3WLV
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![BU of 3wlv by Molmil](/molmil-images/mine/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
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![BU of 3wyy by Molmil](/molmil-images/mine/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
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![BU of 3wzj by Molmil](/molmil-images/mine/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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3VW4
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![BU of 3vw4 by Molmil](/molmil-images/mine/3vw4) | Crystal structure of the DNA-binding domain of ColE2-P9 Rep in complex with the replication origin | Descriptor: | DNA (5'-D(P*AP*AP*TP*GP*AP*GP*AP*CP*CP*AP*GP*AP*TP*AP*AP*GP*CP*CP*TP*TP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*AP*AP*GP*GP*CP*TP*TP*AP*TP*CP*TP*GP*GP*TP*CP*TP*CP*AP*TP*T)-3'), Rep, ... | Authors: | Itou, H, Yagura, M, Itoh, T, Shirakihara, Y. | Deposit date: | 2012-07-31 | Release date: | 2013-07-31 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis for Replication Origin Unwinding by An Initiator-Primase of Plasmid ColE2-P9: Duplex DNA Unwinding by A Single Protein J.Biol.Chem., 290, 2015
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3A74
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![BU of 3a74 by Molmil](/molmil-images/mine/3a74) | Lysyl-tRNA synthetase from Bacillus stearothermophilus complexed with Diadenosine Tetraphosphate (AP4A) | Descriptor: | 2,6-DIAMINO-HEXANOIC ACID AMIDE, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Lysyl-tRNA synthetase, ... | Authors: | Sakurama, H, Takita, T, Mikami, B, Itoh, T, Yasukawa, K, Inouye, K. | Deposit date: | 2009-09-13 | Release date: | 2010-09-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structure of Lysyl-tRNA Synthetase from Bacillus stearothermophilus in Complex with Diadenosine Tetraphosphate (AP4A): Insights into AP4A Synthesis Mechanisms and Implication for Recognition of Discriminator Base of tRNA^Lys To be Published
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3WAB
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![BU of 3wab by Molmil](/molmil-images/mine/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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3VU0
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![BU of 3vu0 by Molmil](/molmil-images/mine/3vu0) | Crystal structure of the C-terminal globular domain of oligosaccharyltransferase (AfAglB-S2, AF_0040, O30195_ARCFU) from Archaeoglobus fulgidus | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Putative uncharacterized protein | 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: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Crystallographic and NMR Evidence for Flexibility in Oligosaccharyltransferases and Its Catalytic Significance Structure, 21, 2013
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2ZUY
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![BU of 2zuy by Molmil](/molmil-images/mine/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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3VLU
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![BU of 3vlu by Molmil](/molmil-images/mine/3vlu) | Crystal structure of Sphingomonas sp. A1 alginate-binding protein AlgQ1 in complex with saturated trimannuronate | Descriptor: | AlgQ1, CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid | 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 (1.55 Å) | Cite: | Recognition of heteropolysaccharide alginate by periplasmic solute-binding proteins of a bacterial ABC transporter Biochemistry, 51, 2012
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3VU1
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![BU of 3vu1 by Molmil](/molmil-images/mine/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
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![BU of 3vlv by Molmil](/molmil-images/mine/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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2Z8R
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![BU of 2z8r by Molmil](/molmil-images/mine/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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2Z8S
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![BU of 2z8s by Molmil](/molmil-images/mine/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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2ZUX
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![BU of 2zux by Molmil](/molmil-images/mine/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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3WC5
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![BU of 3wc5 by Molmil](/molmil-images/mine/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
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![BU of 3wt5 by Molmil](/molmil-images/mine/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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3WC7
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![BU of 3wc7 by Molmil](/molmil-images/mine/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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3VLW
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![BU of 3vlw by Molmil](/molmil-images/mine/3vlw) | Crystal structure of Sphingomonas sp. A1 alginate-binding protein AlgQ1 in complex with mannuronate-guluronate disaccharide | Descriptor: | AlgQ1, CALCIUM ION, GLYCEROL, ... | 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 (2 Å) | Cite: | Recognition of heteropolysaccharide alginate by periplasmic solute-binding proteins of a bacterial ABC transporter Biochemistry, 51, 2012
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3WT6
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![BU of 3wt6 by Molmil](/molmil-images/mine/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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3WT7
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![BU of 3wt7 by Molmil](/molmil-images/mine/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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3WC6
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![BU of 3wc6 by Molmil](/molmil-images/mine/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
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![BU of 3x1h by Molmil](/molmil-images/mine/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
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![BU of 3x1i by Molmil](/molmil-images/mine/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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6LUT
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![BU of 6lut by Molmil](/molmil-images/mine/6lut) | |
3AQA
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![BU of 3aqa by Molmil](/molmil-images/mine/3aqa) | Crystal structure of the human BRD2 BD1 bromodomain in complex with a BRD2-interactive compound, BIC1 | Descriptor: | 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2 | Authors: | Umehara, T, Nakamura, Y, Terada, T, Shirouzu, M, Padmanabhan, B, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2010-10-27 | Release date: | 2011-05-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Real-Time Imaging of Histone H4K12-Specific Acetylation Determines the Modes of Action of Histone Deacetylase and Bromodomain Inhibitors Chem.Biol., 18, 2011
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