4PB5
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![BU of 4pb5 by Molmil](/molmil-images/mine/4pb5) | D-threo-3-hydroxyaspartate dehydratase H351A mutant complexed with L-erythro-3-hydroxyaspartate | Descriptor: | (3R)-3-hydroxy-L-aspartic acid, D-threo-3-hydroxyaspartate dehydratase, GLYCEROL, ... | Authors: | Yasutake, Y, Matsumoto, Y, Wada, M. | Deposit date: | 2014-04-11 | Release date: | 2015-03-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insights into the substrate stereospecificity of D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23: a useful enzyme for the synthesis of optically pure L-threo- and D-erythro-3-hydroxyaspartate. Appl.Microbiol.Biotechnol., 99, 2015
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4PB3
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![BU of 4pb3 by Molmil](/molmil-images/mine/4pb3) | D-threo-3-hydroxyaspartate dehydratase H351A mutant | Descriptor: | D-threo-3-hydroxyaspartate dehydratase, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE | Authors: | Yasutake, Y, Matsumoto, Y, Wada, M. | Deposit date: | 2014-04-11 | Release date: | 2015-03-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insights into the substrate stereospecificity of D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23: a useful enzyme for the synthesis of optically pure L-threo- and D-erythro-3-hydroxyaspartate. Appl.Microbiol.Biotechnol., 99, 2015
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4PB4
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![BU of 4pb4 by Molmil](/molmil-images/mine/4pb4) | D-threo-3-hydroxyaspartate dehydratase H351A mutant complexed with 2-amino maleic acid | Descriptor: | 2-amino maleic acid, D-threo-3-hydroxyaspartate dehydratase, MAGNESIUM ION, ... | Authors: | Yasutake, Y, Matsumoto, Y, Wada, M. | Deposit date: | 2014-04-11 | Release date: | 2015-03-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into the substrate stereospecificity of D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23: a useful enzyme for the synthesis of optically pure L-threo- and D-erythro-3-hydroxyaspartate. Appl.Microbiol.Biotechnol., 99, 2015
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1IY8
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![BU of 1iy8 by Molmil](/molmil-images/mine/1iy8) | Crystal Structure of Levodione Reductase | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, LEVODIONE REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Sogabe, S, Fukami, T, Shiratori, Y, Yoshizumi, A, Wada, M. | Deposit date: | 2002-07-25 | Release date: | 2003-05-27 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure and Stereospecificity of Levodione Reductase from Corynebacterium aquaticum M-13 J.BIOL.CHEM., 278, 2003
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3WQD
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![BU of 3wqd by Molmil](/molmil-images/mine/3wqd) | D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23 complexed with D-erythro-3-hydroxyaspartate | Descriptor: | (3S)-3-hydroxy-D-aspartic acid, D-threo-3-hydroxyaspartate dehydratase, MAGNESIUM ION, ... | Authors: | Yasutake, Y, Matsumoto, Y, Wada, M. | Deposit date: | 2014-01-25 | Release date: | 2015-01-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insights into the substrate stereospecificity of D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23: a useful enzyme for the synthesis of optically pure L-threo- and D-erythro-3-hydroxyaspartate Appl.Microbiol.Biotechnol., 99, 2015
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3WQE
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![BU of 3wqe by Molmil](/molmil-images/mine/3wqe) | D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23 complexed with D-allothreonine | Descriptor: | D-allothreonine, D-threo-3-hydroxyaspartate dehydratase, MAGNESIUM ION, ... | Authors: | Yasutake, Y, Matsumoto, Y, Wada, M. | Deposit date: | 2014-01-25 | Release date: | 2015-01-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the substrate stereospecificity of D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23: a useful enzyme for the synthesis of optically pure L-threo- and D-erythro-3-hydroxyaspartate Appl.Microbiol.Biotechnol., 99, 2015
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3WQC
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![BU of 3wqc by Molmil](/molmil-images/mine/3wqc) | D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23 | Descriptor: | CHLORIDE ION, D-threo-3-hydroxyaspartate dehydratase, GLYCEROL, ... | Authors: | Yasutake, Y, Matsumoto, Y, Wada, M. | Deposit date: | 2014-01-25 | Release date: | 2015-01-28 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural insights into the substrate stereospecificity of D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23: a useful enzyme for the synthesis of optically pure L-threo- and D-erythro-3-hydroxyaspartate Appl.Microbiol.Biotechnol., 99, 2015
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3WQF
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![BU of 3wqf by Molmil](/molmil-images/mine/3wqf) | |
3WQG
