3W73
 
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-129 | | Descriptor: | 2,6-dioxo-5-[2-(phenanthren-9-yl)ethyl]-1,2,3,6- tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2013-02-27 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-129
To be Published
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3W7C
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-077 | | Descriptor: | 5-[2-(5-methoxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2013-02-28 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-077
To be Published
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3W87
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-103 | | Descriptor: | 1,2-ETHANEDIOL, 5-{4-[5-(methoxycarbonyl)naphthalen-2-yl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, CACODYLATE ION, ... | | Authors: | Inaoka, D.K, Hashimoto, S, Rocha, J.R, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Kuranaga, T, Shiba, T, Balogun, E.O, Sakamoto, K, Suzuki, S, Montanari, C.A, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2013-03-12 | | Release date: | 2014-04-09 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-103
To be Published
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3W74
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-139 | | Descriptor: | 2,6-dioxo-5-{2-[4-(trifluoromethoxy)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2013-02-27 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-4-139
To be Published
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3W7E
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-179 | | Descriptor: | 5-[2-(7-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2013-02-28 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-179
To be Published
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3W2U
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-193 | | Descriptor: | 5-{2-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2012-12-05 | | Release date: | 2013-12-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-193
To be Published
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3W7N
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-3-149 | | Descriptor: | 5-(2-{6-[(2-hydroxyethyl)carbamoyl]naphthalen-2-yl}ethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2013-03-02 | | Release date: | 2014-03-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-3-149
To be Published
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3W86
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-96 | | Descriptor: | 1,2-ETHANEDIOL, 5-{4-[4-(methoxycarbonyl)phenyl]butyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, CACODYLATE ION, ... | | Authors: | Inaoka, D.K, Hashimoto, S, Rocha, J.R, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Kuranaga, T, Shiba, T, Balogun, E.O, Sakamoto, K, Suzuki, S, Montanari, C.A, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2013-03-12 | | Release date: | 2014-03-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with SH-1-96
To be Published
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3WXK
 | | Crystal structure of trypanosoma brucei gambiense glycerol kinase in complex with glycerol | | Descriptor: | GLYCEROL, Glycerol kinase, HEXANE-1,6-DIOL | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Kido, Y, Tsuge, C, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Kita, K, Harada, S. | | Deposit date: | 2014-08-01 | | Release date: | 2014-12-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Molecular basis for the reverse reaction of African human trypanosomes glycerol kinase.
Mol.Microbiol., 94, 2014
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3WXI
 | | Crystal structure of trypanosoma brucei gambiense glycerol kinase (ligand-free form) | | Descriptor: | Glycerol kinase | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Kido, Y, Tsuge, T, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Kita, K, Harada, S. | | Deposit date: | 2014-08-01 | | Release date: | 2014-12-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Molecular basis for the reverse reaction of African human trypanosomes glycerol kinase.
Mol.Microbiol., 94, 2014
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3WXL
 | | Crystal structure of trypanosoma brucei gambiense glycerol kinase complex with adp, mg2+, and glycerol | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Glycerol kinase, ... | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Kido, Y, Tsuge, C, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Kita, K, Harada, S. | | Deposit date: | 2014-08-01 | | Release date: | 2014-12-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular basis for the reverse reaction of African human trypanosomes glycerol kinase.
Mol.Microbiol., 94, 2014
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3WXJ
 | | Crystal structure of trypanosoma brucei gambiense glycerol kinase in complex with glycerol 3-phosphate | | Descriptor: | GLYCEROL, Glycerol kinase, SN-GLYCEROL-3-PHOSPHATE | | Authors: | Balogun, E.O, Inaoka, D.K, Shiba, T, Kido, Y, Tsuge, C, Nara, T, Aoki, T, Honma, T, Tanaka, A, Inoue, M, Matsuoka, S, Michels, P.A.M, Kita, K, Harada, S. | | Deposit date: | 2014-08-01 | | Release date: | 2014-12-31 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular basis for the reverse reaction of African human trypanosomes glycerol kinase.
Mol.Microbiol., 94, 2014
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6JAF
 | | Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with PPi (pyrophosphatase reaction) | | Descriptor: | GLYCEROL, Glycerol kinase, PYROPHOSPHATE 2- | | Authors: | Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, Bringaud, F, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T. | | Deposit date: | 2019-01-24 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Glycerol Kinase of African Human Trypanosomes Possesses a Pyrophosphatase Activity.
To Be Published
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6J9X
 | | Crystal structure of Trypanosoma brucei gambiense glycerol kinase phosphorylated at Thr12(pyrophosphatase reaction) | | Descriptor: | GLYCEROL, Glycerol kinase | | Authors: | Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, Bringaud, F, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T. | | Deposit date: | 2019-01-24 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Glycerol Kinase of African Human Trypanosomes Possesses a Pyrophosphatase Activity.
To Be Published
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6JAE
 | | Crystal structure of Trypanosoma brucei gambiense glycerol kinase complex with Pi (pyrophosphatase reaction) | | Descriptor: | GLYCEROL, Glycerol kinase, PHOSPHATE ION | | Authors: | Balogun, E.O, Chishima, T, Ichinose, M, Inaoka, D.K, Kido, Y, Ibrahim, B, Bringaud, F, de Koning, H, McKerrow, J.H, Watanabe, Y, Nozaki, T, Michels, P.A.M, Harada, S, Kita, K, Shiba, T. | | Deposit date: | 2019-01-24 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Glycerol Kinase of African Human Trypanosomes Possesses a Pyrophosphatase Activity.
