8PCG
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![BU of 8pcg by Molmil](/molmil-images/mine/8pcg) | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 2000 ms | 分子名称: | BORATE ION, Beta-lactamase, SULFATE ION | 著者 | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | 登録日 | 2023-06-11 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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8PCV
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![BU of 8pcv by Molmil](/molmil-images/mine/8pcv) | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 10000 ms | 分子名称: | BORATE ION, Beta-lactamase, SULFATE ION, ... | 著者 | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | 登録日 | 2023-06-11 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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8PCS
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![BU of 8pcs by Molmil](/molmil-images/mine/8pcs) | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 1250 ms | 分子名称: | BORATE ION, Beta-lactamase, SULFATE ION, ... | 著者 | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | 登録日 | 2023-06-11 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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8PCO
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![BU of 8pco by Molmil](/molmil-images/mine/8pco) | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 150 ms | 分子名称: | BORATE ION, Beta-lactamase, SULFATE ION, ... | 著者 | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | 登録日 | 2023-06-11 | 公開日 | 2024-06-26 | 最終更新日 | 2024-07-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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5H35
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![BU of 5h35 by Molmil](/molmil-images/mine/5h35) | Crystal structures of the TRIC trimeric intracellular cation channel orthologue from Sulfolobus solfataricus | 分子名称: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Fab Heavy Chain, Fab Light Chain, ... | 著者 | Kasuya, G, Hiraizumi, M, Hattori, M, Nureki, O. | 登録日 | 2016-10-20 | 公開日 | 2017-01-11 | 最終更新日 | 2020-02-26 | 実験手法 | X-RAY DIFFRACTION (2.642 Å) | 主引用文献 | Crystal structures of the TRIC trimeric intracellular cation channel orthologues Cell Res., 26, 2016
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3N4C
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![BU of 3n4c by Molmil](/molmil-images/mine/3n4c) | 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors | 分子名称: | (E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine, Cathepsin S, DIMETHYL SULFOXIDE, ... | 著者 | Fradera, X, Uitdehaag, J.C.M, van Zeeland, M. | 登録日 | 2010-05-21 | 公開日 | 2011-04-06 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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1EJ2
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![BU of 1ej2 by Molmil](/molmil-images/mine/1ej2) | Crystal structure of methanobacterium thermoautotrophicum nicotinamide mononucleotide adenylyltransferase with bound NAD+ | 分子名称: | NICOTINAMIDE MONONUCLEOTIDE ADENYLYLTRANSFERASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | 著者 | Saridakis, V, Christendat, D, Kimber, M.S, Edwards, A.M, Pai, E.F, Midwest Center for Structural Genomics (MCSG), Northeast Structural Genomics Consortium (NESG) | 登録日 | 2000-02-29 | 公開日 | 2001-03-14 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Insights into ligand binding and catalysis of a central step in NAD+ synthesis: structures of Methanobacterium thermoautotrophicum NMN adenylyltransferase complexes. J.Biol.Chem., 276, 2001
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5G5W
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![BU of 5g5w by Molmil](/molmil-images/mine/5g5w) | Structure guided design and discovery of Indazole ethers as highly potent, non-steroidal Glucocorticoid receptor modulators | 分子名称: | 1,2-ETHANEDIOL, 2,2,2-trifluoro-N-[(1R,2S)-1-{[1-(4-fluorophenyl)-1H-indazol-5-yl]oxy}-1-phenylpropan-2-yl]acetamide, GLUCOCORTICOID RECEPTOR, ... | 著者 | Hemmerling, M, Edman, K, Lepisto, M, Eriksson, A, Ivanova, S, Dahmen, J, Rehwinkel, H, Berger, M, Hendrickx, R, Dearman, M, Jellesmark-Jensen, T, Wissler, L, Hansson, T. | 登録日 | 2016-06-08 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Discovery of Indazole Ethers as Novel, Potent, Non-Steroidal Glucocorticoid Receptor Modulators. Bioorg.Med.Chem.Lett., 26, 2017
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2CWM
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![BU of 2cwm by Molmil](/molmil-images/mine/2cwm) | Native Crystal Structure of NO releasing inductive lectin from seeds of the Canavalia maritima (ConM) | 分子名称: | CALCIUM ION, MANGANESE (II) ION, lectin | 著者 | Cavada, B.S, De Azevedo Jr, W.F, Assreuy, A.M.S, Criddle, D.N, Gadelha, C.A.A, Delatorre, P, Souza, E.P, Rocha, B.A.M, Santi-Gadelha, T, Moreno, F.B.M.B. | 登録日 | 2005-06-22 | 公開日 | 2006-01-17 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Native crystal structure of a nitric oxide-releasing lectin from the seeds of Canavalia maritima J.Struct.Biol., 152, 2005
