1SPH
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6MZZ
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![BU of 6mzz by Molmil](/molmil-images/mine/6mzz) | Fluoroacetate dehalogenase, room temperature structure, using first 1 degree of total 3 degree oscillation | 分子名称: | CALCIUM ION, Fluoroacetate dehalogenase | 著者 | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | 登録日 | 2018-11-06 | 公開日 | 2019-03-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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6N02
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![BU of 6n02 by Molmil](/molmil-images/mine/6n02) | CO-bound Sperm Whale Myoglobin, room temperature structure, first 2 degrees of 5 degree total oscillation | 分子名称: | CARBON MONOXIDE, Myoglobin, CO-bound, ... | 著者 | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | 登録日 | 2018-11-06 | 公開日 | 2019-03-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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6N3N
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![BU of 6n3n by Molmil](/molmil-images/mine/6n3n) | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | 分子名称: | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 | 著者 | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | 登録日 | 2018-11-15 | 公開日 | 2019-10-09 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode. Acs Med.Chem.Lett., 10, 2019
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5Y0B
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![BU of 5y0b by Molmil](/molmil-images/mine/5y0b) | PIG GASTRIC H+,K+ - ATPASE IN COMPLEX with BYK99 | 分子名称: | Potassium-transporting ATPase alpha chain 1, Potassium-transporting ATPase subunit beta | 著者 | Abe, K, Shimokawa, J, Natio, M, Munson, K, Vagin, O, Sachs, G, Suzuki, H, Tani, K, Fujiyoshi, Y. | 登録日 | 2017-07-16 | 公開日 | 2017-08-09 | 実験手法 | ELECTRON CRYSTALLOGRAPHY (6.7 Å) | 主引用文献 | The cryo-EM structure of gastric H(+),K(+)-ATPase with bound BYK99, a high-affinity member of K(+)-competitive, imidazo[1,2-a]pyridine inhibitors Sci Rep, 7, 2017
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6MUH
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![BU of 6muh by Molmil](/molmil-images/mine/6muh) | Fluoroacetate dehalogenase, room temperature structure solved by serial 1 degree oscillation crystallography | 分子名称: | Fluoroacetate dehalogenase | 著者 | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | 登録日 | 2018-10-23 | 公開日 | 2019-03-27 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Fixed-target serial oscillation crystallography at room temperature. IUCrJ, 6, 2019
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6N3O
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![BU of 6n3o by Molmil](/molmil-images/mine/6n3o) | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | 分子名称: | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide, eIF-2-alpha kinase GCN2 | 著者 | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | 登録日 | 2018-11-15 | 公開日 | 2019-10-09 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode. Acs Med.Chem.Lett., 10, 2019
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6N7M
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![BU of 6n7m by Molmil](/molmil-images/mine/6n7m) | 1.78 Angstrom Resolution Crystal Structure of Hypothetical Protein CD630_05490 from Clostridioides difficile 630. | 分子名称: | Hypothetical Protein CD630_05490 | 著者 | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Dubrovska, I, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-11-27 | 公開日 | 2018-12-12 | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | 主引用文献 | 1.78 Angstrom Resolution Crystal Structure of Hypothetical Protein CD630_05490 from Clostridioides difficile 630. To Be Published
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6N9E
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![BU of 6n9e by Molmil](/molmil-images/mine/6n9e) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with a short substrate mimic CC-Pmn and bound to mRNA and P-site tRNA at 3.7A resolution | 分子名称: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S19, ... | 著者 | Melnikov, S.V, Khabibullina, N.F, Mairhofer, E, Vargas-Rodriguez, O, Reynolds, N.M, Micura, R, Soll, D, Polikanov, Y.S. | 登録日 | 2018-12-03 | 公開日 | 2018-12-12 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Mechanistic insights into the slow peptide bond formation with D-amino acids in the ribosomal active site. Nucleic Acids Res., 47, 2019
