2DX0
 
 | | Crystal structure of the N-terminal SH2 domain of mouse phospholipase C-gamma 2 | | Descriptor: | Phospholipase C, gamma 2, SULFATE ION | | Authors: | Handa, N, Takagi, T, Murayama, K, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-08-22 | | Release date: | 2007-09-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the N-terminal SH2 domain of mouse phospholipase C-gamma 2
To be Published
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6N3O
 | | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | | Descriptor: | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide, eIF-2-alpha kinase GCN2 | | Authors: | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | | Deposit date: | 2018-11-15 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
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1X3K
 | | Crystal structure of a hemoglobin component (TA-V) from Tokunagayusurika akamusi | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, hemoglobin component V | | Authors: | Kuwada, T, Hasegawa, T, Sato, S, Sato, I, Ishikawa, K, Takagi, T, Shishikura, F. | | Deposit date: | 2005-05-09 | | Release date: | 2005-05-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structures of two hemoglobin components from the midge larva Propsilocerus akamusi (Orthocladiinae, Diptera).
Gene, 398, 2007
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1X46
 | | Crystal structure of a hemoglobin component (TA-VII) from Tokunagayusurika akamusi | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, hemoglobin component VII | | Authors: | Kuwada, T, Hasegawa, T, Sato, S, Sato, I, Ishikawa, K, Takagi, T, Shishikura, F. | | Deposit date: | 2005-05-14 | | Release date: | 2005-05-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal structures of two hemoglobin components from the midge larva Propsilocerus akamusi (Orthocladiinae, Diptera).
Gene, 398, 2007
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7ATS
 | | The LIMK1 Kinase Domain Bound To LIJTF500127 | | Descriptor: | LIM domain kinase 1, N-[3-[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide | | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Yamamoto, S, Tawada, M, Nomura, I, Takagi, T, Ahmed, M, Little, W, Mueller-Knapp, S, Knapp, S. | | Deposit date: | 2020-10-30 | | Release date: | 2020-11-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The LIMK1 Kinase Domain Bound To LIJTF500127
To Be Published
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7ATU
 | | The LIMK1 Kinase Domain Bound To LIJTF500025 | | Descriptor: | (S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide, LIM domain kinase 1 | | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Yamamoto, S, Tawada, M, Nomura, I, Takagi, T, Ahmed, M, Little, W, Mueller-Knapp, S, Knapp, S. | | Deposit date: | 2020-10-30 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The LIMK1 Kinase Domain Bound To LIJTF500025
To Be Published
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6N3L
 | | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | | Descriptor: | N-{6-[(1-methyl-2-{[4-(trifluoromethyl)phenyl]amino}-1H-benzimidazol-5-yl)oxy]pyrimidin-4-yl}cyclopropanecarboxamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 | | Authors: | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | | Deposit date: | 2018-11-15 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
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6N3N
 | | Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents | | Descriptor: | N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-2,5-dichloro-3-(hydroxymethyl)benzene-1-sulfonamide, eIF-2-alpha kinase GCN2,eIF-2-alpha kinase GCN2 | | Authors: | Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R. | | Deposit date: | 2018-11-15 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
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2DYL
 | | Crystal structure of human mitogen-activated protein kinase kinase 7 activated mutant (S287D, T291D) | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 7 | | Authors: | Kukimoto-Niino, M, Takagi, T, Kaminishi, T, Uchikubo-Kamo, T, Terada, T, Matsuzaki, O, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2006-09-15 | | Release date: | 2007-08-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of human mitogen-activated protein kinase kinase 7 activated mutant (S287D, T291D)
To be Published
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3ARJ
 | | Cl- binding hemoglobin component V form Propsilocerus akamusi under 500 mM NaCl at pH 4.6 | | Descriptor: | CHLORIDE ION, Hemoglobin V, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kuwada, T, Hasegawa, T, Takagi, T, Shishikura, F. | | Deposit date: | 2010-12-02 | | Release date: | 2011-04-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Involvement of the distal Arg residue in Cl- binding of midge larval haemoglobin
Acta Crystallogr.,Sect.D, 67, 2011
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3ARK
 | | Cl- binding hemoglobin component V form Propsilocerus akamusi under 1 M NaCl at pH 4.6 | | Descriptor: | CHLORIDE ION, Hemoglobin V, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kuwada, T, Hasegawa, T, Takagi, T, Shishikura, F. | | Deposit date: | 2010-12-02 | | Release date: | 2011-04-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Involvement of the distal Arg residue in Cl- binding of midge larval haemoglobin
Acta Crystallogr.,Sect.D, 67, 2011
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3ARL
 | | Cl- binding hemoglobin component V form Propsilocerus akamusi under 500 mM NaCl at pH 5.5 | | Descriptor: | CHLORIDE ION, Hemoglobin V, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kuwada, T, Hasegawa, T, Takagi, T, Shishikura, F. | | Deposit date: | 2010-12-02 | | Release date: | 2011-04-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Involvement of the distal Arg residue in Cl- binding of midge larval haemoglobin
Acta Crystallogr.,Sect.D, 67, 2011
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2YZA
 | | Crystal structure of kinase domain of Human 5'-AMP-activated protein kinase alpha-2 subunit mutant (T172D) | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-2 | | Authors: | Saijo, S, Takagi, T, Yoshikawa, S, Kishishita, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-05-04 | | Release date: | 2008-05-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.02 Å) | | Cite: | Structural basis for compound C inhibition of the human AMP-activated protein kinase alpha 2 subunit kinase domain
Acta Crystallogr.,Sect.D, 67, 2011
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3AQV
