6QL6
 
 | | Structure of Fatty acid synthase complex from Saccharomyces cerevisiae at 2.9 Angstrom | | 分子名称: | FLAVIN MONONUCLEOTIDE, Fatty acid synthase subunit alpha, Fatty acid synthase subunit beta, ... | | 著者 | Singh, K, Graf, B, Linden, A, Sautner, V, Urlaub, H, Tittmann, K, Stark, H, Chari, A. | | 登録日 | 2019-01-31 | | 公開日 | 2020-03-18 | | 最終更新日 | 2020-04-08 | | 実験手法 | ELECTRON MICROSCOPY (2.9 Å) | | 主引用文献 | Discovery of a Regulatory Subunit of the Yeast Fatty Acid Synthase.
Cell, 180, 2020
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6ULA
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5MWD
 | | Crystal structure of the BCL6 BTB-domain with compound 2 | | 分子名称: | 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one, B-cell lymphoma 6 protein | | 著者 | Bader, G, Flotzinger, G, Weiss-Puxbaum, A, Zoephel, A. | | 登録日 | 2017-01-18 | | 公開日 | 2017-10-04 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6.
Cell Rep, 20, 2017
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7UMK
 | | Structure of vesicular stomatitis virus (helical reconstruction, 4.1 A resolution) | | 分子名称: | Matrix protein, Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*UP*UP*UP*U)-3') | | 著者 | Jenni, S, Horwitz, J.A, Bloyet, L.-M, Whelan, S.P.J, Harrison, S.C. | | 登録日 | 2022-04-07 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-02-14 | | 実験手法 | ELECTRON MICROSCOPY (4.1 Å) | | 主引用文献 | Visualizing molecular interactions that determine assembly of a bullet-shaped vesicular stomatitis virus particle.
Nat Commun, 13, 2022
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6UJM
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5MNA
 | | Cationic trypsin in complex with aniline (deuterated sample at 295 K) | | 分子名称: | ANILINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Schiebel, J, Heine, A, Klebe, G. | | 登録日 | 2016-12-13 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.441 Å) | | 主引用文献 | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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6SZE
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5MNG
 | | Cationic trypsin in complex with benzamidine (deuterated sample at 100 K) | | 分子名称: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Schiebel, J, Heine, A, Klebe, G. | | 登録日 | 2016-12-13 | | 公開日 | 2018-01-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (0.86 Å) | | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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6QGH
 | | Structure of human Bcl-2 in complex with ABT-263 | | 分子名称: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | 登録日 | 2019-01-11 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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8VU6
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6QGJ
 | | Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid | | 分子名称: | 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | | 著者 | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | | 登録日 | 2019-01-11 | | 公開日 | 2019-06-12 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1.
Acs Omega, 4, 2019
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6UGP
 | | Human Carbonic Anhydrase 2 complexed with SB4-206 | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase 2, ... | | 著者 | Murray, A.B, Lomelino, C.L, McKenna, R. | | 登録日 | 2019-09-26 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.306 Å) | | 主引用文献 | "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII.
J.Med.Chem., 63, 2020
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5M5Z
 | | Chaetomium thermophilum beta-1-3-glucanase | | 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, Beta-1,3-glucanase, ... | | 著者 | Papageorgiou, A.C, Chen, J, Li, D. | | 登録日 | 2016-10-23 | | 公開日 | 2017-05-17 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | | 主引用文献 | Crystal structure and biological implications of a glycoside hydrolase family 55 beta-1,3-glucanase from Chaetomium thermophilum.
Biochim. Biophys. Acta, 1865, 2017
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8VJ7
 | | GluA2 bound to GYKI-52466 and Glutamate, Inhibited State 2 | | 分子名称: | 4-[(5S,8R)-8-methyl-6,7,8,9-tetrahydro-2H,5H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl]aniline, GLUTAMIC ACID, Isoform Flip of Glutamate receptor 2 | | 著者 | Hale, W.D, Montano Romero, A, Huganir, R.L, Twomey, E.C. | | 登録日 | 2024-01-05 | | 公開日 | 2024-06-05 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (4.85 Å) | | 主引用文献 | Allosteric competition and inhibition in AMPA receptors.