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6N9F
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![BU of 6n9f by Molmil](/molmil-images/mine/6n9f) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with a short substrate mimic ACCA-DPhe and bound to mRNA and P-site tRNA at 3.7A resolution | 分子名称: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S19, ... | 著者 | Melnikov, S.V, Khabibullina, N.F, Mairhofer, E, Vargas-Rodriguez, O, Reynolds, N.M, Micura, R, Soll, D, Polikanov, Y.S. | 登録日 | 2018-12-03 | 公開日 | 2018-12-12 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | Mechanistic insights into the slow peptide bond formation with D-amino acids in the ribosomal active site. Nucleic Acids Res., 47, 2019
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6NXJ
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![BU of 6nxj by Molmil](/molmil-images/mine/6nxj) | Flavin Transferase ApbE from Vibrio cholerae, H257G mutant | 分子名称: | FAD:protein FMN transferase, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION | 著者 | Osipiuk, J, Fang, X, Chakravarthy, S, Juarez, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2019-02-08 | 公開日 | 2019-03-13 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | 主引用文献 | Conserved residue His-257 ofVibrio choleraeflavin transferase ApbE plays a critical role in substrate binding and catalysis. J.Biol.Chem., 294, 2019
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5ZLH
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![BU of 5zlh by Molmil](/molmil-images/mine/5zlh) | Crystal structure of Mn-ProtoporphyrinIX-reconstituted P450BM3 | 分子名称: | Bifunctional cytochrome P450/NADPH--P450 reductase, MANGANESE PROTOPORPHYRIN IX | 著者 | Omura, K, Aiba, Y, Onoda, H, Sugimoto, H, Shoji, O, Watanabe, Y. | 登録日 | 2018-03-28 | 公開日 | 2018-08-15 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Reconstitution of full-length P450BM3 with an artificial metal complex by utilising the transpeptidase Sortase A. Chem. Commun. (Camb.), 54, 2018
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6O02
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6NDI
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![BU of 6ndi by Molmil](/molmil-images/mine/6ndi) | Crystal Structure of the Sugar Binding Domain of LacI Family Protein from Klebsiella pneumoniae | 分子名称: | Transcriptional regulator | 著者 | Minasov, G, Shuvalova, L, Wawrzak, Z, Kiryukhina, O, Dubrovska, I, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2018-12-13 | 公開日 | 2018-12-26 | 最終更新日 | 2023-06-14 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae. Microbiol Resour Announc, 12, 2023
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1QME
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![BU of 1qme by Molmil](/molmil-images/mine/1qme) | PENICILLIN-BINDING PROTEIN 2X (PBP-2X) | 分子名称: | PENICILLIN-BINDING PROTEIN 2X, SULFATE ION | 著者 | Gordon, E.J, Mouz, N, Duee, E, Dideberg, O. | 登録日 | 1999-09-28 | 公開日 | 2000-05-25 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | The Crystal Structure of the Penicillin-Binding Protein 2X from Streptococcus Pneumoniae and its Acyl-Enzyme Form: Implication in Drug Resistance. J.Mol.Biol., 299, 2000
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1QMF
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![BU of 1qmf by Molmil](/molmil-images/mine/1qmf) | PENICILLIN-BINDING PROTEIN 2X (PBP-2X) ACYL-ENZYME COMPLEX | 分子名称: | 2-[CARBOXY-(2-FURAN-2-YL-2-METHOXYIMINO-ACETYLAMINO)-METHYL]-5-METHYL-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, CEFUROXIME (OCT-3-ENE FORM), PENICILLIN-BINDING PROTEIN 2X | 著者 | Gordon, E.J, Mouz, N, Duee, E, Dideberg, O. | 登録日 | 1999-09-28 | 公開日 | 2000-05-25 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | The Crystal Structure of the Penicillin Binding Protein 2X from Streptococcus Pneumoniae and its Acyl-Enzyme Form: Implication in Drug Resistance J.Mol.Biol., 299, 2000
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5ZIH
