4IIB
 
 | | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | | Deposit date: | 2012-12-20 | | Release date: | 2013-04-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus
Biochem.J., 452, 2013
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4GMY
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8J81
 | | MDM2 bound with a peptoid | | Descriptor: | (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 | | Authors: | Yokomine, M, Fukuda, Y, Ago, H, Matsuura, H, Ueno, G, Nagatoishi, S, Yamamoto, M, Tsumoto, K, Jumpei, M, Sando, S. | | Deposit date: | 2023-04-28 | | Release date: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | A structural and physicochemical study of how a peptoid binds to a protein
To Be Published
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3WYX
 | | 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 | | Descriptor: | 6-{[3-(cyanomethoxy)-4-(1-methyl-1H-pyrazol-4-yl)phenyl]amino}-2-(cyclohexylamino)pyridine-3-carbonitrile, Dual specificity protein kinase TTK, IODIDE ION | | Authors: | 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. | | Deposit date: | 2014-09-09 | | Release date: | 2015-04-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
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3WZK
 | | 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 | | Descriptor: | CHLORIDE ION, Dual specificity protein kinase TTK, N-cyclopropyl-4-{8-[(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyrazin-3-yl}benzamide | | Authors: | 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. | | Deposit date: | 2014-09-29 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | 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
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2ZRU
 | | Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with FMN | | Descriptor: | FLAVIN MONONUCLEOTIDE, Isopentenyl-diphosphate delta-isomerase | | Authors: | Unno, H, Yamashita, S, Ikeda, Y, Sekiguchi, S, Yoshida, N, Yoshimura, T, Kusunoki, M, Nakayama, T, Nishino, T, Hemmi, H. | | Deposit date: | 2008-09-01 | | Release date: | 2009-01-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | 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
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3TCE
 | | Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with 5-Hydroxylysine at 2.6 A resolution | | Descriptor: | 5-HYDROXYLYSINE, Dihydrodipicolinate synthase | | Authors: | Shukla, P.K, Kaushik, S, Sinha, M, Kaur, P, Tewari, R, Sharma, S, Singh, T.P. | | Deposit date: | 2011-08-09 | | Release date: | 2011-08-31 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with 5-Hydroxylysine at 2.6 A resolution
To be Published
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5GZH
 | | Endo-beta-1,2-glucanase from Chitinophaga pinensis - ligand free form | | Descriptor: | Endo-beta-1,2-glucanase, IODIDE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose | | Authors: | Abe, K, Nakajima, M, Arakawa, T, Fushinobu, S, Taguchi, H. | | Deposit date: | 2016-09-28 | | Release date: | 2017-03-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Biochemical and structural analyses of a bacterial endo-beta-1,2-glucanase reveal a new glycoside hydrolase family
J. Biol. Chem., 292, 2017
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5GTG
 | | Crystal structure of onion lachrymatory factor synthase (LFS) containing 1,2-propanediol | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Lachrymatory-factor synthase, S-1,2-PROPANEDIOL, ... | | Authors: | Arakawa, T, Sato, Y, Takabe, J, Masamura, N, Tsuge, N, Imai, S, Fushinobu, S. | | Deposit date: | 2016-08-20 | | Release date: | 2017-08-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Dissecting the Stereocontrolled Conversion of Short-Lived Sulfenic Acid by Lachrymatory Factor Synthase
Acs Catalysis, 10, 2020
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5GZK
 | | Endo-beta-1,2-glucanase from Chitinophaga pinensis - sophorotriose and glucose complex | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | | Authors: | Abe, K, Nakajima, M, Arakawa, T, Fushinobu, S, Taguchi, H. | | Deposit date: | 2016-09-28 | | Release date: | 2017-03-15 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Biochemical and structural analyses of a bacterial endo-beta-1,2-glucanase reveal a new glycoside hydrolase family
J. Biol. Chem., 292, 2017
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4IIC
 | | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with isofagomine | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | | Deposit date: | 2012-12-20 | | Release date: | 2013-04-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus
Biochem.J., 452, 2013
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4IKO
 | | Structure of Peptidyl- tRNA Hydrolase from Acinetobacter baumannii at 1.90 A resolution | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-12-27 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 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
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4IIE
 | | Crystal structure of beta-glucosidase 1 from Aspergillus aculeatus in complex with calystegine B(2) | | Descriptor: | (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, ... | | Authors: | Suzuki, K, Sumitani, J, Kawaguchi, T, Fushinobu, S. | | Deposit date: | 2012-12-20 | | Release date: | 2013-04-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of glycoside hydrolase family 3 beta-glucosidase 1 from Aspergillus aculeatus
