1IS5
 
 | | Ligand free Congerin II | | Descriptor: | Congerin II | | Authors: | Shirai, T, Matsui, Y, Shionyu-Mitsuyama, C, Yamane, T, Kamiya, H, Ishii, C, Ogawa, T, Muramoto, K. | | Deposit date: | 2001-11-12 | | Release date: | 2002-09-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of a conger eel galectin (congerin II) at 1.45 A resolution: Implication for the accelerated evolution of a new ligand-binding site following gene duplication
J.MOL.BIOL., 321, 2002
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1IS6
 | | MES-Liganded Congerin II | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Congerin II | | Authors: | Shirai, T, Matsui, Y, Shionyu-Mitsuyama, C, Yamane, T, Kamiya, H, Ishii, C, Ogawa, T, Muramoto, K. | | Deposit date: | 2001-11-12 | | Release date: | 2002-09-18 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a conger eel galectin (congerin II) at 1.45 A resolution: Implication for the accelerated evolution of a new ligand-binding site following gene duplication
J.MOL.BIOL., 321, 2002
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3VYE
 | | Human renin in complex with inhibitor 7 | | Descriptor: | (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(3-methylbutyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Takahashi, M, Matsui, Y, Hanzawa, H. | | Deposit date: | 2012-09-24 | | Release date: | 2012-12-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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3VUC
 | | Human renin in complex with compound 5 | | Descriptor: | (2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Takahashi, M, Matsui, Y, Hanzawa, H. | | Deposit date: | 2012-06-26 | | Release date: | 2013-05-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of DS-8108b, a Novel Orally Bioavailable Renin Inhibitor.
Acs Med.Chem.Lett., 3, 2012
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1IW6
 | | Crystal Structure of the Ground State of Bacteriorhodopsin | | Descriptor: | 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, 2,3-DI-PHYTANYL-GLYCEROL, RETINAL, ... | | Authors: | Kouyama, T, Okumura, H, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-04-22 | | Release date: | 2002-12-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Specific Damage Induced by X-ray Radiation and Structural Changes in the Primary
Photoreaction of Bacteriorhodopsin.
J.Mol.Biol., 324, 2002
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4RHR
 | | Crystal structure of PltB | | Descriptor: | ACETATE ION, Putative pertussis-like toxin subunit | | Authors: | Gao, X, Wang, J, Galan, J. | | Deposit date: | 2014-10-02 | | Release date: | 2014-10-29 | | Last modified: | 2014-12-17 | | Method: | X-RAY DIFFRACTION (2.079 Å) | | Cite: | Host adaptation of a bacterial toxin from the human pathogen salmonella typhi.
Cell(Cambridge,Mass.), 159, 2014
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4RHS
 | | Crystal structure of GD2 bound PltB | | Descriptor: | ACETATE ION, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, Putative pertussis-like toxin subunit | | Authors: | Gao, X, Wang, J, Galan, J. | | Deposit date: | 2014-10-02 | | Release date: | 2014-10-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9211 Å) | | Cite: | Host adaptation of a bacterial toxin from the human pathogen salmonella typhi.
Cell(Cambridge,Mass.), 159, 2014
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7XLP
 | | MEK1 bound to DS03090629 | | Descriptor: | (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | | Deposit date: | 2022-04-22 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
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7XNC
 | | MEK1 bound to DS94070624 | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | | Deposit date: | 2022-04-28 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
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6KG2
 | | Human MTHFD2 in complex with Compound 18 | | Descriptor: | Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide, ... | | Authors: | Suzuki, M, Matsui, Y, Ota, M, Kawai, J. | | Deposit date: | 2019-07-10 | | Release date: | 2019-11-13 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity.
J.Med.Chem., 62, 2019
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7XY8
 | | Crystal structure of antibody Fab fragment in complex with CD147(EMMPIRIN) | | Descriptor: | Isoform 2 of Basigin, heavy chain, light chain | | Authors: | Nakamura, K, Amano, M, Yoneda, K, Suzuki, M, Fukuchi, K. | | Deposit date: | 2022-06-01 | | Release date: | 2022-11-23 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Novel Antibody Exerts Antitumor Effect through Downregulation of CD147 and Activation of Multiple Stress Signals.
J Oncol, 2022, 2022
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5WHT
 | | Crystal structure of 3'SL bound PltB | | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, N-acetyl-alpha-neuraminic acid, ... | | Authors: | Gao, X, Galan, J.E. | | Deposit date: | 2017-07-18 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.932 Å) | | Cite: | Evolution of host adaptation in the Salmonella typhoid toxin.
Nat Microbiol, 2, 2017
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5WHU
 | | Crystal structure of 3'SL bound ArtB | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ArtB protein, ... | | Authors: | Gao, X, Galan, J.E. | | Deposit date: | 2017-07-18 | | Release date: | 2017-10-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Evolution of host adaptation in the Salmonella typhoid toxin.
Nat Microbiol, 2, 2017
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5WHV
 | | Crystal structure of ArtB | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ArtB protein, CALCIUM ION, ... | | Authors: | Gao, X, Galan, J.E. | | Deposit date: | 2017-07-18 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.303 Å) | | Cite: | Evolution of host adaptation in the Salmonella typhoid toxin.
Nat Microbiol, 2, 2017
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1QM8
 | | Structure of Bacteriorhodopsin at 100 K | | Descriptor: | 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE, 2,3-DI-PHYTANYL-GLYCEROL, 3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL, ... | | Authors: | Takeda, K, Matsui, Y, Sato, H, Hino, T, Kanamori, E, Okumura, H, Yamane, T, Kamiya, N, Kouyama, T. | | Deposit date: | 1999-09-22 | | Release date: | 2000-08-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Novel Three-Dimensional Crystal of Bacteriorhodopsin Obtained by Successive Fusion of the Vesicular Assemblies.
J.Mol.Biol., 283, 1998
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8ZNG
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8ZNE
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8ZNB
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8ZNC
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8ZND
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1IPG
 | | SOLUTION STRUCTURE OF THE PB1 DOMAIN OF BEM1P | | Descriptor: | BEM1 PROTEIN | | Authors: | Terasawa, H, Noda, Y, Ito, T, Hatanaka, H, Ichikawa, S, Ogura, K, Sumimoto, H, Inagaki, F. | | Deposit date: | 2001-05-14 | | Release date: | 2001-08-15 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structure and ligand recognition of the PB1 domain: a novel protein module binding to the PC motif.
EMBO J., 20, 2001
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1IP9
 | | SOLUTION STRUCTURE OF THE PB1 DOMAIN OF BEM1P | | Descriptor: | BEM1 PROTEIN | | Authors: | Terasawa, H, Noda, Y, Ito, T, Hatanaka, H, Ichikawa, S, Ogura, K, Sumimoto, H, Inagaki, F. | | Deposit date: | 2001-04-26 | | Release date: | 2001-08-15 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structure and ligand recognition of the PB1 domain: a novel protein module binding to the PC motif.
EMBO J., 20, 2001
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3VYD
 | | Human renin in complex with inhibitor 6 | | Descriptor: | (3S,5R)-5-{[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]methyl}-N-(3-methylbutyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2012-09-24 | | Release date: | 2012-12-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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3VYF
 | | Human renin in complex with inhibitor 9 | | Descriptor: | (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(2,6-dimethylheptan-4-yl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Takahashi, M, Hanzawa, H. | | Deposit date: | 2012-09-24 | | Release date: | 2012-12-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors
Bioorg.Med.Chem.Lett., 22, 2012
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