8JBN
 
 | | Vascular endothelial protein tyrosine phosphatase in complex with Cpd-1 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(1~{H}-indol-3-yl)-1,2-oxazole-3-carboxylic acid, ... | | 著者 | Orita, T, Furuzono, T, Doi, S, Adachi, T. | | 登録日 | 2023-05-09 | | 公開日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Fragment-Based Discovery of Novel VE-PTP Inhibitors Using Orthogonal Biophysical Techniques.
Biochemistry, 62, 2023
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8JBY
 | | Vascular endothelial protein tyrosine phosphatase in complex with Cpd-2 | | 分子名称: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid, ... | | 著者 | Orita, T, Furuzono, T, Doi, S, Adachi, T. | | 登録日 | 2023-05-10 | | 公開日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Fragment-Based Discovery of Novel VE-PTP Inhibitors Using Orthogonal Biophysical Techniques.
Biochemistry, 62, 2023
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7VBX
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 20 | | 分子名称: | (3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide, ACETATE ION, CHLORIDE ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | | 登録日 | 2021-09-01 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors.
Bioorg.Med.Chem., 52, 2021
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7VBU
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 5 | | 分子名称: | 8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole, ACETATE ION, CHLORIDE ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | | 登録日 | 2021-09-01 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors.
Bioorg.Med.Chem., 52, 2021
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7VBV
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 7 | | 分子名称: | ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Fujishima, A, Adachi, T. | | 登録日 | 2021-09-01 | | 公開日 | 2022-02-16 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Structure-based drug design of novel and highly potent pyruvate dehydrogenase kinase inhibitors.
Bioorg.Med.Chem., 52, 2021
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7EAT
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 1 | | 分子名称: | 1,3-dihydro-2H-indol-2-one, SULFATE ION, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-08 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EBG
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 7 | | 分子名称: | 3,3-dimethyl-7-(methylamino)-1H-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-09 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EBB
 | | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 2 | | 分子名称: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-09 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EA0
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 1 | | 分子名称: | 1,3-dihydro-2H-indol-2-one, ACETATE ION, CHLORIDE ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-05 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.34 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EBH
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 13 | | 分子名称: | 5-bromanyl-2-methyl-6-propyl-7H-pyrrolo[2,3-d]pyrimidine, ACETATE ION, CHLORIDE ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-09 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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7EAS
 | | Crystal structure of human pyruvate dehydrogenase kinase 2 in complex with compound 2 | | 分子名称: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ACETATE ION, CHLORIDE ION, ... | | 著者 | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | | 登録日 | 2021-03-08 | | 公開日 | 2021-08-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases.
Bioorg.Med.Chem., 44, 2021
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8WSM
 | | NLRP3 NACHT domain in complex with compound 32 | | 分子名称: | 2-[[2-methyl-5-(trifluoromethyl)phenyl]amino]-~{N}-(1,4-oxazepan-4-ylsulfonyl)-1,3-oxazole-4-carboxamide, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Akai, S, Orita, T, Adachi, T. | | 登録日 | 2023-10-17 | | 公開日 | 2023-11-22 | | 最終更新日 | 2024-01-03 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Discovery of Novel NLRP3 Inflammasome Inhibitors Composed of an Oxazole Scaffold Bearing an Acylsulfamide.
Acs Med.Chem.Lett., 14, 2023
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2DXS
 | | Crystal structure of HCV NS5B RNA polymerase complexed with a tetracyclic inhibitor | | 分子名称: | Genome polyprotein, N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-2-METHYL-L-ALANINE | | 著者 | Adachi, T, Tsuruha, J, Doi, S, Murase, K, Ikegashira, K, Watanabe, S, Uehara, K, Orita, T, Nomura, A, Kamada, M. | | 登録日 | 2006-08-30 | | 公開日 | 2006-12-26 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of Conformationally Constrained Tetracyclic Compounds as Potent Hepatitis C Virus NS5B RNA Polymerase Inhibitors
J.Med.Chem., 49, 2006
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3VQS
 | | Crystal structure of HCV NS5B RNA polymerase with a novel piperazine inhibitor | | 分子名称: | (2R)-4-(5-cyclopropyl[1,3]thiazolo[4,5-d]pyrimidin-2-yl)-N-[3-fluoro-4-(trifluoromethoxy)benzyl]-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine-2-carboxamide, CHLORIDE ION, RNA-directed RNA polymerase | | 著者 | Adachi, T, Doi, S, Ando, I, Sugimoto, K, Orita, T, Nomura, A, Kamada, M. | | 登録日 | 2012-03-30 | | 公開日 | 2012-08-08 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Preclinical Characterization of JTK-853, a Novel Nonnucleoside Inhibitor of the Hepatitis C Virus RNA-Dependent RNA Polymerase.
Antimicrob.Agents Chemother., 56, 2012
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1V7P
 | | Structure of EMS16-alpha2-I domain complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EMS16 A chain, ... | | 著者 | Horii, K, Okuda, D, Morita, T, Mizuno, H. | | 登録日 | 2003-12-19 | | 公開日 | 2004-09-07 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of EMS16 in complex with the integrin alpha2-I domain
J.Mol.Biol., 341, 2004
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2EPF
 | | Crystal Structure of Zinc-Bound Pseudecin From Pseudechis Porphyriacus | | 分子名称: | Pseudecin, SODIUM ION, ZINC ION | | 著者 | Suzuki, N, Yamazaki, Y, Fujimoto, Z, Morita, T, Mizuno, H. | | 登録日 | 2007-03-29 | | 公開日 | 2008-03-11 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structures of pseudechetoxin and pseudecin, two snake-venom cysteine-rich secretory proteins that target cyclic nucleotide-gated ion channels: implications for movement of the C-terminal cysteine-rich domain
Acta Crystallogr.,Sect.D, 64, 2008
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8JOR
 | | Structure of an acyltransferase involved in mannosylerythritol lipid formation from Pseudozyma tsukubaensis in type A crystal | | 分子名称: | Acyltransferase, PENTAETHYLENE GLYCOL | | 著者 | Nakamichi, Y, Saika, A, Watanabe, M, Fujii, T, Morita, T. | | 登録日 | 2023-06-08 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Structural identification of catalytic His158 of PtMAC2p from Pseudozyma tsukubaensis , an acyltransferase involved in mannosylerythritol lipids formation.