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![BU of 3wqg by Molmil](/molmil-images/mine/3wqg) | D-threo-3-hydroxyaspartate dehydratase C353A mutant in the metal-free form | Descriptor: | D-threo-3-hydroxyaspartate dehydratase, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE | Authors: | Yasutake, Y, Matsumoto, Y, Wada, M. | Deposit date: | 2014-01-25 | Release date: | 2015-01-28 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural insights into the substrate stereospecificity of D-threo-3-hydroxyaspartate dehydratase from Delftia sp. HT23: a useful enzyme for the synthesis of optically pure L-threo- and D-erythro-3-hydroxyaspartate Appl.Microbiol.Biotechnol., 99, 2015
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7ATU
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![BU of 7atu by Molmil](/molmil-images/mine/7atu) | The LIMK1 Kinase Domain Bound To LIJTF500025 | Descriptor: | (S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide, LIM domain kinase 1 | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Yamamoto, S, Tawada, M, Nomura, I, Takagi, T, Ahmed, M, Little, W, Mueller-Knapp, S, Knapp, S. | Deposit date: | 2020-10-30 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The LIMK1 Kinase Domain Bound To LIJTF500025 To Be Published
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5ZV2
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![BU of 5zv2 by Molmil](/molmil-images/mine/5zv2) | FGFR-1 in complex with ligand lenvatinib | Descriptor: | 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide, Fibroblast growth factor receptor 1 | Authors: | Matsuki, M, Hoshi, T, Yamamoto, Y, Ikemori-Kawada, M, Minoshima, Y, Funahashi, Y, Matsui, J. | Deposit date: | 2018-05-09 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Lenvatinib inhibits angiogenesis and tumor fibroblast growth factor signaling pathways in human hepatocellular carcinoma models. Cancer Med, 7, 2018
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3WZE
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![BU of 3wze by Molmil](/molmil-images/mine/3wze) | KDR in complex with ligand sorafenib | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, ACETATE ION, ... | Authors: | Okamoto, K, Ikemori_Kawada, M, Inoue, A, Matsui, J. | Deposit date: | 2014-09-24 | Release date: | 2015-05-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Distinct binding mode of multikinase inhibitor lenvatinib revealed by biochemical characterization. ACS MED.CHEM.LETT., 6, 2015
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3WZD
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![BU of 3wzd by Molmil](/molmil-images/mine/3wzd) | KDR in complex with ligand lenvatinib | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxamide, ... | Authors: | Okamoto, K, Ikemori_Kawada, M, Inoue, A, Matsui, J. | Deposit date: | 2014-09-24 | Release date: | 2015-05-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Distinct binding mode of multikinase inhibitor lenvatinib revealed by biochemical characterization. ACS MED.CHEM.LETT., 6, 2015
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1D7N
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![BU of 1d7n by Molmil](/molmil-images/mine/1d7n) | SOLUTION STRUCTURE ANALYSIS OF THE MASTOPARAN WITH DETERGENTS | Descriptor: | PROTEIN (WASP VENOM PEPTIDE (MASTOPARAN)) | Authors: | Hori, Y, Demura, M, Iwadate, M, Niidome, T, Aoyagi, H, Asakura, T. | Deposit date: | 1999-10-19 | Release date: | 2001-06-20 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Interaction of mastoparan with membranes studied by 1H-NMR spectroscopy in detergent micelles and by solid-state 2H-NMR and 15N-NMR spectroscopy in oriented lipid bilayers. Eur.J.Biochem., 268, 2001
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7ATS
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![BU of 7ats by Molmil](/molmil-images/mine/7ats) | The LIMK1 Kinase Domain Bound To LIJTF500127 | Descriptor: | LIM domain kinase 1, N-[3-[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Yamamoto, S, Tawada, M, Nomura, I, Takagi, T, Ahmed, M, Little, W, Mueller-Knapp, S, Knapp, S. | Deposit date: | 2020-10-30 | Release date: | 2020-11-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The LIMK1 Kinase Domain Bound To LIJTF500127 To Be Published
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3VW8
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![BU of 3vw8 by Molmil](/molmil-images/mine/3vw8) | Crystal structure of human c-Met kinase domain with its inhibitor | Descriptor: | CHLORIDE ION, Hepatocyte growth factor receptor, N-({4-[(6,7-dimethoxyquinolin-4-yl)oxy]phenyl}carbamothioyl)-2-phenylacetamide | Authors: | Matsumoto, S, Miyamoto, N, Hirayama, T, Oki, H, Okada, K, Tawada, M, Iwata, H, Miki, H, Nakamura, K, Hori, A, Imamura, S. | Deposit date: | 2012-08-08 | Release date: | 2013-08-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design, synthesis, and evaluation of imidazo[1,2-b]pyridazine and imidazo[1,2-a]pyridine derivatives as novel dual c-Met and VEGFR2 kinase inhibitors. Bioorg.Med.Chem., 21, 2013
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3VHK
