4PF3
 
 | | Mineralocorticoid receptor ligand-binding domain with compuond 37a | | Descriptor: | 1,2-ETHANEDIOL, 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one, Mineralocorticoid receptor | | Authors: | Sogabe, S, Habuka, N. | | Deposit date: | 2014-04-28 | | Release date: | 2014-11-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists
Bioorg.Med.Chem., 22, 2014
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2EB2
 | | Crystal structure of mutated EGFR kinase domain (G719S) | | Descriptor: | Epidermal growth factor receptor | | Authors: | Yoshikawa, S, Kukimoto-Niino, M, Chen, L, Liu, Z.J, Wang, B.C, Shirouzu, M, Senba, K, Yamamoto, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-02-06 | | Release date: | 2008-02-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor
Oncogene, 2012
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2EB3
 | | Crystal structure of mutated EGFR kinase domain (L858R) in complex with AMPPNP | | Descriptor: | Epidermal growth factor receptor, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Yoshikawa, S, Kukimoto-Niino, M, Shirouzu, M, Senba, K, Yamamoto, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-02-06 | | Release date: | 2008-02-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Structural basis for the altered drug sensitivities of non-small cell lung cancer-associated mutants of human epidermal growth factor receptor
Oncogene, 2012
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7Y4P
 | | Human Plexin A1, extracellular domains 1-4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-A1 | | Authors: | Tanaka, T, Neyazaki, M, Nogi, T. | | Deposit date: | 2022-06-15 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Hybrid in vitro/in silico analysis of low-affinity protein-protein interactions that regulate signal transduction by Sema6D.
Protein Sci., 31, 2022
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7Y4O
 | | Rat Semaphorin 6D extracellular region | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Semaphorin 6D | | Authors: | Tanaka, T, Neyazaki, M, Nogi, T. | | Deposit date: | 2022-06-15 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Hybrid in vitro/in silico analysis of low-affinity protein-protein interactions that regulate signal transduction by Sema6D.
Protein Sci., 31, 2022
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7Y4Q
 | | Semaphorin 6D in complex with Plexin A1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-A1, ... | | Authors: | Tanaka, T, Neyazaki, M, Nogi, T. | | Deposit date: | 2022-06-16 | | Release date: | 2022-10-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (4.7 Å) | | Cite: | Hybrid in vitro/in silico analysis of low-affinity protein-protein interactions that regulate signal transduction by Sema6D.
Protein Sci., 31, 2022
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2E0A
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with AMPPNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Pyruvate dehydrogenase kinase isozyme 4 | | Authors: | Kukimoto-Niino, M, Tokmakov, A, Terada, T, Shiromizu, I, Kawamoto, M, Matsusue, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-10-03 | | Release date: | 2007-10-09 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Inhibitor-bound structures of human pyruvate dehydrogenase kinase 4.
Acta Crystallogr.,Sect.D, 67, 2011
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8WSM
 | | NLRP3 NACHT domain in complex with compound 32 | | Descriptor: | 2-[[2-methyl-5-(trifluoromethyl)phenyl]amino]-~{N}-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Akai, S, Orita, T, Adachi, T. | | Deposit date: | 2023-10-17 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of Novel NLRP3 Inflammasome Inhibitors Composed of an Oxazole Scaffold Bearing an Acylsulfamide.
