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PDB: 2085 件

4IIB
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Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S.
登録日2012-12-20
公開日2013-04-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus
Biochem.J., 452, 2013
4GMY
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JAK2 kinase (JH1 domain) in complex with 2,6-DICHLORO-N-{2-[(CYCLOPROPYLCARBONYL)AMINO]PYRIDIN-4-YL}BENZAMIDE
分子名称: 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, Tyrosine-protein kinase JAK2
著者Murray, J.M, Shia, S.
登録日2012-08-16
公開日2013-06-19
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Lead identification of novel and selective TYK2 inhibitors.
Eur.J.Med.Chem., 67, 2013
8J81
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MDM2 bound with a peptoid
分子名称: (2S)-2-[[(2S)-2-[(6-chloranyl-1H-indol-3-yl)methyl-[(2S)-2-[[(2S)-2-[ethanoyl-(phenylmethyl)amino]propanoyl]-methyl-amino]propanoyl]amino]propanoyl]-methyl-amino]-N-(3,3-dimethylbutyl)-N-[(2S)-1-oxidanylidene-1-piperazin-1-yl-propan-2-yl]propanamide, CHLORIDE ION, E3 ubiquitin-protein ligase Mdm2
著者Yokomine, M, Fukuda, Y, Ago, H, Matsuura, H, Ueno, G, Nagatoishi, S, Yamamoto, M, Tsumoto, K, Jumpei, M, Sando, S.
登録日2023-04-28
公開日2024-05-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A structural and physicochemical study of how a peptoid binds to a protein
To Be Published
3WYX
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 6-((3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-2-(cyclohexylamino)nicotinonitrile
分子名称: 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
登録日2014-09-09
公開日2015-04-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
3WZK
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH N-cyclopropyl-4-(8-((thiophen-2-ylmethyl)amino)imidazo[1,2-a]pyrazin-3-yl)benzamide
分子名称: CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
登録日2014-09-29
公開日2015-02-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
2ZRU
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Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with FMN
分子名称: FLAVIN MONONUCLEOTIDE, Isopentenyl-diphosphate delta-isomerase
著者Unno, H, Yamashita, S, Ikeda, Y, Sekiguchi, S, Yoshida, N, Yoshimura, T, Kusunoki, M, Nakayama, T, Nishino, T, Hemmi, H.
登録日2008-09-01
公開日2009-01-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献New role of flavin as a general acid-base catalyst with no redox function in type 2 isopentenyl-diphosphate isomerase.
J.Biol.Chem., 284, 2009
3TCE
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Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with 5-Hydroxylysine at 2.6 A resolution
分子名称: 5-HYDROXYLYSINE, Dihydrodipicolinate synthase
著者Shukla, P.K, Kaushik, S, Sinha, M, Kaur, P, Tewari, R, Sharma, S, Singh, T.P.
登録日2011-08-09
公開日2011-08-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with 5-Hydroxylysine at 2.6 A resolution
To be Published
5GZH
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Endo-beta-1,2-glucanase from Chitinophaga pinensis - ligand free form
分子名称: Endo-beta-1,2-glucanase, IODIDE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
著者Abe, K, Nakajima, M, Arakawa, T, Fushinobu, S, Taguchi, H.
登録日2016-09-28
公開日2017-03-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biochemical and structural analyses of a bacterial endo-beta-1,2-glucanase reveal a new glycoside hydrolase family
J. Biol. Chem., 292, 2017
5GTG
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Crystal structure of onion lachrymatory factor synthase (LFS) containing 1,2-propanediol
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lachrymatory-factor synthase, S-1,2-PROPANEDIOL, ...
著者Arakawa, T, Sato, Y, Takabe, J, Masamura, N, Tsuge, N, Imai, S, Fushinobu, S.
登録日2016-08-20
公開日2017-08-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Dissecting the Stereocontrolled Conversion of Short-Lived Sulfenic Acid by Lachrymatory Factor Synthase
Acs Catalysis, 10, 2020
5GZK
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Endo-beta-1,2-glucanase from Chitinophaga pinensis - sophorotriose and glucose complex
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
著者Abe, K, Nakajima, M, Arakawa, T, Fushinobu, S, Taguchi, H.
登録日2016-09-28
公開日2017-03-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Biochemical and structural analyses of a bacterial endo-beta-1,2-glucanase reveal a new glycoside hydrolase family
J. Biol. Chem., 292, 2017
4IIC
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Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with isofagomine
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S.
登録日2012-12-20
公開日2013-04-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus
Biochem.J., 452, 2013
4IKO
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Structure of Peptidyl- tRNA Hydrolase from Acinetobacter baumannii at 1.90 A resolution
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
著者Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2012-12-27
公開日2013-01-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
4IIE
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Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with calystegine B(2)
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S.
登録日2012-12-20
公開日2013-04-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus
Biochem.J., 452, 2013
3WR7
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Crystal Structure of Spermidine Acetyltransferase from Escherichia coli
分子名称: COENZYME A, SPERMIDINE, Spermidine N1-acetyltransferase