To Be Published
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8K7Q
 | | Staphylococcus aureus lipase S116A inactive mutant-PSA complex | | Descriptor: | ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kitadokoro, J, Kamitani, S, Kitadokoro, K. | | Deposit date: | 2023-07-27 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Crystal structure of Staphylococcus aureus lipase complex with unsaturated petroselinic acid.
Febs Open Bio, 14, 2024
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8K7P
 | | Staphylococcus aureus lipase -PSA complex | | Descriptor: | ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kitadokoro, J, Kamitani, S, Kitadokoro, K. | | Deposit date: | 2023-07-27 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Crystal structure of Staphylococcus aureus lipase complex with unsaturated petroselinic acid.
Febs Open Bio, 14, 2024
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5TNT
 | | Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, N-[(1S,4S,7R)-2-(3-amino-4-chloro[1,2]oxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl]-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamide, ... | | Authors: | Sakurada, I, Endo, T, Hikita, K, Hirabayashi, T, Hosaka, Y, Kato, Y, Maeda, Y, Matsumoto, S, Mizuno, T, Nagasue, A, Nishimura, T, Shimada, S, Shinozaki, M, Taguchi, K, Takeuchi, K, Yokoyama, T, Hruza, A, Reichert, P, Zhang, T, Wood, H.B, Nakao, K, Furusako, S. | | Deposit date: | 2016-10-14 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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5TNO
 | | Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, SODIUM ION, ... | | Authors: | Sakurada, I, Endo, T, Hikita, K, Hirabayashi, T, Hosaka, Y, Kato, Y, Maeda, Y, Matsumoto, S, Mizuno, T, Nagasue, H, Nishimura, T, Shimada, S, Shinozaki, M, Taguchi, K, Takeuchi, K, Yokoyama, T, Hruza, A, Reichert, P, Zhang, T, Wood, H.B, Nakao, K, Furusako, S. | | Deposit date: | 2016-10-14 | | Release date: | 2017-04-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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8YIB
 | | Staphylococcus aureus lipase -PSA complex - covalent bonding state | | Descriptor: | ACETIC ACID, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Kitadokoro, J, Kamitani, S, Kitadokoro, K. | | Deposit date: | 2024-02-29 | | Release date: | 2024-06-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of Staphylococcus aureus lipase complex with unsaturated petroselinic acid.
Febs Open Bio, 14, 2024
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1PE6
 | | REFINED X-RAY STRUCTURE OF PAPAIN(DOT)E-64-C COMPLEX AT 2.1-ANGSTROMS RESOLUTION | | Descriptor: | METHANOL, N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-2-METHYL-BUTANE, PAPAIN | | Authors: | Yamamoto, D, Matsumoto, K, Ohishi, H, Ishida, T, Inoue, M, Kitamura, K, Mizuno, H. | | Deposit date: | 1991-05-14 | | Release date: | 1993-04-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Refined x-ray structure of papain.E-64-c complex at 2.1-A resolution.
J.Biol.Chem., 266, 1991
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2H9V
 | | Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y27632 | | Descriptor: | (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL) CYCLOHEXANECARBOXAMIDE, Rho-associated protein kinase 2 | | Authors: | Yamaguchi, H, Miwa, Y, Kasa, M, Kitano, K, Amano, M, Kaibuchi, K, Hakoshima, T. | | Deposit date: | 2006-06-12 | | Release date: | 2006-12-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y-27632
J.Biochem.(Tokyo), 140, 2006
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1OD5
 | | Crystal structure of glycinin A3B4 subunit homohexamer | | Descriptor: | CARBONATE ION, GLYCININ, MAGNESIUM ION | | Authors: | Adachi, M, Kanamori, J, Masuda, T, Yagasaki, K, Kitamura, K, Mikami, B, Utsumi, S. | | Deposit date: | 2003-02-13 | | Release date: | 2003-06-02 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Soybean 11S Globulin: Glycinin A3B4 Homohexamer
Proc.Natl.Acad.Sci.USA, 100, 2003
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5YIL
 | | Hoisting-loop in bacterial multidrug exporter AcrB is a highly flexible hinge that enables the large motion of the subdomains | | Descriptor: | Multidrug efflux pump subunit AcrB | | Authors: | Zwama, M, Sakurai, K, Hayashi, K, Nakashima, R, Kitagawa, K, Nishino, K, Yamaguchi, A. | | Deposit date: | 2017-10-05 | | Release date: | 2017-11-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Hoisting-Loop in Bacterial Multidrug Exporter AcrB Is a Highly Flexible Hinge That Enables the Large Motion of the Subdomains.
Front Microbiol, 8, 2017
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5XOF
 | | Crystal structure of human paired immunoglobulin-like type 2 receptor alpha with synthesized glycopeptide I | | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-6)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Paired immunoglobulin-like type 2 receptor alpha, Peptide from Nitric oxide synthase, ... | | Authors: | Furukawa, A, Kakita, K, Yamada, T, Ishizuka, M, Sakamoto, J, Hatori, N, Maeda, N, Ohsaka, F, Saitoh, T, Nomura, T, Kuroki, K, Nambu, H, Arase, H, Matsunaga, H, Anada, M, Ose, T, Hashimoto, S, Maenaka, K. | | Deposit date: | 2017-05-28 | | Release date: | 2017-10-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.963 Å) | | Cite: | Structural and thermodynamic analyses reveal critical features of glycopeptide recognition by the human PILR alpha immune cell receptor.
J. Biol. Chem., 292, 2017
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