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5G2N
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![BU of 5g2n by Molmil](/molmil-images/mine/5g2n) | X-ray structure of PI3Kinase Gamma in complex with Copanlisib | 分子名称: | 2-azanyl-~{N}-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | 著者 | Schaefer, M, Scott, W.J, Hentemann, M.F, Rowley, R.B, Bull, C.O, Jenkins, S, Bullion, A.M, Johnson, J, Redman, A, Robbins, A.H, Esler, W, Fracasso, R.P, Garrison, T, Hamilton, M, Michels, M, Wood, J.E, Wilkie, D.P, Xiao, H, Levy, J, Liu, N, Stasik, E, Brands, M, Lefranc, J. | 登録日 | 2016-04-11 | 公開日 | 2016-04-20 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Discovery and Sar of Novel 2,3-Dihydroimidazo(1,2-C)Quinazoline Pi3K Inhibitors: Identification of Copanlisib (Bay 80-6946) Chemmedchem, 11, 2016
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5V2H
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![BU of 5v2h by Molmil](/molmil-images/mine/5v2h) | RNA octamer containing glycol nucleic acid, SgnT | 分子名称: | COBALT HEXAMMINE(III), MAGNESIUM ION, RNA (5'-R(*(CBV)P*GP*AP*AP*(ZTH)P*UP*CP*G)-3') | 著者 | Harp, J.M, Egli, M. | 登録日 | 2017-03-04 | 公開日 | 2017-06-14 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (1.080013 Å) | 主引用文献 | Chirality Dependent Potency Enhancement and Structural Impact of Glycol Nucleic Acid Modification on siRNA. J. Am. Chem. Soc., 139, 2017
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6DXH
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![BU of 6dxh by Molmil](/molmil-images/mine/6dxh) | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 4-(4-tert-butylphenyl)-4-oxobutanoate | 分子名称: | 4-(4-tert-butylphenyl)-4-oxobutanoic acid, UNKNOWN ATOM OR ION, Ubiquitin carboxyl-terminal hydrolase 5, ... | 著者 | Harding, R.J, Mann, M.K, Ravichandran, M, Ferreira de Freitas, R, Franzoni, I, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Schapira, M, Structural Genomics Consortium (SGC) | 登録日 | 2018-06-28 | 公開日 | 2018-07-18 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain. J.Med.Chem., 62, 2019
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6DXT
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![BU of 6dxt by Molmil](/molmil-images/mine/6dxt) | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate | 分子名称: | 1,2-ETHANEDIOL, 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid, UNKNOWN ATOM OR ION, ... | 著者 | Mann, M.K, Harding, R.J, Ravichandran, M, Ferreira de Freitas, R, Franzoni, I, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Schapira, M, Structural Genomics Consortium (SGC) | 登録日 | 2018-06-29 | 公開日 | 2018-08-08 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain. J.Med.Chem., 62, 2019
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5VAM
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![BU of 5vam by Molmil](/molmil-images/mine/5vam) | BRAF in Complex with RAF709 | 分子名称: | N-{2-methyl-5'-(morpholin-4-yl)-6'-[(oxan-4-yl)oxy][3,3'-bipyridin]-5-yl}-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | 著者 | Mamo, M, Appleton, B.A. | 登録日 | 2017-03-27 | 公開日 | 2017-06-28 | 最終更新日 | 2024-03-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Design and Discovery of N-(2-Methyl-5'-morpholino-6'-((tetrahydro-2H-pyran-4-yl)oxy)-[3,3'-bipyridin]-5-yl)-3-(trifluoromethyl)benzamide (RAF709): A Potent, Selective, and Efficacious RAF Inhibitor Targeting RAS Mutant Cancers. J. Med. Chem., 60, 2017
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3N8E
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![BU of 3n8e by Molmil](/molmil-images/mine/3n8e) | Substrate binding domain of the human Heat Shock 70kDa protein 9 (mortalin) | 分子名称: | Stress-70 protein, mitochondrial | 著者 | Wisniewska, M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, van der Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | 登録日 | 2010-05-28 | 公開日 | 2010-06-16 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Substrate binding domain of the human Heat Shock 70kDa protein 9 (mortalin) To be published
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5VAL
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![BU of 5val by Molmil](/molmil-images/mine/5val) | |
2GQN
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![BU of 2gqn by Molmil](/molmil-images/mine/2gqn) | |
3N50
