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6L88
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BU of 6l88 by Molmil
Crystal structure of mineralocorticoid receptor ligand binding domain in complex with esaxerenone
Descriptor: 1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide, Mineralocorticoid receptor
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2019-11-05
Release date:2020-02-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the mineralocorticoid receptor ligand-binding domain in complex with a potent and selective nonsteroidal blocker, esaxerenone (CS-3150).
Febs Lett., 594, 2020
2YSO
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BU of 2yso by Molmil
Solution structure of the C2H2 type zinc finger (region 656-688) of human Zinc finger protein 95 homolog
Descriptor: ZINC ION, Zinc finger protein 95 homolog
Authors:Takahashi, M, Kuwasako, K, Tsuda, K, Tanabe, W, Harada, T, Watanabe, S, Tochio, N, Muto, Y, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-03
Release date:2007-10-09
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure of the C2H2 type zinc finger (region 656-688) of human Zinc finger protein 95 homolog
To be Published
2YSP
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BU of 2ysp by Molmil
Solution structure of the C2H2 type zinc finger (region 507-539) of human Zinc finger protein 224
Descriptor: ZINC ION, Zinc finger protein 224
Authors:Takahashi, M, Kuwasako, K, Tsuda, K, Tanabe, W, Harada, T, Watanabe, S, Tochio, N, Muto, Y, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-04-03
Release date:2007-10-09
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure of the C2H2 type zinc finger (region 507-539)of human Zinc finger protein 224
To be Published
2EAT
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BU of 2eat by Molmil
Crystal structure of the SR CA2+-ATPASE with bound CPA and TG
Descriptor: (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, OCTANOIC ACID [3S-[3ALPHA, 3ABETA, ...
Authors:Takahashi, M, Kondou, Y, Toyoshima, C.
Deposit date:2007-02-02
Release date:2007-03-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors
Proc.Natl.Acad.Sci.Usa, 104, 2007
2EAU
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BU of 2eau by Molmil
Crystal structure of the SR CA2+-ATPASE with bound CPA in the presence of curcumin
Descriptor: (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, PHOSPHATIDYLETHANOLAMINE, Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
Authors:Takahashi, M, Kondou, Y, Toyoshima, C.
Deposit date:2007-02-02
Release date:2007-03-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors
Proc.Natl.Acad.Sci.Usa, 104, 2007
2EAR
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BU of 2ear by Molmil
P21 crystal of the SR CA2+-ATPase with bound TG
Descriptor: OCTANOIC ACID [3S-[3ALPHA, 3ABETA, 4ALPHA, ...
Authors:Takahashi, M, Kondou, Y, Toyoshima, C.
Deposit date:2007-02-02
Release date:2007-03-27
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors
Proc.Natl.Acad.Sci.Usa, 104, 2007
8GZC
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BU of 8gzc by Molmil
Crystal structure of EP300 HAT domain in complex with compound 10
Descriptor: (2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2022-09-26
Release date:2023-01-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of DS-9300: A Highly Potent, Selective, and Once-Daily Oral EP300/CBP Histone Acetyltransferase Inhibitor.
J.Med.Chem., 66, 2023
2MGZ
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BU of 2mgz by Molmil
Solution structure of RBFOX family ASD-1 RRM and SUP-12 RRM in ternary complex with RNA
Descriptor: Protein ASD-1, isoform a, Protein SUP-12, ...
Authors:Takahashi, M, Kuwasako, K, Unzai, S, Tsuda, K, Yoshikawa, S, He, F, Kobayashi, N, Guntert, P, Shirouzu, M, Ito, T, Tanaka, A, Yokoyama, S, Hagiwara, M, Kuroyanagi, H, Muto, Y.
Deposit date:2013-11-12
Release date:2014-08-13
Last modified:2015-03-18
Method:SOLUTION NMR
Cite:RBFOX and SUP-12 sandwich a G base to cooperatively regulate tissue-specific splicing
Nat.Struct.Mol.Biol., 21, 2014
6LUR
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BU of 6lur by Molmil
Human PUF60 UHM domain (thioredoxin fusion) in complex with a small molecule binder
Descriptor: 4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one, Thioredoxin 1,Poly(U)-binding-splicing factor PUF60
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2020-01-30
Release date:2020-04-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Revisiting biomolecular NMR spectroscopy for promoting small-molecule drug discovery.
J.Biomol.Nmr, 74, 2020
2RNE
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BU of 2rne by Molmil
Solution structure of the second RNA recognition motif (RRM) of TIA-1
Descriptor: Tia1 protein
Authors:Takahashi, M, Kuwasako, K, Abe, C, Tsuda, K, Inoue, M, Terada, T, Shirouzu, M, Kobayashi, N, Kigawa, T, Taguchi, S, Guntert, P, Hayashizaki, Y, Tanaka, A, Muto, Y, Yokoyama, S.
Deposit date:2007-12-19
Release date:2008-11-04
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Solution structure of the second RNA recognition motif (RRM) domain of murine T cell intracellular antigen-1 (TIA-1) and its RNA recognition mode
Biochemistry, 47, 2008
2RU3
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BU of 2ru3 by Molmil
Solution structure of c.elegans SUP-12 RRM in complex with RNA
Descriptor: Protein SUP-12, isoform a, RNA (5'-R(*GP*UP*GP*UP*GP*C)-3')
Authors:Takahashi, M, Kuwasako, K, Unzai, S, Tsuda, K, Yoshikawa, S, He, F, Kobayashi, N, Guntert, P, Shirouzu, M, Ito, T, Tanaka, A, Yokoyama, S, Hagiwara, M, Kuroyanagi, H, Muto, Y.
