3W91
 
 | | crystal structure of SeMet-labeled yeast N-acetyltransferase Mpr1 L87M mutant | | Descriptor: | MPR1 protein | | Authors: | Nasuno, R, Hirano, Y, Itoh, T, Hakoshima, T, Hibi, T, Takagi, H. | | Deposit date: | 2013-03-23 | | Release date: | 2013-07-17 | | Last modified: | 2013-08-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and functional analysis of the yeast N-acetyltransferase Mpr1 involved in oxidative stress tolerance via proline metabolism
Proc.Natl.Acad.Sci.USA, 110, 2013
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3WLV
 | | Thermostable urate oxidase from Bacillus sp. TB-90 | | Descriptor: | 8-AZAXANTHINE, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Hibi, T, Hayashi, Y, Itoh, T. | | Deposit date: | 2013-11-14 | | Release date: | 2014-06-18 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.747 Å) | | Cite: | Intersubunit salt bridges with a sulfate anion control subunit dissociation and thermal stabilization of Bacillus sp. TB-90 urate oxidase.
Biochemistry, 53, 2014
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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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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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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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2E9Q
 | | Recombinant pro-11S globulin of pumpkin | | Descriptor: | 11S globulin subunit beta, CHLORIDE ION, PHOSPHATE ION | | Authors: | Fukuda, T, Prak, K, Itoh, T, Masuda, T, Maruyama, N, Mikami, B, Utsumi, S. | | Deposit date: | 2007-01-26 | | Release date: | 2008-02-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Conservation and divergence on plant seed 11S globulins based on crystal structures.
Biochim.Biophys.Acta, 2010
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2ZUX
 | | Crystal structure of rhamnogalacturonan lyase YesW complexed with rhamnose | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, YesW protein, ... | | Authors: | Ochiai, A, Itoh, T, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2008-10-28 | | Release date: | 2009-02-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Structural determinants responsible for substrate recognition and mode of action in family 11 polysaccharide lyases
J.Biol.Chem., 284, 2009
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2Z8S
 | | Crystal structure of rhamnogalacturonan lyase YesW complexed with digalacturonic acid | | Descriptor: | CALCIUM ION, YesW protein, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid | | Authors: | Ochiai, A, Itoh, T, Maruyama, Y, Kawamata, A, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2007-09-10 | | Release date: | 2007-10-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Novel Structural Fold in Polysaccharide Lyases: BACILLUS SUBTILIS FAMILY 11 RHAMNOGALACTURONAN LYASE YesW WITH AN EIGHT-BLADED -PROPELLER
J.Biol.Chem., 282, 2007
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2Z8R
 | | Crystal structure of rhamnogalacturonan lyase YesW at 1.40 A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, YesW protein | | Authors: | Ochiai, A, Itoh, T, Maruyama, Y, Kawamata, A, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2007-09-10 | | Release date: | 2007-10-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A Novel Structural Fold in Polysaccharide Lyases: BACILLUS SUBTILIS FAMILY 11 RHAMNOGALACTURONAN LYASE YesW WITH AN EIGHT-BLADED -PROPELLER
J.Biol.Chem., 282, 2007
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2ZUY
 | | Crystal structure of exotype rhamnogalacturonan lyase YesX | | Descriptor: | CALCIUM ION, YesX protein | | Authors: | Ochiai, A, Itoh, T, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2008-10-28 | | Release date: | 2009-02-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural determinants responsible for substrate recognition and mode of action in family 11 polysaccharide lyases
J.Biol.Chem., 284, 2009
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3WAB
 | | Carboxypeptidase B in complex with DD2 | | Descriptor: | (2R)-7-amino-2-(sulfanylmethyl)heptanoic acid, CACODYLATE ION, Carboxypeptidase B, ... | | Authors: | Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K. | | Deposit date: | 2013-05-01 | | Release date: | 2013-10-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.154 Å) | | Cite: | Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme.
J.Med.Chem., 56, 2013
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7WOX
 | | PPARgamma antagonist (MMT-160)- PPARgamma LBD complex | | Descriptor: | N-[[5-(3-phenylprop-2-ynoylamino)-2-propoxy-phenyl]methyl]-4-pyrimidin-2-yl-benzamide, Peroxisome proliferator-activated receptor gamma | | Authors: | Yoshizawa, M, Aoyama, T, Itoh, T, Miyachi, H. | | Deposit date: | 2022-01-22 | | Release date: | 2022-04-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Arylalkynyl amide-type peroxisome proliferator-activated receptor gamma (PPAR gamma )-selective antagonists covalently bind to the PPAR gamma ligand binding domain with a unique binding mode.