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![BU of 3n50 by Molmil](/molmil-images/mine/3n50) | Human Early B-cell factor 3 (EBF3) IPT/TIG and HLHLH domains | 分子名称: | Transcription factor COE3 | 著者 | Lehtio, L, Siponen, M.I, Arrowsmith, C.H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schuler, H, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Berglund, H, Structural Genomics Consortium (SGC) | 登録日 | 2010-05-24 | 公開日 | 2010-06-16 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (3.102 Å) | 主引用文献 | Structural Determination of Functional Domains in Early B-cell Factor (EBF) Family of Transcription Factors Reveals Similarities to Rel DNA-binding Proteins and a Novel Dimerization Motif. J.Biol.Chem., 285, 2010
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5H0Q
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![BU of 5h0q by Molmil](/molmil-images/mine/5h0q) | Crystal structure of lipid binding protein Nakanori at 1.5A | 分子名称: | Lipid binding protein | 著者 | Makino, A, Abe, M, Ishitsuka, R, Murate, M, Kishimoto, T, Sakai, S, Hullin-Matsuda, F, Shimada, Y, Inaba, T, Miyatake, H, Tanaka, H, Kurahashi, A, Pack, C.G, Kasai, R.S, Kubo, S, Schieber, N.L, Dohmae, N, Tochio, N, Hagiwara, K, Sasaki, Y, Aida, Y, Fujimori, F, Kigawa, T, Nishikori, K, Parton, R.G, Kusumi, A, Sako, Y, Anderluh, G, Yamashita, M, Kobayashi, T, Greimel, P, Kobayashi, T. | 登録日 | 2016-10-06 | 公開日 | 2016-10-19 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.501 Å) | 主引用文献 | A novel sphingomyelin/cholesterol domain-specific probe reveals the dynamics of the membrane domains during virus release and in Niemann-Pick type C FASEB J., 31, 2017
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1B8C
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![BU of 1b8c by Molmil](/molmil-images/mine/1b8c) | PARVALBUMIN | 分子名称: | MAGNESIUM ION, PROTEIN (PARVALBUMIN) | 著者 | Cates, M.S, Berry, M.B, Ho, E.L, Li, Q, Potter, J.D, Phillips Jr, G.N. | 登録日 | 1999-01-29 | 公開日 | 1999-02-02 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Metal-ion affinity and specificity in EF-hand proteins: coordination geometry and domain plasticity in parvalbumin. Structure Fold.Des., 7, 1999
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5WR7
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![BU of 5wr7 by Molmil](/molmil-images/mine/5wr7) | Crystal structure of Trk-A complexed with a selective inhibitor CH7057288 | 分子名称: | High affinity nerve growth factor receptor, N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide | 著者 | Tanaka, H, Blaesse, M, Augustin, M, Goesser, C. | 登録日 | 2016-11-30 | 公開日 | 2017-12-06 | 最終更新日 | 2018-12-19 | 実験手法 | X-RAY DIFFRACTION (2.76 Å) | 主引用文献 | Selective TRK Inhibitor CH7057288 against TRK Fusion-Driven Cancer. Mol. Cancer Ther., 17, 2018
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6HVJ
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![BU of 6hvj by Molmil](/molmil-images/mine/6hvj) | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 3 | 分子名称: | 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, 8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine, ... | 著者 | Banaszak, K, Pawlik, H, Bialas, A, Fabritius, C.H, Nowak, M. | 登録日 | 2018-10-11 | 公開日 | 2018-11-14 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Discovery and Structure-Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors. ChemMedChem, 14, 2019
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3L0R
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![BU of 3l0r by Molmil](/molmil-images/mine/3l0r) | Crystal Structure of Salivary Cystatin from the Soft Tick Ornithodoros moubata | 分子名称: | CHLORIDE ION, Cystatin-2, GLYCEROL | 著者 | Rezacova, P, Brynda, J, Andersen, J.F, Salat, J, Kovarova, Z, Mares, M. | 登録日 | 2009-12-10 | 公開日 | 2010-06-30 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Crystal structure and functional characterization of an immunomodulatory salivary cystatin from the soft tick Ornithodoros moubata Biochem.J., 429, 2010
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5WRB
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![BU of 5wrb by Molmil](/molmil-images/mine/5wrb) | Crystal structure of hen egg-white lysozyme | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | 著者 | Sugahara, M, Suzuki, M, Masuda, T, Inoue, S, Nango, E. | 登録日 | 2016-12-01 | 公開日 | 2017-12-20 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (2.013 Å) | 主引用文献 | Hydroxyethyl cellulose matrix applied to serial crystallography Sci Rep, 7, 2017
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6IBZ
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![BU of 6ibz by Molmil](/molmil-images/mine/6ibz) | Human PFKFB3 in complex with a N-Aryl 6-Aminoquinoxaline inhibitor 7 | 分子名称: | 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3, ... | 著者 | Banaszak, K, Tomczyk, M, Guzik, P, Fabritius, C.H, Nowak, M. | 登録日 | 2018-12-01 | 公開日 | 2019-01-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Synthesis of amide and sulfonamide substituted N-aryl 6-aminoquinoxalines as PFKFB3 inhibitors with improved physicochemical properties. Bioorg. Med. Chem. Lett., 29, 2019
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