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![BU of 3vhk by Molmil](/molmil-images/mine/3vhk) | Crystal structure of the VEGFR2 kinase domain in complex with a back pocket binder | Descriptor: | 1,2-ETHANEDIOL, Vascular endothelial growth factor receptor 2, {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol | Authors: | Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H. | Deposit date: | 2011-08-25 | Release date: | 2012-09-05 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases. ACS MED.CHEM.LETT., 3, 2012
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3VID
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![BU of 3vid by Molmil](/molmil-images/mine/3vid) | Crystal structure of human VEGFR2 kinase domain with Compound A. | Descriptor: | 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole, Vascular endothelial growth factor receptor 2 | Authors: | Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H. | Deposit date: | 2011-09-29 | Release date: | 2012-08-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases. ACS MED.CHEM.LETT., 3, 2012
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5T4S
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![BU of 5t4s by Molmil](/molmil-images/mine/5t4s) | Novel Approach of Fragment-Based Lead Discovery applied to Renin Inhibitors | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-chloro-N-[(furan-2-yl)methyl]pyrazin-2-amine, ... | Authors: | Snell, G.P, Behnke, C.A, Okada, K, Oki, H, Sang, B.C, Lane, W. | Deposit date: | 2016-08-30 | Release date: | 2016-10-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Novel approach of fragment-based lead discovery applied to renin inhibitors. Bioorg.Med.Chem., 24, 2016
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7K41
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![BU of 7k41 by Molmil](/molmil-images/mine/7k41) | Bacterial O-GlcNAcase (OGA) with compound | Descriptor: | 1,2-ETHANEDIOL, 4-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)pyrimidin-2-amine, ACETATE ION, ... | Authors: | Lane, W, Tjhen, R, Snell, G, Sang, B. | Deposit date: | 2020-09-14 | Release date: | 2021-01-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of a Novel and Brain-Penetrant O -GlcNAcase Inhibitor via Virtual Screening, Structure-Based Analysis, and Rational Lead Optimization. J.Med.Chem., 64, 2021
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3E1Y
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![BU of 3e1y by Molmil](/molmil-images/mine/3e1y) | Crystal structure of human eRF1/eRF3 complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, Eukaryotic peptide chain release factor subunit 1 | Authors: | Cheng, Z, Lim, M, Kong, C, Song, H. | Deposit date: | 2008-08-05 | Release date: | 2009-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural insights into eRF3 and stop codon recognition by eRF1 Genes Dev., 23, 2009
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3E20
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![BU of 3e20 by Molmil](/molmil-images/mine/3e20) | Crystal structure of S.pombe eRF1/eRF3 complex | Descriptor: | Eukaryotic peptide chain release factor GTP-binding subunit, Eukaryotic peptide chain release factor subunit 1 | Authors: | Cheng, Z, Lim, M, Kong, C, Song, H. | Deposit date: | 2008-08-05 | Release date: | 2009-05-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structural insights into eRF3 and stop codon recognition by eRF1 Genes Dev., 23, 2009
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5B71
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![BU of 5b71 by Molmil](/molmil-images/mine/5b71) | Crystal structure of complement C5 in complex with SKY59 | Descriptor: | Complement C5 beta chain, SKY59 Fab heavy chain, SKY59 Fab light chain | Authors: | Irie, M, Shimizu, Y, Sampei, Z, Fukuzawa, T. | Deposit date: | 2016-06-03 | Release date: | 2017-05-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Long lasting neutralization of C5 by SKY59, a novel recycling antibody, is a potential therapy for complement-mediated diseases. Sci Rep, 7, 2017
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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 | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Fab Heavy Chain, Fab Light Chain, ... | Authors: | Kasuya, G, Hiraizumi, M, Hattori, M, Nureki, O. | Deposit date: | 2016-10-20 | Release date: | 2017-01-11 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (2.642 Å) | Cite: | Crystal structures of the TRIC trimeric intracellular cation channel orthologues Cell Res., 26, 2016
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5H36
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![BU of 5h36 by Molmil](/molmil-images/mine/5h36) | Crystal structures of the TRIC trimeric intracellular cation channel orthologue from Rhodobacter sphaeroides | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Uncharacterized protein TRIC | Authors: | Kasuya, G, Hiraizumi, M, Hattori, M, Nureki, O. | Deposit date: | 2016-10-20 | Release date: | 2017-01-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.409 Å) | Cite: | Crystal structures of the TRIC trimeric intracellular cation channel orthologues Cell Res., 26, 2016
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