 | | Human AMP-activated protein kinase alpha 2 subunit kinase domain (T172D) complexed with compound C | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-2, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine | | Authors: | Handa, N, Takagi, T, Saijo, S, Kishishita, S, Toyama, M, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2010-11-19 | | Release date: | 2011-04-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Structural basis for compound C inhibition of the human AMP-activated protein kinase alpha 2 subunit kinase domain
Acta Crystallogr.,Sect.D, 67, 2011
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2ZWJ
 | | Crystal structure of a hemoglobin component V from Propsilocerus akamusi (pH4.6 coordinates) | | Descriptor: | Hemoglobin V, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kuwada, T, Hasegawa, T, Takagi, T, Shishikura, F. | | Deposit date: | 2008-12-13 | | Release date: | 2009-01-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | pH-dependent structural changes in haemoglobin component V from the midge larva Propsilocerus akamusi (Orthocladiinae, Diptera)
Acta Crystallogr.,Sect.D, 66, 2010
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3A5A
 | | Crystal structure of a hemoglobin component V from Propsilocerus akamusi (pH5.6 coordinates) | | Descriptor: | Hemoglobin V, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kuwada, T, Hasegawa, T, Takagi, T, Shishikura, F. | | Deposit date: | 2009-08-05 | | Release date: | 2010-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | pH-dependent structural changes in haemoglobin component V from the midge larva Propsilocerus akamusi (Orthocladiinae, Diptera)
Acta Crystallogr.,Sect.D, 66, 2010
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3A5B
 | | Crystal structure of a hemoglobin component V from Propsilocerus akamusi (pH6.5 coordinates) | | Descriptor: | Hemoglobin V, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kuwada, T, Hasegawa, T, Takagi, T, Shishikura, F. | | Deposit date: | 2009-08-05 | | Release date: | 2010-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | pH-dependent structural changes in haemoglobin component V from the midge larva Propsilocerus akamusi (Orthocladiinae, Diptera)
Acta Crystallogr.,Sect.D, 66, 2010
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3A5G
 | | Crystal structure of a hemoglobin component V from Propsilocerus akamusi (pH7.0 coordinates) | | Descriptor: | CARBON MONOXIDE, Hemoglobin V, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kuwada, T, Hasegawa, T, Takagi, T, Shishikura, F. | | Deposit date: | 2009-08-06 | | Release date: | 2010-02-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | pH-dependent structural changes in haemoglobin component V from the midge larva Propsilocerus akamusi (Orthocladiinae, Diptera)
Acta Crystallogr.,Sect.D, 66, 2010
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3A9M
 | | Crystal structure of a hemoglobin component V from Propsilocerus akamusi (pH9.0 coordinates) | | Descriptor: | CARBON MONOXIDE, Hemoglobin V, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Kuwada, T, Hasegawa, T, Takagi, T, Shishikura, F. | | Deposit date: | 2009-10-30 | | Release date: | 2010-03-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | pH-dependent structural changes in haemoglobin component V from the midge larva Propsilocerus akamusi (Orthocladiinae, Diptera)
Acta Crystallogr.,Sect.D, 66, 2010
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2E8A
 | | Crystal structure of the human Hsp70 ATPase domain in complex with AMP-PNP | | Descriptor: | Heat shock 70kDa protein 1A, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Shida, M, Ishii, R, Takagi, T, Kishishita, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-01-19 | | Release date: | 2008-01-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Direct inter-subdomain interactions switch between the closed and open forms of the Hsp70 nucleotide-binding domain in the nucleotide-free state.
Acta Crystallogr.,Sect.D, 66, 2010
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2E88
 | | Crystal structure of the human Hsp70 ATPase domain in the apo form | | Descriptor: | Heat shock 70kDa protein 1A, ZINC ION | | Authors: | Shida, M, Ishii, R, Takagi, T, Kishishita, S, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-01-19 | | Release date: | 2008-01-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct inter-subdomain interactions switch between the closed and open forms of the Hsp70 nucleotide-binding domain in the nucleotide-free state.
Acta Crystallogr.,Sect.D, 66, 2010
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3VHE
 | | Crystal structure of human VEGFR2 kinase domain with a novel pyrrolopyrimidine inhibitor. | | Descriptor: | 1-{2-fluoro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-(trifluoromethyl)phenyl]urea, Vascular endothelial growth factor receptor 2 | | Authors: | Oguro, Y, Miyamoto, N, Okada, K, Takagi, T, Iwata, H, Awazu, Y, Miki, H, Hori, A, Kamiyama, K, Imanura, S. | | Deposit date: | 2011-08-24 | | Release date: | 2011-11-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Design, synthesis, and evaluation of 5-methyl-4-phenoxy-5H-pyrrolo[3,2-d]pyrimidine derivatives: novel VEGFR2 kinase inhibitors binding to inactive kinase conformation.
Bioorg.Med.Chem., 18, 2010
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3VHK
 | | Crystal structure of the VEGFR2 kinase domain in complex with a back pocket binder | | Descriptor: | 1,2-ETHANEDIOL, Vascular endothelial growth factor receptor 2, {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol | | Authors: | Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H. | | Deposit date: | 2011-08-25 | | Release date: | 2012-09-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
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3VID
 | | Crystal structure of human VEGFR2 kinase domain with Compound A. | | Descriptor: | 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole, Vascular endothelial growth factor receptor 2 | | Authors: | Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H. | | Deposit date: | 2011-09-29 | | Release date: | 2012-08-15 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
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4DBN
 | | Crystal Structure of the Kinase domain of Human B-raf with a [1,3]thiazolo[5,4-b]pyridine derivative | | Descriptor: | 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Yano, J.K, Aertgeerts, K. | | Deposit date: | 2012-01-16 | | Release date: | 2012-04-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors. 1. Exploration of [5,6]-fused bicyclic scaffolds.
J.Med.Chem., 55, 2012
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