Biochem.J., 452, 2013
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3WR7
 | | Crystal Structure of Spermidine Acetyltransferase from Escherichia coli | | Descriptor: | COENZYME A, SPERMIDINE, Spermidine N1-acetyltransferase | | Authors: | 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. | | Deposit date: | 2014-02-20 | | Release date: | 2015-09-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Molecular mechanism underlying promiscuous polyamine recognition by spermidine acetyltransferase
Int.J.Biochem.Cell Biol., 76, 2016
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2ZRX
 | | Crystal structure of Sulfolobus shibatae isopentenyl diphosphate isomerase in complex with FMN and DMAPP. | | Descriptor: | DIMETHYLALLYL DIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Isopentenyl-diphosphate delta-isomerase, ... | | Authors: | Unno, H, Yamashita, S, Ikeda, Y, Sekiguchi, S, Yoshida, N, Yoshimura, T, Kusunoki, M, Nakayama, T, Nishino, T, Hemmi, H. | | Deposit date: | 2008-09-01 | | Release date: | 2009-01-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | 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
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4FOT
 | | Crystal structure of Peptidyl- tRNA Hydrolase from Acinetobacter baumannii at 2.20 A resolution | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Yamini, S, Kaushik, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2012-06-21 | | Release date: | 2012-07-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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
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3WYY
 | | 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 | | Descriptor: | (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 | | Authors: | 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. | | Deposit date: | 2014-09-10 | | Release date: | 2015-04-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | A unique hinge binder of extremely selective aminopyridine-based Mps1 (TTK) kinase inhibitors with cellular activity.
Bioorg.Med.Chem., 23, 2015
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3U8G
 | | Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with Oxalic acid at 1.80 A resolution | | Descriptor: | Dihydrodipicolinate synthase, OXALATE ION | | Authors: | Kumar, M, Kaushik, S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2011-10-17 | | Release date: | 2011-11-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the complex of Dihydrodipicolinate synthase from Acinetobacter baumannii with Oxalic acid at 1.80 A resolution
To be Published
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3WZJ
 | | 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 | | Descriptor: | 4-{6-(cyclohexylamino)-8-[(tetrahydro-2H-pyran-4-ylmethyl)amino]imidazo[1,2-b]pyridazin-3-yl}-N-cyclopropylbenzamide, Dual specificity protein kinase TTK | | Authors: | 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. | | Deposit date: | 2014-09-29 | | Release date: | 2015-02-11 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | 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
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1IYG
 | | Solution structure of RSGI RUH-001, a Fis1p-like and CGI-135 homologous domain from a mouse cDNA | | Descriptor: | Hypothetical protein (2010003O14) | | Authors: | Ohashi, W, Hirota, H, Yamazaki, T, Koshiba, S, Hamada, T, Yoshida, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-08-14 | | Release date: | 2003-02-14 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of RSGI RUH-001, a Fis1p-like and CGI-135 homologous domain from a mouse cDNA
To be Published
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4K77
 | | JAK1 kinase (JH1 domain) in complex with compound 6 | | Descriptor: | 4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-8(7H)-one, Tyrosine-protein kinase JAK1 | | Authors: | Eigenbrot, C, Shia, S. | | Deposit date: | 2013-04-16 | | Release date: | 2013-10-02 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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2LAA
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3TUS
 | | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Meta-hydroxy benzoic acid at 2.5 A Resolution | | Descriptor: | 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, ... | | Authors: | Shukla, P.K, Gautam, L, Singh, A, Kaushik, S, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2011-09-18 | | Release date: | 2011-10-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of C-lobe of Bovine lactoferrin Complexed with Meta-hydroxy benzoic acid at 2.5 A Resolution
To be Published
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2LAB
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2YZ8
 | | Crystal structure of the 32th Ig-like domain of human obscurin (KIAA1556) | | Descriptor: | Obscurin | | Authors: | 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) | | Deposit date: | 2007-05-04 | | Release date: | 2008-05-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the 32th Ig-like domain of human obscurin (KIAA1556)
To be Published
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