Nat.Struct.Mol.Biol., 2024
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6XTT
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8RFM
 | | Human NOQ1 enzyme in complex with NADH by serial crystallography | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L. | | 登録日 | 2023-12-13 | | 公開日 | 2024-05-29 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.
Protein Sci., 33, 2024
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5MOS
 | | Joint X-ray/neutron structure of cationic trypsin in complex with N-amidinopiperidine | | 分子名称: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | | 著者 | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | 登録日 | 2016-12-14 | | 公開日 | 2018-02-28 | | 最終更新日 | 2024-05-01 | | 実験手法 | NEUTRON DIFFRACTION (0.96 Å), X-RAY DIFFRACTION | | 主引用文献 | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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6XZS
 | | Crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((4-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | | 分子名称: | 1-[2-[(4-fluorophenyl)methylamino]ethyl]-3-(4-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | | 著者 | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, F, Supuran, C.T. | | 登録日 | 2020-02-05 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.53 Å) | | 主引用文献 | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
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6UKC
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6XZY
 | | crystal structure of human carbonic anhydrase I in complex with 4-(3-(2-((2-fluorobenzyl)amino)ethyl)ureido) benzenesulfonamide | | 分子名称: | 1-[2-[(2-fluorophenyl)methylamino]ethyl]-3-(3-sulfamoylphenyl)urea, Carbonic anhydrase 1, ZINC ION | | 著者 | Zanotti, G, Majid, A, Bozdag, M, Angeli, A, Carta, F, Berto, P, Supuran, C. | | 登録日 | 2020-02-05 | | 公開日 | 2020-09-23 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Benzylaminoethyureido-Tailed Benzenesulfonamides: Design, Synthesis, Kinetic and X-ray Investigations on Human Carbonic Anhydrases.
Int J Mol Sci, 21, 2020
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8EA4
 | | V-K CAST Transpososome from Scytonema hofmanni, minor configuration | | 分子名称: | 30S ribosomal protein S15, ADENOSINE-5'-TRIPHOSPHATE, Cas12k, ... | | 著者 | Rizo, A.R, Park, J.-U, Tsai, A.W, Kellogg, E.K. | | 登録日 | 2022-08-27 | | 公開日 | 2022-11-30 | | 最終更新日 | 2024-06-19 | | 実験手法 | ELECTRON MICROSCOPY (3 Å) | | 主引用文献 | Structures of the holo CRISPR RNA-guided transposon integration complex.
Nature, 613, 2023
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5GAD
 | | RNC-SRP-SR complex early state | | 分子名称: | 1A9L SS, 23S rRNA, 50S ribosomal protein L10, ... | | 著者 | Jomaa, A, Boehringer, D, Leibundgut, M, Ban, N. | | 登録日 | 2015-11-24 | | 公開日 | 2016-01-27 | | 最終更新日 | 2019-12-11 | | 実験手法 | ELECTRON MICROSCOPY (3.7 Å) | | 主引用文献 | Structures of the E. coli translating ribosome with SRP and its receptor and with the translocon.
Nat Commun, 7, 2016
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8VE9
 | | IsPETase - ACCCETN mutant - CombiPETase | | 分子名称: | CHLORIDE ION, GLYCEROL, Poly(ethylene terephthalate) hydrolase | | 著者 | Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C. | | 登録日 | 2023-12-18 | | 公開日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
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6O2Y
 | | Crystal structure of IDH1 R132H mutant in complex with compound 24 | | 分子名称: | 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile, BETA-MERCAPTOETHANOL, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | 著者 | Toms, A.V, Lin, J. | | 登録日 | 2019-02-25 | | 公開日 | 2019-06-26 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors.
J.Med.Chem., 62, 2019
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6SMA
 | | Crystal structure of Human Neutrophil Elastase (HNE) in complex with the 3-Oxo-beta-Sultam inhibitor LMC249 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid, ... | | 著者 | Brito, J.A, Almeida, V.T, Carvalho, L.M, Moreira, R, Archer, M. | | 登録日 | 2019-08-21 | | 公開日 | 2020-04-08 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | 3-Oxo-beta-sultam as a Sulfonylating Chemotype for Inhibition of Serine Hydrolases and Activity-Based Protein Profiling.
Acs Chem.Biol., 15, 2020
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