3VGG
 
 | | Crystal structure of glycosyltrehalose trehalohydrolase (E283Q) complexed with maltoheptaose | | Descriptor: | CITRATE ANION, GLYCEROL, Malto-oligosyltrehalose trehalohydrolase, ... | | Authors: | Okazaki, N, Tamada, T, Feese, M.D, Kato, M, Miura, Y, Komeda, T, Kobayashi, K, Kondo, K, Kuroki, R. | | Deposit date: | 2011-08-09 | | Release date: | 2012-06-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.66 Å) | | Cite: | Substrate recognition mechanism of a glycosyltrehalose trehalohydrolase from Sulfolobus solfataricus KM1.
Protein Sci., 21, 2012
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2ZCC
 | | Ubiquitin crystallized under high pressure | | Descriptor: | Ubiquitin, ZINC ION | | Authors: | Kitahara, R, Tanaka, T, Yamashita, M, Araya, K, Yokoyama, S, Akasaka, K, Taniguchi, Y, Kato, M. | | Deposit date: | 2007-11-08 | | Release date: | 2007-11-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of Ubiquitin crystallized under high pressure
to be published
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3ANM
 | | Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with 5-phenylpyridin-2-ylmethylphosphonic acid | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [(5-phenylpyridin-2-yl)methyl]phosphonic acid | | Authors: | Endo, K, Kato, M, Deng, L, Song, Y, Yajima, S. | | Deposit date: | 2010-09-03 | | Release date: | 2011-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase/Lipophilic Phosphonate Complexes
ACS Med Chem Lett, 2, 2011
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3ANN
 | | Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with quinolin-2-ylmethylphosphonic acid | | Descriptor: | (quinolin-2-ylmethyl)phosphonic acid, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Endo, K, Kato, M, Deng, L, Song, Y, Yajima, S. | | Deposit date: | 2010-09-03 | | Release date: | 2011-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase/Lipophilic Phosphonate Complexes
ACS Med Chem Lett, 2, 2011
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3ANL
 | | Crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) complexed with pyridin-2-ylmethylphosphonic acid | | Descriptor: | (pyridin-2-ylmethyl)phosphonic acid, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Endo, K, Kato, M, Deng, L, Song, Y, Yajima, S. | | Deposit date: | 2010-09-03 | | Release date: | 2011-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase/Lipophilic Phosphonate Complexes
ACS Med Chem Lett, 2, 2011
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1WRI
 | | Crystal Structure of Ferredoxin isoform II from E. arvense | | Descriptor: | BENZAMIDINE, FE2/S2 (INORGANIC) CLUSTER, Ferredoxin II | | Authors: | Kurisu, G, Nishiyama, D, Kusunoki, M, Fujikawa, S, Katoh, M, Hanke, G.T, Hase, T, Teshima, K. | | Deposit date: | 2004-10-18 | | Release date: | 2004-11-02 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | A structural basis of Equisetum arvense ferredoxin isoform II producing an alternative electron transfer with ferredoxin-NADP+ reductase.
J.Biol.Chem., 280, 2005
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5WE8
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1MPG
 | | 3-METHYLADENINE DNA GLYCOSYLASE II FROM ESCHERICHIA COLI | | Descriptor: | 3-METHYLADENINE DNA GLYCOSYLASE II, GLYCEROL | | Authors: | Labahn, J, Schaerer, O.D, Long, A, Ezaz-Nikpay, K, Verdine, G.L, Ellenberger, T.E. | | Deposit date: | 1997-10-28 | | Release date: | 1998-01-28 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for the excision repair of alkylation-damaged DNA.
Cell(Cambridge,Mass.), 86, 1996
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8IG0
 | | Crystal structure of menin in complex with DS-1594b | | Descriptor: | (1R,2S,4R)-4-[[4-(5,6-dimethoxypyridazin-3-yl)phenyl]methylamino]-2-[methyl-[6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-ol, DIMETHYL SULFOXIDE, Menin, ... | | Authors: | Suzuki, M, Yoneyama, T, Imai, E. | | Deposit date: | 2023-02-20 | | Release date: | 2023-03-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A novel Menin-MLL1 inhibitor, DS-1594a, prevents the progression of acute leukemia with rearranged MLL1 or mutated NPM1.
Cancer Cell Int, 23, 2023
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6MD9
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6MDA
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6MD7
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8X38
 | | Crystal Structure of Decarboxylative Vanillate 1-Hydroxylase from Phanerochaete chrysosporium | | Descriptor: | ACETATE ION, Decarboxylative Vanillate 1-Hydroxylase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Suzuki, H, Mori, R, Ishida, T, Igarashi, K, Shimizu, M. | | Deposit date: | 2023-11-12 | | Release date: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Decarboxylative Vanillate 1-Hydroxylase from Phanerochaete chrysosporium
To Be Published
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8U37
 | | Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with NVP-CJL037 at 2.48-A resolution | | Descriptor: | (6M)-3-amino-N-{4-[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]pyridin-3-yl}-6-[3-(trifluoromethoxy)pyridin-2-yl]pyrazine-2-carboxamide, MAGNESIUM ION, Protein kinase C alpha type | | Authors: | Romanowski, M.J, Lam, J, Visser, M. | | Deposit date: | 2023-09-07 | | Release date: | 2024-01-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma.
J.Med.Chem., 67, 2024
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8UAK
 | | Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with Darovasertib (NVP-LXS196) at 2.82-A resolution | | Descriptor: | (6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide, Protein kinase C alpha type | | Authors: | Romanowski, M.J, Lam, J, Visser, M. | | Deposit date: | 2023-09-21 | | Release date: | 2024-01-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma.
J.Med.Chem., 67, 2024
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5JTD
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5JQ2
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7JVM
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3WRV
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3WRW
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5TF9
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3VSX
 | | Human renin in complex with compound 18 | | Descriptor: | (2S,4S,5S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-4-hydroxy-2-(propan-2-yl)hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2012-05-11 | | Release date: | 2012-07-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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6MDD
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6MDC
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 1 SHP389 | | Descriptor: | 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Fodor, M, Stams, T. | | Deposit date: | 2018-09-04 | | Release date: | 2019-02-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
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6MDB
 | | Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 5 | | Descriptor: | 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Fodor, M, Stams, T. | | Deposit date: | 2018-09-04 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | 6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
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