Acs Med.Chem.Lett., 14, 2023
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1IPF
 | | TROPINONE REDUCTASE-II COMPLEXED WITH NADPH AND TROPINONE | | Descriptor: | 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TROPINONE REDUCTASE-II | | Authors: | Yamashita, A, Endo, M, Higashi, T, Nakatsu, T, Yamada, Y, Oda, J, Kato, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2001-05-09 | | Release date: | 2003-06-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Capturing Enzyme Structure Prior to Reaction Initiation: Tropinone Reductase-II-Substrate Complexes
BIOCHEMISTRY, 42, 2003
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8K5C
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8K5B
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8K5D
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4XFP
 | | Crystal Structure of Highly Active Mutant of Bacillus sp. TB-90 Urate Oxidase | | Descriptor: | 8-AZAXANTHINE, CHLORIDE ION, SULFATE ION, ... | | Authors: | Hibi, T, Hayashi, Y, Kawamura, A, Itoh, T. | | Deposit date: | 2014-12-28 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Glycine Substitution of Surface Proline 287 Involves Entropic Enhancement of Bacillus sp. TB-90 Uricase Activity
To be published
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1IPE
 | | TROPINONE REDUCTASE-II COMPLEXED WITH NADPH | | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TROPINONE REDUCTASE-II | | Authors: | Yamashita, A, Endo, M, Higashi, T, Nakatsu, T, Yamada, Y, Oda, J, Kato, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2001-05-09 | | Release date: | 2003-06-03 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Capturing Enzyme Structure Prior to Reaction Initiation: Tropinone Reductase-II-Substrate Complexes
BIOCHEMISTRY, 42, 2003
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1HSS
 | | 0.19 ALPHA-AMYLASE INHIBITOR FROM WHEAT | | Descriptor: | 0.19 ALPHA-AMYLASE INHIBITOR | | Authors: | Oda, Y, Fukuyama, K. | | Deposit date: | 1997-07-01 | | Release date: | 1998-07-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Tertiary and quaternary structures of 0.19 alpha-amylase inhibitor from wheat kernel determined by X-ray analysis at 2.06 A resolution.
Biochemistry, 36, 1997
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6FS8
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6FS6
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6FS9
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6FS7
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6FSB
 | | Influenza B/Memphis/13/03 endonuclease with I38T mutation | | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Cusack, S, Speranzini, V. | | Deposit date: | 2018-02-19 | | Release date: | 2018-07-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil.
Sci Rep, 8, 2018
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4BWQ
 | | Crystal structure of U5-15kD in a complex with PQBP1 | | Descriptor: | POLYGLUTAMINE-BINDING PROTEIN 1, THIOREDOXIN-LIKE PROTEIN 4A | | Authors: | Mizuguchi, M, Obita, T, Serita, T, Kojima, R, Morimoto, T, Nabeshima, Y, Okazawa, H. | | Deposit date: | 2013-07-04 | | Release date: | 2014-04-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mutations in the Pqbp1 Gene Prevent its Interaction with the Spliceosomal Protein U5-15Kd.
Nat.Commun., 5, 2014
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4BWS
 | | Crystal structure of the heterotrimer of PQBP1, U5-15kD and U5-52kD. | | Descriptor: | CD2 ANTIGEN CYTOPLASMIC TAIL-BINDING PROTEIN 2, POLYGLUTAMINE-BINDING PROTEIN 1, THIOREDOXIN-LIKE PROTEIN 4A | | Authors: | Mizuguchi, M, Obita, T, Serita, T, Kojima, R, Morimoto, T, Nabeshima, Y, Okazawa, H. | | Deposit date: | 2013-07-04 | | Release date: | 2014-04-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mutations in the Pqbp1 Gene Prevent its Interaction with the Spliceosomal Protein U5-15Kd.
Nat.Commun., 5, 2014
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8K4Z
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3O95
 | | Crystal Structure of Human DPP4 Bound to TAK-100 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yano, J.K, Aertgeerts, K. | | Deposit date: | 2010-08-03 | | Release date: | 2011-01-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Discovery of a 3-Pyridylacetic Acid Derivative (TAK-100) as a Potent, Selective and Orally Active Dipeptidyl Peptidase IV (DPP-4) Inhibitor.
J.Med.Chem., 53, 2011
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7ZZO
 | | HDAC2 in complex with an inhibitor | | Descriptor: | 2-(cyclohexylazaniumyl)ethanesulfonate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Cleasby, A, Tisi, D. | | Deposit date: | 2022-05-25 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Fragment-Based Discovery of a Novel, Brain Penetrant, Orally Active HDAC2 Inhibitor.
Acs Med.Chem.Lett., 13, 2022
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