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3VQU
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 4-[(4-AMINO-5-CYANO-6-ETHOXYPYRIDIN-2- YL)AMINO]BENZAMIDE
Descriptor:Dual specificity protein kinase TTK, IODIDE ION, 4-[(4-amino-5-cyano-6-ethoxypyridin-2-yl)amino]benzamide
Authors:Kusakabe, K., Ide, N., Daigo, Y., Itoh, T., Higashino, K., Okano, Y., Tadano, G., Tachibana, Y., Sato, Y., Inoue, M., Wada, T., Iguchi, M., Kanazawa, T., Ishioka, Y., Dohi, K., Tagashira, S., Kido, Y., Sakamoto, S., Yasuo, K., Maeda, M., Yamamoto, T., Higaki, M., Endoh, T., Ueda, K., Shiota, T., Murai, H., Nakamura, Y.
Deposit date:2012-03-30
Release date:2012-06-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Diaminopyridine-Based Potent and Selective Mps1 Kinase Inhibitors Binding to an Unusual Flipped-Peptide Conformation
ACS MED.CHEM.LETT., 2012
3W1F
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CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH 5-(5-ETHOXY-6-(1-METHYL-1H-PYRAZOL-4-YL)-1H-INDAZOL-3-YL)-2-METHYLBENZENESULFONAMIDE
Descriptor:Dual specificity protein kinase TTK, 5-[5-ethoxy-6-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-2-methylbenzenesulfonamide
Authors:Kusakabe, K., Ide, N., Daigo, Y., Tachibana, Y., Itoh, T., Yamamoto, T., Hashizume, H., Hato, Y., Higashino, K., Okano, Y., Sato, Y., Inoue, M., Iguchi, M., Kanazawa, T., Ishioka, Y., Dohi, K., Kido, Y., Sakamoto, S., Yasuo, K., Maeda, M., Higaki, M., Ueda, K., Yoshizawa, H., Baba, Y., Shiota, T., Murai, H., Nakamura, Y.
Deposit date:2012-11-14
Release date:2013-06-26
Last modified:2014-04-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125)
J.Med.Chem., 56, 2013
3WMG
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CRYSTAL STRUCTURE OF AN INWARD-FACING EUKARYOTIC ABC MULTIDRUG TRANSPORTER G277V/A278V/A279V MUTANT IN COMPLEX WITH AN CYCLIC PEPTIDE INHIBITOR, ACAP
Descriptor:ATP-binding cassette, sub-family B, member 1, ...
Authors:Kodan, A., Yamaguchi, T., Nakatsu, T., Sakiyama, K., Hipolito, C.J., Fujioka, A., Hirokane, R., Ikeguchi, K., Watanabe, B., Hirtake, J., Kimura, Y., Suga, H., Ueda, K., Kato, H.
Deposit date:2013-11-18
Release date:2014-04-30
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for gating mechanisms of a eukaryotic P-glycoprotein homolog.
Proc.Natl.Acad.Sci.USA, 111, 2014
6GF0
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LYSOZYME STRUCTURE DETERMINED FROM SFX DATA USING A SHEET-ON-SHEET CHIPLESS CHIP
Descriptor:Lysozyme C
Authors:Doak, R.B., Gorel, A., Foucar, L., Gruenbein, M.L., Hilpert, M., Kloos, M., Nass Kovacs, G., Roome, C., Shoeman, R.L., Stricker, M., Tono, K., You, D., Ueda, K., Sherrel, D., Owen, R., Barends, T.R.M., Schlichting, I.
Deposit date:2018-04-27
Release date:2018-10-17
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018
6HAL
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HUMAN CARBONMONOXY HEMOGLOBIN SFX DATASET
Descriptor:Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Doak, B., Gorel, A., Foucar, L., Barends, T.R.M., Gruenbein, M.L., Hilpert, M., Kloos, M., Nass Kovacs, G., Roome, C.M., Shoeman, R.L., Stricker, M., Tono, K., You, D., Ueda, K., Sherrell, D.A., Owen, R.L., Schlichting, I.
Deposit date:2018-08-07
Release date:2018-10-17
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallography on a chip - without the chip: sheet-on-sheet sandwich.
Acta Crystallogr D Struct Biol, 74, 2018
3WHP
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CRYSTAL STRUCTURE OF THE C-TERMINAL DOMAIN OF THEMUS THERMOPHILUS LITR IN COMPLEX WITH COBALAMIN
Descriptor:Probable transcriptional regulator, COBALAMIN
Authors:Agari, Y., Takano, H., Beppu, T., Ueda, K., Shinkai, A.
Deposit date:2013-08-30
Release date:2014-09-03
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Crystal structure of the C-terminal domain of Themus thermophilus LitR in complex with cobalamin
To be Published
5OER
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HEN EGG-WHITE LYSOZYME REFINED AGAINST 5000 9 KEV DIFFRACTION PATTERNS
Descriptor:Lysozyme C, 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, GADOLINIUM ATOM, ...
