1QHU
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![BU of 1qhu by Molmil](/molmil-images/mine/1qhu) | MAMMALIAN BLOOD SERUM HAEMOPEXIN DEGLYCOSYLATED AND IN COMPLEX WITH ITS LIGAND HAEM | 分子名称: | CHLORIDE ION, PHOSPHATE ION, PROTEIN (HEMOPEXIN), ... | 著者 | Paoli, M, Baker, H.M, Morgan, W.T, Smith, A, Baker, E.N. | 登録日 | 1999-05-27 | 公開日 | 1999-10-06 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal structure of hemopexin reveals a novel high-affinity heme site formed between two beta-propeller domains. Nat.Struct.Biol., 6, 1999
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1QJS
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![BU of 1qjs by Molmil](/molmil-images/mine/1qjs) | mammalian blood serum haemopexin glycosylated-native protein and in complex with its ligand haem | 分子名称: | CHLORIDE ION, HEMOPEXIN, PHOSPHATE ION, ... | 著者 | Paoli, M, Baker, H.M, Morgan, W.T, Smith, A, Baker, E.N. | 登録日 | 1999-07-01 | 公開日 | 2000-02-03 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Crystal Structure of Hemopexin Reveals a Novel High-Affinity Heme Site Formed between Two Beta-Propeller Domains. Nat.Struct.Biol., 6, 1999
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5MZ3
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![BU of 5mz3 by Molmil](/molmil-images/mine/5mz3) | P38 ALPHA MUTANT C162S IN COMPLEX WITH CMPD2 [N-(4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(trifluoromethyl)benzamide] | 分子名称: | Mitogen-activated protein kinase 14, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide | 著者 | Cowan-Jacob, S.W, Scheufler, C. | 登録日 | 2017-01-30 | 公開日 | 2017-11-15 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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6B8U
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![BU of 6b8u by Molmil](/molmil-images/mine/6b8u) | Crystals Structure of B-Raf kinase domain in complex with an Imidazopyridinyl benzamide inhibitor | 分子名称: | Serine/threonine-protein kinase B-raf, ~{N}-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide | 著者 | Appleton, B.A, Murray, J, Shafer, C.M. | 登録日 | 2017-10-09 | 公開日 | 2017-11-22 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Imidazo[1,2-a]pyridin-6-yl-benzamide analogs as potent RAF inhibitors. Bioorg. Med. Chem. Lett., 27, 2017
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2GD8
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![BU of 2gd8 by Molmil](/molmil-images/mine/2gd8) | Crystal structure analysis of the human carbonic anhydrase II in complex with a 2-substituted estradiol bis-sulfamate | 分子名称: | (9BETA,13ALPHA,14BETA,17ALPHA)-2-METHOXYESTRA-1,3,5(10)-TRIENE-3,17-DIYL DISULFAMATE, CHLORIDE ION, Carbonic anhydrase 2, ... | 著者 | De Simone, G, Di Fiore, A. | 登録日 | 2006-03-15 | 公開日 | 2007-02-06 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | 主引用文献 | 2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity. J.Med.Chem., 49, 2006
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3C7P
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![BU of 3c7p by Molmil](/molmil-images/mine/3c7p) | Crystal structure of human carbonic anhydrase II in complex with STX237 | 分子名称: | (4aS,4bR,10bS,12aS)-12a-methyl-1,3-dioxo-2-(pyridin-3-ylmethyl)-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydronaphtho[2,1-f]isoquinolin-8-yl sulfamate, CHLORIDE ION, Carbonic anhydrase 2, ... | 著者 | Di Fiore, A, De Simone, G. | 登録日 | 2008-02-08 | 公開日 | 2009-01-13 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Anticancer steroid sulfatase inhibitors: synthesis of a potent fluorinated second-generation agent, in vitro and in vivo activities, molecular modeling, and protein crystallography Mol.Cancer Ther., 7, 2008
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4FCS
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![BU of 4fcs by Molmil](/molmil-images/mine/4fcs) | The crystal structures of several mutants of pleurotus eryngii versatile peroxidase | 分子名称: | CALCIUM ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Mate, M.J, Romero, A, Ruiz-Duenas, F.J, Martinez, A.T. | 登録日 | 2012-05-25 | 公開日 | 2012-10-24 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Two Oxidation Sites for Low Redox Potential Substrates: A DIRECTED MUTAGENESIS, KINETIC, AND CRYSTALLOGRAPHIC STUDY ON PLEUROTUS ERYNGII VERSATILE PEROXIDASE. J.Biol.Chem., 287, 2012
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4FCN
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![BU of 4fcn by Molmil](/molmil-images/mine/4fcn) | The crystal structures of several mutants of pleurotus eryngii versatile peroxidase | 分子名称: | CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | 著者 | Mate, M.J, Romero, A, Ruiz-Duenas, F.J, Martinez, A.T. | 登録日 | 2012-05-25 | 公開日 | 2012-10-24 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Two Oxidation Sites for Low Redox Potential Substrates: A DIRECTED MUTAGENESIS, KINETIC, AND CRYSTALLOGRAPHIC STUDY ON PLEUROTUS ERYNGII VERSATILE PEROXIDASE. J.Biol.Chem., 287, 2012
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8EB9
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![BU of 8eb9 by Molmil](/molmil-images/mine/8eb9) | |
8EBB
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![BU of 8ebb by Molmil](/molmil-images/mine/8ebb) | |
7T6A
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![BU of 7t6a by Molmil](/molmil-images/mine/7t6a) | Crystal structure of Avr1 (SIX4) from Fusarium oxysporum f. sp. lycopersici | 分子名称: | Avr1 (FolSIX4), Avirulence protein 1, Avr1 (SIX4), ... | 著者 | Yu, D.S, Outram, M.A, Ericsson, D.J, Jones, D.A, Williams, S.J. | 登録日 | 2021-12-13 | 公開日 | 2023-01-11 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies Elife, 2023