Bioorg.Med.Chem.Lett., 64, 2022
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3VU1
 | | Crystal structure of the C-terminal globular domain of oligosaccharyltransferase (PhAglB-L, O74088_PYRHO) from Pyrococcus horikoshii | | Descriptor: | CALCIUM ION, CHLORIDE ION, Putative uncharacterized protein PH0242 | | Authors: | Nyirenda, J, Matsumoto, S, Saitoh, T, Maita, N, Noda, N.N, Inagaki, F, Kohda, D. | | Deposit date: | 2012-06-13 | | Release date: | 2013-01-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystallographic and NMR Evidence for Flexibility in Oligosaccharyltransferases and Its Catalytic Significance
Structure, 21, 2013
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3VLV
 | | Crystal structure of Sphingomonas sp. A1 alginate-binding ptotein AlgQ1 in complex with unsaturated triguluronate | | Descriptor: | 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid, AlgQ1, CALCIUM ION | | Authors: | Nishitani, Y, Maruyama, Y, Itoh, T, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2011-12-05 | | Release date: | 2012-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Recognition of heteropolysaccharide alginate by periplasmic solute-binding proteins of a bacterial ABC transporter
Biochemistry, 51, 2012
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3WC7
 | | Carboxypeptidase B in complex with EF6265 | | Descriptor: | (2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid, Carboxypeptidase B, ZINC ION | | Authors: | Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K. | | Deposit date: | 2013-05-24 | | Release date: | 2013-10-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme.
J.Med.Chem., 56, 2013
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3WC5
 | | Carboxypeptidase B in complex with DD9 | | Descriptor: | (2R)-7-amino-2-(selanylmethyl)heptanoic acid, CACODYLATE ION, Carboxypeptidase B, ... | | Authors: | Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K. | | Deposit date: | 2013-05-24 | | Release date: | 2013-10-02 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme.
J.Med.Chem., 56, 2013
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3WT5
 | | A mixed population of antagonist and agonist binding conformers in a single crystal explains partial agonism against vitamin D receptor: Active vitamin D analogues with 22R-alkyl group | | Descriptor: | (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Anami, Y, Itoh, T, Yamamoto, K. | | Deposit date: | 2014-04-08 | | Release date: | 2014-06-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | A Mixed Population of Antagonist and Agonist Binding Conformers in a Single Crystal Explains Partial Agonism against Vitamin D Receptor: Active Vitamin D Analogues with 22R-Alkyl Group.
J.Med.Chem., 57, 2014
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3WT7
 | | Crystal structure of VDR-LBD complexed with 22R-Butyl-2-methylidene-26,27-dimethyl-19,24-dinor-1 ,25-dihydroxyvitamin D3 | | Descriptor: | (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-5-ethyl-5-hydroxyheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Anami, Y, Itoh, T, Yamamoto, K. | | Deposit date: | 2014-04-08 | | Release date: | 2014-06-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Mixed Population of Antagonist and Agonist Binding Conformers in a Single Crystal Explains Partial Agonism against Vitamin D Receptor: Active Vitamin D Analogues with 22R-Alkyl Group.
J.Med.Chem., 57, 2014
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3WT6
 | | A mixed population of antagonist and agonist binding conformers in a single crystal explains partial agonism against vitamin D receptor: Active vitamin D analogues with 22R-alkyl group | | Descriptor: | (1R,3R,7E,17beta)-17-[(2R,3R)-3-butyl-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Mediator of RNA polymerase II transcription subunit 1, Vitamin D3 receptor | | Authors: | Anami, Y, Itoh, T, Yamamoto, K. | | Deposit date: | 2014-04-08 | | Release date: | 2014-06-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Mixed Population of Antagonist and Agonist Binding Conformers in a Single Crystal Explains Partial Agonism against Vitamin D Receptor: Active Vitamin D Analogues with 22R-Alkyl Group.
J.Med.Chem., 57, 2014
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3WC6
 | | Carboxypeptidase B in complex with 2nd zinc | | Descriptor: | ACETATE ION, Carboxypeptidase B, ZINC ION | | Authors: | Yoshimoto, N, Itoh, T, Inaba, Y, Yamamoto, K. | | Deposit date: | 2013-05-24 | | Release date: | 2013-10-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural basis for inhibition of carboxypeptidase B by selenium-containing inhibitor: selenium coordinates to zinc in enzyme.
J.Med.Chem., 56, 2013
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3X1H
 | | hPPARgamma Ligand binding domain in complex with 5-oxo-tricosahexaenoic acid | | Descriptor: | (7E,11Z,14Z,17Z,20Z)-5-oxotricosa-7,11,14,17,20-pentaenoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Egawa, D, Itoh, T, Yamamoto, K. | | Deposit date: | 2014-11-18 | | Release date: | 2015-04-08 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Characterization of covalent bond formation between PPAR gamma and oxo-fatty acids.
Bioconjug.Chem., 26, 2015
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3X1I
 | | hPPARgamma Ligand binding domain in complex with 6-oxo-tetracosahexaenoic acid | | Descriptor: | (8E,12Z,15Z,18Z,21Z)-6-oxotetracosa-8,12,15,18,21-pentaenoic acid, Peroxisome proliferator-activated receptor gamma | | Authors: | Egawa, D, Itoh, T, Yamamoto, K. | | Deposit date: | 2014-11-18 | | Release date: | 2015-04-08 | | Last modified: | 2022-08-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Characterization of covalent bond formation between PPAR gamma and oxo-fatty acids.
Bioconjug.Chem., 26, 2015
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