Authors:Gorel, A., Schlichting, I.
Deposit date:2017-07-09
Release date:2017-10-25
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multi-wavelength anomalous diffraction de novo phasing using a two-colour X-ray free-electron laser with wide tunability.
Nat Commun, 8, 2017
3WME
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CRYSTAL STRUCTURE OF AN INWARD-FACING EUKARYOTIC ABC MULTIDRUG TRANSPORTER
Descriptor:ATP-binding cassette, sub-family B, member 1, ...
Authors:Kodan, A., Yamaguchi, T., Nakatsu, T., Kato, H.
Deposit date:2013-11-18
Release date:2014-03-19
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Structural basis for gating mechanisms of a eukaryotic P-glycoprotein homolog.
Proc.Natl.Acad.Sci.USA, 111, 2014
3WMF
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CRYSTAL STRUCTURE OF AN INWARD-FACING EUKARYOTIC ABC MULTITRUG TRANSPORTER G277V/A278V/A279V MUTANT
Descriptor:ATP-binding cassette, sub-family B, member 1, ...
Authors:Kodan, A., Yamaguchi, T., Nakatsu, T., Kato, H.
Deposit date:2013-11-18
Release date:2014-03-19
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for gating mechanisms of a eukaryotic P-glycoprotein homolog.
Proc.Natl.Acad.Sci.USA, 2014
6A1F
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CRYSTAL STRUCTURE OF HUMAN DYRK1A IN COMPLEX WITH COMPOUND 14
Descriptor:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, 8-methoxy-5,5-dimethyl-5,6-dihydrobenzo[h]quinazolin-4-amine, ...
Authors:Baba, D., Hanzawa, H.
Deposit date:2018-06-07
Release date:2018-10-03
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28, 2018
6A1G
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CRYSTAL STRUCTURE OF HUMAN DYRK1A IN COMPLEX WITH COMPOUND 32
Descriptor:Dual specificity tyrosine-phosphorylation-regulated kinase 1A, 5,5-dimethyl-8-[1-(piperidin-4-yl)ethenyl]-5,6-dihydrobenzo[h]quinazolin-4-amine
Authors:Baba, D., Hanzawa, H.
Deposit date:2018-06-07
Release date:2018-10-03
Last modified:2018-10-24
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of DS42450411 as a potent orally active hepcidin production inhibitor: Design and optimization of novel 4-aminopyrimidine derivatives.
Bioorg. Med. Chem. Lett., 28, 2018
6A6M
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CRYSTAL STRUCTURE OF AN OUTWARD-OPEN NUCLEOTIDE-BOUND STATE OF THE EUKARYOTIC ABC MULTIDRUG TRANSPORTER CMABCB1
Descriptor:ATP-binding cassette, sub-family B, member 1, ...
Authors:Kato, H., Nakatsu, T., Kodan, A.
Deposit date:2018-06-28
Release date:2019-02-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inward- and outward-facing X-ray crystal structures of homodimeric P-glycoprotein CmABCB1.
Nat Commun, 10, 2019
6A6N
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CRYSTAL STRUCTURE OF AN INWARD-OPEN APO STATE OF THE EUKARYOTIC ABC MULTIDRUG TRANSPORTER CMABCB1
Descriptor:ATP-binding cassette, sub-family B, member 1, ...
Authors:Kato, H., Nakatsu, T., Kodan, A.
Deposit date:2018-06-28
Release date:2019-01-16
Last modified:2019-01-23
Method:X-RAY DIFFRACTION (3.02 Å)
Cite:Inward- and outward-facing X-ray crystal structures of homodimeric P-glycoprotein CmABCB1.
Nat Commun, 10, 2019
6JMF
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CRYSTAL STRUCTURE OF HUMAN TYROSINE-PROTEIN KINASE FES/FPS IN COMPLEX WITH COMPOUND 4
Descriptor:Tyrosine-protein kinase Fes/Fps, SULFATE ION, 6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide
Authors:Baba, D., Hanzawa, H.
Deposit date:2019-03-08
Release date:2019-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Novel Pyrido-pyridazinone Derivatives as FER Tyrosine Kinase Inhibitors with Antitumor Activity.
Acs Med.Chem.Lett., 10, 2019
1QTO
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1.5 A CRYSTAL STRUCTURE OF A BLEOMYCIN RESISTANCE DETERMINANT FROM BLEOMYCIN-PRODUCING STREPTOMYCES VERTICILLUS
Descriptor:BLEOMYCIN-BINDING PROTEIN
Authors:Kawano, Y., Kumagai, T., Muta, K., Matoba, Y., Davies, J., Sugiyama, M.
Deposit date:1999-06-28
Release date:2000-06-28
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The 1.5 A crystal structure of a bleomycin resistance determinant from bleomycin-producing Streptomyces verticillus.
J.Mol.Biol., 295, 2000