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7T69
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![BU of 7t69 by Molmil](/molmil-images/mine/7t69) | Crystal structure of Avr3 (SIX1) from Fusarium oxysporum f. sp. lycopersici | 分子名称: | Avr3 (SIX1), Secreted in xylem 1, SULFATE ION | 著者 | Yu, D.S, Outram, M.A, Ericsson, D.J, Jones, D.A, Williams, S.J. | 登録日 | 2021-12-13 | 公開日 | 2023-01-11 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.68 Å) | 主引用文献 | The structural repertoire of Fusarium oxysporum f. sp. lycopersici effectors revealed by experimental and computational studies Elife, 2023
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6N0Q
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![BU of 6n0q by Molmil](/molmil-images/mine/6n0q) | BRAF in complex with N-(4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)phenyl)-3-(trifluoromethyl)benzamide. | 分子名称: | N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide, Serine/threonine-protein kinase B-raf | 著者 | Mamo, M, Appleton, B.A. | 登録日 | 2018-11-07 | 公開日 | 2019-10-23 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | 主引用文献 | Design and Discovery ofN-(3-(2-(2-Hydroxyethoxy)-6-morpholinopyridin-4-yl)-4-methylphenyl)-2-(trifluoromethyl)isonicotinamide, a Selective, Efficacious, and Well-Tolerated RAF Inhibitor Targeting RAS Mutant Cancers: The Path to the Clinic. J.Med.Chem., 63, 2020
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6N0P
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![BU of 6n0p by Molmil](/molmil-images/mine/6n0p) | |
7M7V
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![BU of 7m7v by Molmil](/molmil-images/mine/7m7v) | |
8AQ9
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![BU of 8aq9 by Molmil](/molmil-images/mine/8aq9) | |
8AP5
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![BU of 8ap5 by Molmil](/molmil-images/mine/8ap5) | |
1IHO
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![BU of 1iho by Molmil](/molmil-images/mine/1iho) | CRYSTAL APO-STRUCTURE OF PANTOTHENATE SYNTHETASE FROM E. COLI | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PANTOATE--BETA-ALANINE LIGASE | 著者 | von Delft, F, Lewendon, A, Dhanaraj, V, Blundell, T.L, Abell, C, Smith, A. | 登録日 | 2001-04-19 | 公開日 | 2001-05-30 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The crystal structure of E. coli pantothenate synthetase confirms it as a member of the cytidylyltransferase superfamily. Structure, 9, 2001
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2FJP
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![BU of 2fjp by Molmil](/molmil-images/mine/2fjp) | Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor | 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, 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM, ... | 著者 | Scapin, G, Patel, S.B, Becker, J.W. | 登録日 | 2006-01-03 | 公開日 | 2006-07-04 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | (2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]- pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. J.Med.Chem., 49, 2006
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1HXN
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![BU of 1hxn by Molmil](/molmil-images/mine/1hxn) | |
6VU4
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![BU of 6vu4 by Molmil](/molmil-images/mine/6vu4) | Structure of a beta-hairpin peptide mimic derived from Abeta 14-36 | 分子名称: | Beta-hairpin Amyloid-beta precursor peptide mimic, CHLORIDE ION, IODIDE ION | 著者 | Wierzbicki, M, Kreutzer, A, Samdin, T, Nowick, J.S. | 登録日 | 2020-02-14 | 公開日 | 2020-06-17 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.077 Å) | 主引用文献 | Effects of N-Terminal Residues on the Assembly of Constrained beta-Hairpin Peptides Derived from A beta. J.Am.Chem.Soc., 142, 2020
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5VAL
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![BU of 5val by Molmil](/molmil-images/mine/5val) | |
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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3TJP
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![BU of 3tjp by Molmil](/molmil-images/mine/3tjp) | Crystal Structure of PI3K gamma with N6-(3,4-dimethoxyphenyl)-2-morpholino-[4,5'-bipyrimidine]-2',6-diamine | 分子名称: | N~6~-(3,4-dimethoxyphenyl)-2-(morpholin-4-yl)-4,5'-bipyrimidine-2',6-diamine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | 著者 | Knapp, M.S, Elling, R.A, Ornelas, E. | 登録日 | 2011-08-24 | 公開日 | 2012-08-29 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | The Identification of 5-(2,4-dimorpholinopyrimidin-6-yl)-4-(trifluoromethyl)pyridin-2-amine (NVP-BKM120) as a Potent, Selective and Orally Bioavailable Class I PI3 Kinase Inhibitor for the Treatment of Cancer To be Published
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4G05
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![BU of 4g05 by Molmil](/molmil-images/mine/4g05) | The crystal structures of several mutants of Pleurotus eryngii versatile peroxidase | 分子名称: | CALCIUM ION, Guaiacol, PROTOPORPHYRIN IX CONTAINING FE, ... | 著者 | Mate, M.J, Romero, A, Ruiz-Duenas, F.J, Martinez, A.T. | 登録日 | 2012-07-09 | 公開日 | 2012-10-24 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Two Oxidation Sites for Low Redox Potential Substrates: A DIRECTED MUTAGENESIS, KINETIC, AND CRYSTALLOGRAPHIC STUDY ON PLEUROTUS ERYNGII VERSATILE PEROXIDASE. J.Biol.Chem., 287, 2012
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