PDB: 225399 件ウェブページステータス検索Chemie searchBIRD

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5YJ8	Identification of a small molecule inhibitor for the Tudor domain of TDRD3 分子名称: 5-(aminomethyl)-1,3-dimethyl-benzimidazol-2-one, SULFATE ION, Tudor domain-containing protein 3 著者 Liu, J, Ruan, K. 登録日 2017-10-09 公開日 2018-05-02 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.762 Å) 主引用文献 Structural plasticity of the TDRD3 Tudor domain probed by a fragment screening hit. FEBS J., 285, 2018
6OS6	Crystal structure of CymD prenyltransferase complexed with L-tryptophan and DMSPP 分子名称: BENZOIC ACID, CHLORIDE ION, CymD prenyltransferase, ... 著者 Roose, B.W, Christianson, D.W. 登録日 2019-05-01 公開日 2019-07-17 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.33 Å) 主引用文献 Structural Basis of Tryptophan Reverse N-Prenylation Catalyzed by CymD. Biochemistry, 58, 2019
5YQB	Crystal structure of E.coli aminopeptidase N in complex with Puromycin 分子名称: (2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)-9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO-3-FURANOL, Aminopeptidase N, GLYCEROL, ... 著者 Marapaka, A.K, Ganji, R.J, Reddi, R, Addlagatta, A. 登録日 2017-11-06 公開日 2018-11-14 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.56 Å) 主引用文献 Puromycin, a selective inhibitor of PSA acts as a substrate for other M1 family aminopeptidases: Biochemical and structural basis Int.J.Biol.Macromol., 165, 2020
5YQX	Crystal Structure Analysis of the BRD4 分子名称: (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... 著者 Xue, X, Zhang, Y, Wang, C, Song, M. 登録日 2017-11-08 公開日 2018-11-28 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer. Eur.J.Med.Chem., 152, 2018
5YR5	Human methionine aminopeptidase type 1b (F309L mutant) in complex with Ovalicin 分子名称: 3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -OXIRANYL]-CYCLOHEXANONE, COBALT (II) ION, Methionine aminopeptidase 1, ... 著者 Pillalamarri, V, Arya, T, Addlagatta, A. 登録日 2017-11-08 公開日 2018-11-14 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Discovery of natural product ovalicin sensitive type 1 methionine aminopeptidases: molecular and structural basis. Biochem. J., 476, 2019
8OQ7	CryoEM structure of human rho1 GABAA receptor in complex with inhibitor TPMPA 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ... 著者 Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. 登録日 2023-04-11 公開日 2023-08-30 最終更新日 2024-02-07 実験手法 ELECTRON MICROSCOPY (2.2 Å) 主引用文献 Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor. Neuron, 111, 2023
6SGP	X-ray structure of human glutamate carboxypeptidase II (GCPII) - the E424M inactive mutant, in complex with a sulfamide inhibitor GluGlu 分子名称: (2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Barinka, C, Shukla, S, Motlova, L. 登録日 2019-08-05 公開日 2020-08-26 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors. J.Chem.Inf.Model., 2024
5XZM	CATPO mutant - V228I 分子名称: CALCIUM ION, CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, Catalase, ... 著者 Yuzugullu Karakus, Y, Balci, S, Goc, G, Pearson, A.R, Yorke, B. 登録日 2017-07-12 公開日 2018-07-18 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.41 Å) 主引用文献 CATPO mutant - V228I To Be Published
8OTM	structure of InhA from mycobacterium tuberculosis in complex with N-((1-(3-hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide 分子名称: 1,2-ETHANEDIOL, 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide, ACETATE ION, ... 著者 Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L. 登録日 2023-04-21 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA. Eur.J.Med.Chem., 259, 2023
8OQA	CryoEM structure of human rho1 GABAA receptor in complex with GABA and picrotoxin 分子名称: (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... 著者 Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. 登録日 2023-04-11 公開日 2023-08-30 最終更新日 2024-02-07 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor. Neuron, 111, 2023
5Y5I	Time-resolved SFX structure of cytochrome P450nor: 20 ms after photo-irradiation of caged NO in the presence of NADH (NO-bound state), light data 分子名称: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ... 著者 Tosha, T, Nomura, T, Nishida, T, Saeki, N, Okubayashi, K, Yamagiwa, R, Sugahara, M, Nakane, T, Yamashita, K, Hirata, K, Ueno, G, Kimura, T, Hisano, T, Muramoto, K, Sawai, H, Takeda, H, Mizohata, E, Yamashita, A, Kanematsu, Y, Takano, Y, Nango, E, Tanaka, R, Nureki, O, Ikemoto, Y, Murakami, H, Owada, S, Tono, K, Yabashi, M, Yamamoto, M, Ago, H, Iwata, S, Sugimoto, H, Shiro, Y, Kubo, M. 登録日 2017-08-09 公開日 2017-12-06 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Capturing an initial intermediate during the P450nor enzymatic reaction using time-resolved XFEL crystallography and caged-substrate. Nat Commun, 8, 2017
5Y2E	Crystal structure of the oligomerization domain of NSP4 from the rotavirus strain NCDV 分子名称: Non-structural glycoprotein 4 著者 Suguna, K, Kumar, S. 登録日 2017-07-25 公開日 2018-03-14 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 New tetrameric forms of the rotavirus NSP4 with antiparallel helices. Arch. Virol., 163, 2018