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![BU of 5zih by Molmil](/molmil-images/mine/5zih) | Crystal structure of the red light-activated channelrhodopsin Chrimson. | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Sensory opsin A,Chrimson | 著者 | Oda, K, Vierock, J, Oishi, S, Taniguchi, R, Yamashita, K, Nishizawa, T, Hegemann, P, Nureki, O. | 登録日 | 2018-03-15 | 公開日 | 2018-11-21 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of the red light-activated channelrhodopsin Chrimson. Nat Commun, 9, 2018
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6NXI
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![BU of 6nxi by Molmil](/molmil-images/mine/6nxi) | Flavin Transferase ApbE from Vibrio cholerae | 分子名称: | 1,2-ETHANEDIOL, FAD:protein FMN transferase, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Osipiuk, J, Fang, X, Chakravarthy, S, Juarez, O, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | 登録日 | 2019-02-08 | 公開日 | 2019-03-13 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | 主引用文献 | Conserved residue His-257 ofVibrio choleraeflavin transferase ApbE plays a critical role in substrate binding and catalysis. J.Biol.Chem., 294, 2019
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6O03
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6NZ0
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![BU of 6nz0 by Molmil](/molmil-images/mine/6nz0) | Cryo-EM structure of AAV-2 in complex with AAVR PKD domains 1 and 2 | 分子名称: | Capsid protein VP1, Dyslexia-associated protein KIAA0319-like protein, MAGNESIUM ION | 著者 | Meyer, N.L, Xie, Q, Davulcu, O, Yoshioka, C, Chapman, M.S. | 登録日 | 2019-02-12 | 公開日 | 2019-06-12 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (2.4 Å) | 主引用文献 | Structure of the gene therapy vector, adeno-associated virus with its cell receptor, AAVR. Elife, 8, 2019
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6O5V
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![BU of 6o5v by Molmil](/molmil-images/mine/6o5v) | Binary complex of native hAChE with oxime reactivator RS-170B | 分子名称: | 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium, Acetylcholinesterase, GLYCEROL, ... | 著者 | Gerlits, O, Kovalevsky, A, Radic, Z. | 登録日 | 2019-03-04 | 公開日 | 2019-05-29 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.152 Å) | 主引用文献 | Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase. J.Biol.Chem., 294, 2019
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5DPX
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![BU of 5dpx by Molmil](/molmil-images/mine/5dpx) | 1,2,4-Triazole-3-thione compounds as inhibitors of L1, di-zinc metallo-beta-lactamases. | 分子名称: | 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione, Metallo-beta-lactamase L1 type 3, SULFATE ION, ... | 著者 | Nauton, L, Garau, G, Khan, R, Dideberg, O. | 登録日 | 2015-09-14 | 公開日 | 2017-01-11 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | 1,2,4-Triazole-3-thione Compounds as Inhibitors of Dizinc Metallo-beta-lactamases. ChemMedChem, 12, 2017
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6O66
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1REI
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![BU of 1rei by Molmil](/molmil-images/mine/1rei) | THE MOLECULAR STRUCTURE OF A DIMER COMPOSED OF THE VARIABLE PORTIONS OF THE BENCE-JONES PROTEIN REI REFINED AT 2.0 ANGSTROMS RESOLUTION | 分子名称: | BENCE-JONES PROTEIN REI (LIGHT CHAIN) | 著者 | Epp, O, Lattman, E.E, Colman, P, Fehlhammer, H, Bode, W, Schiffer, M, Huber, R, Palm, W. | 登録日 | 1976-03-17 | 公開日 | 1976-05-19 | 最終更新日 | 2017-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The molecular structure of a dimer composed of the variable portions of the Bence-Jones protein REI refined at 2.0-A resolution. Biochemistry, 14, 1975
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6OEY
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![BU of 6oey by Molmil](/molmil-images/mine/6oey) | Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-5-{5-[1-(Pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ... | 著者 | Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F. | 登録日 | 2019-03-28 | 公開日 | 2019-07-31 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase. Chemistry, 25, 2019
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