N.M, Beinlich, F.R.M, Players, F, Students, U.M, Popovic, Z, Baker, D, Khatib, F, Bardwell, J.C.A. | | 登録日 | 2016-06-06 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.833 Å) | | 主引用文献 | Determining crystal structures through crowdsourcing and coursework.
Nat Commun, 7, 2016
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5MM6
 | | Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide | | 分子名称: | D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Marca, A, Sandner, A, Heine, A, Klebe, G. | | 登録日 | 2016-12-08 | | 公開日 | 2017-12-20 | | 最終更新日 | 2018-06-27 | | 実験手法 | X-RAY DIFFRACTION (1.29 Å) | | 主引用文献 | Thrombin Mutant A190S in complex with (S)-1-(D-phenylalanyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide
to be published
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5FD6
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5MMG
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4ZIZ
 | | Serial Femtosecond Crystallography of Soluble Proteins in Lipidic Cubic Phase (C-Phycocyanin from T. elongatus) | | 分子名称: | C-phycocyanin alpha chain, C-phycocyanin beta chain, PHYCOCYANOBILIN | | 著者 | Fromme, R, Ishchenko, A, Metz, M, Roy-Chowdhury, S, Basu, S, Boutet, S, Fromme, P, White, T.A, Barty, A, Spence, J.C.H, Weierstall, U, Liu, W, Cherezov, V. | | 登録日 | 2015-04-28 | | 公開日 | 2015-08-19 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Serial femtosecond crystallography of soluble proteins in lipidic cubic phase.
IUCrJ, 2, 2015
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6THW
 | | IRAK4 in complex with inhibitor | | 分子名称: | 7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine, Interleukin-1 receptor-associated kinase 4 | | 著者 | Xue, Y, Aagaard, A, Degorce, S.L. | | 登録日 | 2019-11-21 | | 公開日 | 2020-10-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors.
Bioorg.Med.Chem., 28, 2020
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6C6U
 | | CryoEM structure of E.coli RNA polymerase elongation complex bound with NusG | | 分子名称: | DNA (29-MER), DNA-DIRECTED RNA POLYMERASE BETA', DNA-directed RNA polymerase subunit alpha, ... | | 著者 | Kang, J.Y, Artsimovitch, I, Landick, R, Darst, S.A. | | 登録日 | 2018-01-19 | | 公開日 | 2018-07-25 | | 最終更新日 | 2024-03-13 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Structural Basis for Transcript Elongation Control by NusG Family Universal Regulators.
Cell, 173, 2018
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6GGB
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3NG6
 | | The crystal structure of hemoglobin I from Trematomus newnesi in deoxygenated state obtained through an oxidation/reduction cycle in which potassium hexacyanoferrate and sodium dithionite were alternatively added | | 分子名称: | Hemoglobin subunit alpha-1, Hemoglobin subunit beta-1/2, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Vergara, A, Vitagliano, L, Merlino, A, Sica, F, Marino, K, Mazzarella, L. | | 登録日 | 2010-06-11 | | 公開日 | 2010-07-28 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | An order-disorder transition plays a role in switching off the root effect in fish hemoglobins.
J.Biol.Chem., 285, 2010
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7SS8
 | | Human P300 complexed with a proline-based inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide, Histone acetyltransferase p300, ... | | 著者 | Shewchuk, L.M, Reid, R.A. | | 登録日 | 2021-11-10 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Discovery of Proline-Based p300/CBP Inhibitors Using DNA-Encoded Library Technology in Combination with High-Throughput Screening.
J.Med.Chem., 65, 2022
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8CPI
 | | Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 | | 分子名称: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma | | 著者 | Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2023-03-02 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
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6QNM
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6TJH
 | | Crystal structure of the computationally designed Cake9 protein | | 分子名称: | Cake9, GLYCEROL, SULFATE ION | | 著者 | Mylemans, B, Laier, I, Noguchi, H, Voet, A.R.D. | | 登録日 | 2019-11-26 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | Structural plasticity of a designer protein sheds light on beta-propeller protein evolution.
Febs J., 288, 2021
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6GGY
 | | Paenibacillus sp. YM1 laminaribiose phosphorylase with sulphate bound | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Laminaribiose phosphorylase, ... | | 著者 | Kuhaudomlarp, S, Walpole, S, Stevenson, C.E.M, Nepogodiev, S.A, Lawson, D.M, Angulo, J, Field, R.A. | | 登録日 | 2018-05-04 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Unravelling the Specificity of Laminaribiose Phosphorylase from Paenibacillus sp. YM-1 towards Donor Substrates Glucose/Mannose 1-Phosphate by Using X-ray Crystallography and Saturation Transfer Difference NMR Spectroscopy.
Chembiochem, 20, 2019
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7SMG
 | | Crystal structure of a (p)ppApp hydrolase from Bacteroides caccae | | 分子名称: | (p)ppApp hydrolase, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Ahmad, S, Alexei, A.G, Tsang, K.K, Trilesky, S, Kim, Y, Whitney, J.C. | | 登録日 | 2021-10-25 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification of a broadly conserved family of enzymes that hydrolyze (p)ppApp.
Proc.Natl.Acad.Sci.USA, 120, 2023
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3NMQ
 | | Hsp90b N-terminal domain in complex with EC44, a pyrrolo-pyrimidine methoxypyridine inhibitor | | 分子名称: | 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol, Heat shock protein HSP 90-beta | | 著者 | Arndt, J.W, Yun, T.J, Harning, E.K, Giza, K, Rabah, D, Li, P, Luchetti, D, Shi, J, Manning, A, Kehry, M.R. | | 登録日 | 2010-06-22 | | 公開日 | 2010-12-22 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | EC144, a Synthetic Inhibitor of Heat Shock Protein 90, Blocks Innate and Adaptive Immune Responses in Models of Inflammation and Autoimmunity.
J.Immunol., 186, 2011
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5HX1
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8OX9
 | | Cryo-EM structure of ATP8B1-CDC50A in E2P active conformation with bound PC | | 分子名称: | (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P. | | 登録日 | 2023-05-01 | | 公開日 | 2023-11-29 | | 実験手法 | ELECTRON MICROSCOPY (2.72 Å) | | 主引用文献 | Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
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6TLR
 | | HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,7-DIBROMOBENZOTRIAZOLE | | 分子名称: | 4,7-bis(bromanyl)-1~{H}-benzotriazole, CHLORIDE ION, Casein kinase II subunit alpha, ... | | 著者 | Czapinska, H, Piasecka, A, Winiewska-Szajewska, M, Bochtler, M, Poznanski, J. | | 登録日 | 2019-12-03 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.64 Å) | | 主引用文献 | Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
J.Phys.Chem.B, 125, 2021
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4U3T
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