5Y3X	Crystal structure of endo-1,4-beta-xylanase from Caldicellulosiruptor owensensis 分子名称: Beta-xylanase 著者 Liu, X, Sun, L.C, Zhang, Y.B, Liu, T.F, Xin, F.J. 登録日 2017-07-31 公開日 2017-12-27 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural Insights into the Thermophilic Adaption Mechanism of Endo-1,4-beta-Xylanase from Caldicellulosiruptor owensensis. J. Agric. Food Chem., 66, 2018
8OQ8	CryoEM structure of human rho1 GABAA receptor in complex with pore blocker picrotoxin 分子名称: (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ... 著者 Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. 登録日 2023-04-11 公開日 2023-08-30 最終更新日 2024-02-07 実験手法 ELECTRON MICROSCOPY (2.9 Å) 主引用文献 Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor. Neuron, 111, 2023
5YHJ	Cytochrome P450EX alpha (CYP152N1) wild-type with myristic acid 分子名称: Cytochrome P450, MYRISTIC ACID, PROTOPORPHYRIN IX CONTAINING FE 著者 Onoda, H, Shoji, O, Suzuki, K, Sugimoto, H, Shiro, Y, Watanabe, Y. 登録日 2017-09-28 公開日 2017-12-06 最終更新日 2024-03-27 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Alpha-Oxidative Decarboxylation of Fatty Acids Catalysed by Cytochrome P450 Peroxygenases Yielding Shorter-Alkyl-Chain Fatty Acids Catalysis Science And Technology, 2017
8OTN	structure of InhA from mycobacterium tuberculosis in complex with inhibitor 7-((1-(3-Hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methyl-2H-chromen-2-one 分子名称: 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE 著者 Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L. 登録日 2023-04-21 公開日 2023-08-16 実験手法 X-RAY DIFFRACTION (1.962 Å) 主引用文献 Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA. Eur.J.Med.Chem., 259, 2023
5YI8	Crystal structure of drosophila Numb PTB domain and Pon peptide complex 分子名称: FORMIC ACID, Pon peptide from Partner of numb, Protein numb 著者 Shan, Z, Wen, W. 登録日 2017-10-03 公開日 2018-04-18 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.001 Å) 主引用文献 Basal condensation of Numb and Pon complex via phase transition during Drosophila neuroblast asymmetric division. Nat Commun, 9, 2018
5YIQ	Crystal structure of AnkG LIR/LC3B complex 分子名称: Ankyrin-3, Microtubule-associated proteins 1A/1B light chain 3B, ZINC ION 著者 Li, J, Zhu, R, Chen, K, Zheng, H, Yuan, C, Zhang, H, Wang, C, Zhang, M. 登録日 2017-10-06 公開日 2018-05-23 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Potent and specific Atg8-targeting autophagy inhibitory peptides from giant ankyrins. Nat. Chem. Biol., 14, 2018
8OP9	CryoEM structure of human rho1 GABAA receptor in complex with GABA 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GAMMA-AMINO-BUTANOIC ACID, ... 著者 Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. 登録日 2023-04-06 公開日 2023-08-30 最終更新日 2024-02-07 実験手法 ELECTRON MICROSCOPY (3.36 Å) 主引用文献 Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor. Neuron, 111, 2023
6XRV	X-ray structure of the monoclinic crystal form at 1.43 A resolution of lipase from Thermomyces (Humicola) lanuginosa at 173 K 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate, CALCIUM ION, ... 著者 McPherson, A. 登録日 2020-07-13 公開日 2020-10-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 The crystal Structures of Thermomyces (Humicola) lanuginosa lipase in complex with enzymatic reactants Current Enzyme Inhibition, 16, 2020
8RH9	CryoEM structure of human rho1 GABAA receptor in complex with pregnenolone sulfate 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ... 著者 Chen, F, John, C, Rebecca, J.H, Erik, L. 登録日 2023-12-15 公開日 2024-08-28 実験手法 ELECTRON MICROSCOPY (3.21 Å) 主引用文献 Divergent mechanisms of steroid inhibition in the human rho1 GABAA receptor Nat Commun, 2024
6ONJ	Crystal structure of PPARgamma ligand binding domain in complex with TRAP220 peptide and agonist rosiglitazone 分子名称: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Mediator of RNA polymerase II transcription subunit 1, ... 著者 Shang, J, Kojetin, D.J. 登録日 2019-04-22 公開日 2020-03-04 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 A molecular switch regulating transcriptional repression and activation of PPAR gamma. Nat Commun, 11, 2020
8RH7	CryoEM structure of human rho1 GABAA receptor in complex with GABA and estradiol in primed state 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ESTRADIOL, ... 著者 Chen, F, John, C, Rebecca, J.H, Erik, L. 登録日 2023-12-15 公開日 2024-08-28 実験手法 ELECTRON MICROSCOPY (2.78 Å) 主引用文献 Divergent mechanisms of steroid inhibition in the human rho1 GABAA receptor Nat Commun, 2024
8B7H	Crystal structure of human Gremlin-1 in complex with Fab 分子名称: Fab antibody fragment (heavy chain), Fab antibody fragment (light chain), Gremlin-1 著者 Schulze, M.-S, Martinez-Fleites, C. 登録日 2022-09-30 公開日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Discovery of ginisortamab, a potent and novel anti-gremlin-1 antibody in clinical development for the treatment of cancer. Mabs, 15, 2023
8RH8	CryoEM structure of human rho1 GABAA receptor in complex with GABA and estradiol in desensitized state 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GAMMA-AMINO-BUTANOIC ACID, ... 著者 Chen, F, John, C, Rebecca, J.H, Erik, L. 登録日 2023-12-15 公開日 2024-08-28 実験手法 ELECTRON MICROSCOPY (2.66 Å) 主引用文献 Divergent mechanisms of steroid inhibition in the human rho1 GABAA receptor Nat Commun, 2024

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