Front Bioeng Biotechnol, 11, 2023
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8JOS
 | | Structure of an acyltransferase involved in mannosylerythritol lipid formation from Pseudozyma tsukubaensis in type B crystal | | 分子名称: | Acyltransferase, CHLORIDE ION, TRIETHYLENE GLYCOL | | 著者 | Nakamichi, Y, Saika, A, Watanabe, M, Fujii, T, Morita, T. | | 登録日 | 2023-06-08 | | 公開日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (1.59 Å) | | 主引用文献 | Structural identification of catalytic His158 of PtMAC2p from Pseudozyma tsukubaensis , an acyltransferase involved in mannosylerythritol lipids formation.
Front Bioeng Biotechnol, 11, 2023
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1BJ3
 | | CRYSTAL STRUCTURE OF COAGULATION FACTOR IX-BINDING PROTEIN (IX-BP) FROM VENOM OF HABU SNAKE WITH A HETERODIMER OF C-TYPE LECTIN DOMAINS | | 分子名称: | CALCIUM ION, PROTEIN (COAGULATION FACTOR IX-BINDING PROTEIN A), PROTEIN (COAGULATION FACTOR IX-BINDING PROTEIN B) | | 著者 | Mizuno, H, Fujimoto, Z, Koizumi, M, Kano, H, Atoda, H, Morita, T. | | 登録日 | 1998-07-02 | | 公開日 | 1999-08-16 | | 最終更新日 | 2017-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Crystal structure of coagulation factor IX-binding protein from habu snake venom at 2.6 A: implication of central loop swapping based on deletion in the linker region.
J.Mol.Biol., 289, 1999
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8IDQ
 | | Crystal structure of reducing-end xylose-releasing exoxylanase in GH30 from Talaromyces cellulolyticus with xylose | | 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, CHLORIDE ION, ... | | 著者 | Nakamichi, Y, Watanabe, M, Fujii, T, Inoue, H, Morita, T. | | 登録日 | 2023-02-14 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Crystal structure of reducing-end xylose-releasing exoxylanase in subfamily 7 of glycoside hydrolase family 30.
Proteins, 91, 2023
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8IDP
 | | Crystal structure of reducing-end xylose-releasing exoxylanase in GH30 from Talaromyces cellulolyticus | | 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, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Nakamichi, Y, Watanabe, M, Fujii, T, Inoue, H, Morita, T. | | 登録日 | 2023-02-14 | | 公開日 | 2023-05-17 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of reducing-end xylose-releasing exoxylanase in subfamily 7 of glycoside hydrolase family 30.
Proteins, 91, 2023
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1UEX
 | | Crystal structure of von Willebrand Factor A1 domain complexed with snake venom bitiscetin | | 分子名称: | bitiscetin alpha chain, bitiscetin beta chain, von Willebrand Factor | | 著者 | Maita, N, Nishio, K, Nishimoto, E, Matsui, T, Shikamoto, Y, Morita, T, Sadler, J.E, Mizuno, H. | | 登録日 | 2003-05-22 | | 公開日 | 2003-09-30 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Crystal structure of von Willebrand factor A1 domain complexed with snake venom, bitiscetin. Insight into glycoprotein Ibalpha binding mechanism induced by snake venom proteins.
J.Biol.Chem., 278, 2003
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3CW4
 | | Large c-terminal domain of influenza a virus RNA-dependent polymerase PB2 | | 分子名称: | Polymerase basic protein 2 | | 著者 | Kuzuhara, T, Kise, D, Yoshida, H, Horita, T, Murasaki, Y, Utsunomiya, H, Fujiki, H, Tsuge, H. | | 登録日 | 2008-04-21 | | 公開日 | 2009-01-13 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Structural basis of the influenza A virus RNA polymerase PB2 RNA-binding domain containing the pathogenicity-determinant lysine 627 residue
J.Biol.Chem., 284, 2009
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1C3A
 | | CRYSTAL STRUCTURE OF FLAVOCETIN-A FROM THE HABU SNAKE VENOM, A NOVEL CYCLIC TETRAMER OF C-TYPE LECTIN-LIKE HETERODIMERS | | 分子名称: | FLAVOCETIN-A: ALPHA SUBUNIT, FLAVOCETIN-A: BETA SUBUNIT | | 著者 | Fukuda, K, Mizuno, H, Atoda, H, Morita, T. | | 登録日 | 1999-07-27 | | 公開日 | 2000-03-06 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Crystal structure of flavocetin-A, a platelet glycoprotein Ib-binding protein, reveals a novel cyclic tetramer of C-type lectin-like heterodimers.
Biochemistry, 39, 2000
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1WVR
 | | Crystal Structure of a CRISP family Ca-channel blocker derived from snake venom | | 分子名称: | CADMIUM ION, Triflin | | 著者 | Shikamoto, Y, Suto, K, Yamazaki, Y, Morita, T, Mizuno, H. | | 登録日 | 2004-12-24 | | 公開日 | 2005-07-05 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Crystal structure of a CRISP family Ca2+ -channel blocker derived from snake venom.
J.Mol.Biol., 350, 2005
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