著者Sugiyama, S, Ishikawa, S, Tomitori, S, Niiyama, M, Hirose, M, Miyazaki, Y, Higashi, K, Adachi, H, Takano, K, Murakami, S, Inoue, T, Mori, Y, Kashiwagi, K, Igarashi, K, Matsumura, H.
登録日2014-02-20
公開日2015-09-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mechanism underlying promiscuous polyamine recognition by spermidine acetyltransferase
Int.J.Biochem.Cell Biol., 76, 2016
2ZRX
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Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with FMN and DMAPP.
分子名称: DIMETHYLALLYL DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Isopentenyl-diphosphate delta-isomerase, ...
著者Unno, H, Yamashita, S, Ikeda, Y, Sekiguchi, S, Yoshida, N, Yoshimura, T, Kusunoki, M, Nakayama, T, Nishino, T, Hemmi, H.
登録日2008-09-01
公開日2009-01-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献New role of flavin as a general acid-base catalyst with no redox function in type 2 isopentenyl-diphosphate isomerase.
J.Biol.Chem., 284, 2009
4FOT
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Crystal structure of Peptidyl- tRNA Hydrolase from Acinetobacter baumannii at 2.20 A resolution
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2012-06-21
公開日2012-07-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii
Plos One, 8, 2013
3WYY
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH (E)-3-(4-((6-(((3s,5s,7s)-adamantan-1-yl)amino)-4-amino-5-cyanopyridin-2-yl)amino)-2-(cyanomethoxy)phenyl)-N-(2-methoxyethyl)acrylamide
分子名称: (2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide, Dual specificity protein kinase TTK
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Murai, H, Nakamura, Y.
登録日2014-09-10
公開日2015-04-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
3U8G
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Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with Oxalic acid at 1.80 A resolution
分子名称: Dihydrodipicolinate synthase, OXALATE ION
著者Kumar, M, Kaushik, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2011-10-17
公開日2011-11-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with Oxalic acid at 1.80 A resolution
To be Published
3WZJ
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-(6-(cyclohexylamino)-8-(((tetrahydro-2H-pyran-4-yl)methyl)amino)imidazo[1,2-b]pyridazin-3-yl)-N-cyclopropylbenzamide
分子名称: 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide, Dual specificity protein kinase TTK
著者Kusakabe, K, Ide, N, Daigo, Y, Itoh, T, Yamamoto, T, Kojima, E, Mitsuoka, Y, Tadano, G, Tagashira, S, Higashino, K, Okano, Y, Sato, Y, Inoue, M, Iguchi, M, Kanazawa, T, Ishioka, Y, Dohi, K, Kido, Y, Sakamoto, S, Ando, S, Maeda, M, Higaki, M, Yoshizawa, H, Mura, H, Nakamura, Y.
登録日2014-09-29
公開日2015-02-11
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity.
J.Med.Chem., 58, 2015
1IYG
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Solution structure of RSGI RUH-001, a Fis1p-like and CGI-135 homologous domain from a mouse cDNA
分子名称: Hypothetical protein (2010003O14)
著者Ohashi, W, Hirota, H, Yamazaki, T, Koshiba, S, Hamada, T, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2002-08-14
公開日2003-02-14
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Solution structure of RSGI RUH-001, a Fis1p-like and CGI-135 homologous domain from a mouse cDNA
To be Published
4K77
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JAK1 kinase (JH1 domain) in complex with compound 6
分子名称: 4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7H)-one, Tyrosine-protein kinase JAK1
著者Eigenbrot, C, Shia, S.
登録日2013-04-16
公開日2013-10-02
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
2LAA
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BU of 2laa by Molmil
Solution Strucuture of the CBM25-1 of beta/alpha-amylase from Paenibacillus polymyxa
分子名称: Beta/alpha-amylase
著者Horibe, I, Nishimura, S, Takahashi, R, Ohkubo, T, Yoshida, T.
登録日2011-03-09
公開日2012-04-04
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A functional and structural analysis of tundem family 25 carbohydrate-binding modules from Paenibacillus polymyxa beta/alpha-amylase
To be Published
3TUS
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BU of 3tus by Molmil
Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Meta-hydroxy benzoic acid at 2.5 A Resolution
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, 3-HYDROXYBENZOIC ACID, ...
著者Shukla, P.K, Gautam, L, Singh, A, Kaushik, S, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2011-09-18
公開日2011-10-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Meta-hydroxy benzoic acid at 2.5 A Resolution
To be Published
2LAB
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Solution Strucuture of the CBM25-2 of beta/alpha-amylase from Paenibacillus polymyxa
分子名称: Beta/alpha-amylase
著者Takahashi, R, Nishimura, S, Ohkubo, T, Yoshida, T.
登録日2011-03-09
公開日2012-04-04
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献A functional and structural analysis of tundem family 25 carbohydrate-binding modules from Paenibacillus polymyxa beta/alpha-amylase
To be Published
2YZ8
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Crystal structure of the 32th Ig-like domain of human obscurin (KIAA1556)
分子名称: Obscurin
著者Saijo, S, Ohsawa, N, Nishino, A, Kishishita, S, Chen, L, Fu, Z.Q, Chrzas, J, Wang, B.C, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-05-04
公開日2008-05-06
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the 32th Ig-like domain of human obscurin (KIAA1556)
To be Published

222415

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