Deposit date:2013-11-12
Release date:2014-08-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:RBFOX and SUP-12 sandwich a G base to cooperatively regulate tissue-specific splicing
Nat.Struct.Mol.Biol., 21, 2014
6J6Y
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BU of 6j6y by Molmil
FGFR4 D2 - Fab complex
Descriptor: Fab Heavy chain, Fab light chain, Fibroblast growth factor receptor 4
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2019-01-16
Release date:2019-08-07
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Preclinical Development of U3-1784, a Novel FGFR4 Antibody Against Cancer, and Avoidance of Its On-target Toxicity.
Mol.Cancer Ther., 18, 2019
3KC0
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BU of 3kc0 by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 10b
Descriptor: Fructose-1,6-bisphosphatase 1, [(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid
Authors:Takahashi, M, Sone, J, Hanzawa, H.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KBZ
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BU of 3kbz by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 6
Descriptor: Fructose-1,6-bisphosphatase 1, {[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
Authors:Takahashi, M, Sone, J, Hanzawa, H.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
3KC1
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BU of 3kc1 by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor 19a
Descriptor: Fructose-1,6-bisphosphatase 1, {[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
Authors:Takahashi, M, Sone, J, Hanzawa, H.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
7D6Q
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BU of 7d6q by Molmil
Crystal structure of the Stx2a
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, Shiga toxin 2 B subunit, rRNA N-glycosylase
Authors:Takahashi, M, Tamada, M, Hibino, M, Senda, M, Okuda, A, Miyazawa, A, Senda, T, Nishikawa, K.
Deposit date:2020-10-01
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Identification of a peptide motif that potently inhibits two functionally distinct subunits of Shiga toxin.
Commun Biol, 4, 2021
7D6R
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BU of 7d6r by Molmil
Crystal structure of the Stx2a complexed with MMA betaAla peptide
Descriptor: 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, MMA betaAla peptide, Shiga toxin 2 B subunit, ...
Authors:Takahashi, M, Tamada, M, Hibino, M, Senda, M, Okuda, A, Miyazawa, A, Senda, T, Nishikawa, K.
Deposit date:2020-10-01
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Identification of a peptide motif that potently inhibits two functionally distinct subunits of Shiga toxin.
Commun Biol, 4, 2021
8HVA
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BU of 8hva by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound compound 14
Descriptor: Epidermal growth factor receptor, ~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide
Authors:Takahashi, M, Dokurno, P.
Deposit date:2022-12-26
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 2023
3W5E
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BU of 3w5e by Molmil
Crystal structure of phosphodiesterase 4B in complex with compound 31e
Descriptor: CALCIUM ION, N-tert-butyl-2-{4-[(5,5-dioxido-2-phenyl-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidin-4-yl)amino]phenyl}acetamide, ZINC ION, ...
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2013-01-28
Release date:2013-05-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of the fused bicyclic 4-amino-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors
Bioorg.Med.Chem.Lett., 23, 2013
3WD9
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BU of 3wd9 by Molmil
Crystal structure of phosphodiesterase 4B in complex with compound 10f
Descriptor: 4-[(4-{2-[(2,2-dimethylpropyl)amino]-2-oxoethyl}phenyl)amino]-2-phenylpyrimidine-5-carboxamide, CALCIUM ION, ZINC ION, ...
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2013-06-11
Release date:2013-10-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Synthesis and biological evaluation of 5-carbamoyl-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors
Bioorg.Med.Chem., 21, 2013
4YCL
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BU of 4ycl by Molmil
Crystal structure of the SR CA2+-ATPASE with bound CPA
Descriptor: (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Ogawa, H, Takahashi, M, Kondou, Y, Toyoshima, C.
Deposit date:2015-02-20
Release date:2015-04-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:Interdomain communication in calcium pump as revealed in the crystal structures with transmembrane inhibitors
Proc.Natl.Acad.Sci.Usa, 104, 2007
7VI0
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BU of 7vi0 by Molmil
Crystal structure of EP300 HAT domain in complex with compound 11
Descriptor: (4S)-N-(3H-indazol-4-yl)-3-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-1,1-bis(oxidanylidene)-1,3-thiazolidine-4-carboxamide, Histone acetyltransferase p300, ZINC ION
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2021-09-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
7VHY
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BU of 7vhy by Molmil
Crystal structure of EP300 HAT domain in complex with compound (+)-3
Descriptor: Histone acetyltransferase p300, ZINC ION, [(6R)-6-(1H-indazol-4-ylmethyl)-1,4-oxazepan-4-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2021-09-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
7VHZ
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BU of 7vhz by Molmil
Crystal structure of EP300 HAT domain in complex with compound 7
Descriptor: (2R)-N-(2H-indazol-4-yl)-1-[1-(4-methoxyphenyl)cyclopentyl]carbonyl-pyrrolidine-2-carboxamide, Histone acetyltransferase p300, ZINC ION
Authors:Takahashi, M, Hanzawa, H.
Deposit date:2021-09-24
Release date:2022-04-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of EP300/CBP histone acetyltransferase inhibitors through scaffold hopping of 1,4-oxazepane ring.
Bioorg.Med.Chem.Lett., 66, 2022
3A29
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BU of 3a29 by Molmil
Crystal structure of human liver FBPase in complex with tricyclic inhibitor
Descriptor: 2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate, Fructose-1,6-bisphosphatase 1
Authors:Takahashi, M, Sone, J, Hanzawa, H.
Deposit date:2009-05-08
Release date:2009-10-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Synthesis, SAR, and X-ray structure of tricyclic compounds as potent FBPase inhibitors
Bioorg.Med.Chem.Lett., 19, 2009

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