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5ZF9
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Structure of human dihydroorotate dehydrogenase in complex with 280-12
分子名称: 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K.
登録日2018-03-02
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
1YWN
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BU of 1ywn by Molmil
Vegfr2 in complex with a novel 4-amino-furo[2,3-d]pyrimidine
分子名称: N-{4-[4-AMINO-6-(4-METHOXYPHENYL)FURO[2,3-D]PYRIMIDIN-5-YL]PHENYL}-N'-[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]UREA, Vascular endothelial growth factor receptor 2
著者Miyazaki, Y, Matsunaga, S, Tang, J, Maeda, Y, Nakano, M, Philippe, R.J, Shibahara, M, Liu, W, Sato, H, Wang, L, Nolte, R.T.
登録日2005-02-18
公開日2005-08-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors
Bioorg.Med.Chem.Lett., 15, 2005
5ZFB
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BU of 5zfb by Molmil
Structure of human dihydroorotate dehydrogenase in complex with ascofuranone (open-form)
分子名称: 3-chloro-4,6-dihydroxy-5-[(2Z,6Z,8E)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K.
登録日2018-03-02
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
5ZF4
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BU of 5zf4 by Molmil
Structure of human dihydroorotate dehydrogenase in complex with 275-10-COOMe
分子名称: ACETATE ION, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K.
登録日2018-03-02
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
5ZFA
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BU of 5zfa by Molmil
Structure of human dihydroorotate dehydrogenase in complex with 287-12-OCOiPr
分子名称: (2E,6E)-8-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,6-dimethylocta-2,6-dien-1-yl 2-methylpropanoate, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K.
登録日2018-03-02
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
5ZF8
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BU of 5zf8 by Molmil
Structure of human dihydroorotate dehydrogenase in complex with 277-11-OAc
分子名称: (2S,3E,7E)-9-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3,7-dimethylnona-3,7-dien-2-yl acetate, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K.
登録日2018-03-02
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
5ZF7
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BU of 5zf7 by Molmil
Structure of human dihydroorotate dehydrogenase in complex with 277-9-OH
分子名称: 3-chloro-4,6-dihydroxy-5-[(2E,6E,8S)-8-hydroxy-3,7-dimethylnona-2,6-dien-1-yl]-2-methylbenzaldehyde, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ...
著者Miyazaki, Y, Inaoka, K.D, Shiba, T, Saimoto, H, Amalia, E, Kido, Y, Sakai, C, Nakamura, M, Moore, L.A, Harada, S, Kita, K.
登録日2018-03-02
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Selective Cytotoxicity of Dihydroorotate Dehydrogenase Inhibitors to Human Cancer Cells Under Hypoxia and Nutrient-Deprived Conditions.
Front Pharmacol, 9, 2018
2L1F
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BU of 2l1f by Molmil
Structure of a conserved retroviral RNA packaging element by NMR spectroscopy and cryo-electron tomography
分子名称: RNA (65-MER), RNA (66-MER)
著者Summers, M.F, Irobalieva, R.N, Tolbert, B, Smalls-Manty, A, Iyalla, K, Loeliger, K, D'Souza, V, Khant, H, Schmid, M, Garcia, E, Telesnitsky, A, Chiu, W, Miyazaki, Y.
登録日2010-07-28
公開日2010-10-27
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure of a conserved retroviral RNA packaging element by NMR spectroscopy and cryo-electron tomography.
J.Mol.Biol., 404, 2010
2KYD
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BU of 2kyd by Molmil
RDC and RCSA refinement of an A-form RNA: Improvements in Major Groove Width
分子名称: RNA (5'-R(*CP*UP*AP*GP*UP*UP*AP*GP*CP*UP*AP*AP*CP*UP*AP*G)-3')
著者Tolbert, B.S, Summers, M.F, Miyazaki, Y, Barton, S, Kinde, B, Stark, P, Singh, R, Bax, A, Case, D.
登録日2010-05-24
公開日2010-07-07
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Major groove width variations in RNA structures determined by NMR and impact of 13C residual chemical shift anisotropy and 1H-13C residual dipolar coupling on refinement.
J.Biomol.Nmr, 47, 2010
3WQU
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BU of 3wqu by Molmil
Staphylococcus aureus FtsA complexed with ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Cell division protein FtsA, MAGNESIUM ION
著者Fujita, J, Maeda, Y, Miyazaki, Y, Inoue, T, Matsumura, H.
登録日2014-02-01
公開日2014-10-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of FtsA from Staphylococcus aureus
FEBS Lett., 588, 2014
3WQT
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BU of 3wqt by Molmil
Staphylococcus aureus FtsA complexed with AMPPNP
分子名称: CHLORIDE ION, Cell division protein FtsA, MAGNESIUM ION, ...
著者Fujita, J, Maeda, Y, Miyazaki, Y, Inoue, T, Matsumura, H.
登録日2014-02-01
公開日2014-10-08
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of FtsA from Staphylococcus aureus
FEBS Lett., 588, 2014
3WR7
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BU of 3wr7 by Molmil
Crystal Structure of Spermidine Acetyltransferase from Escherichia coli
分子名称: COENZYME A, SPERMIDINE, Spermidine N1-acetyltransferase
著者Sugiyama, S, Ishikawa, S, Tomitori, S, Niiyama, M, Hirose, M, Miyazaki, Y, Higashi, K, Adachi, H, Takano, K, Murakami, S, Inoue, T, Mori, Y, Kashiwagi, K, Igarashi, K, Matsumura, H.
登録日2014-02-20
公開日2015-09-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular mechanism underlying promiscuous polyamine recognition by spermidine acetyltransferase
Int.J.Biochem.Cell Biol., 76, 2016
3VHK
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BU of 3vhk by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a back pocket binder
分子名称: 1,2-ETHANEDIOL, Vascular endothelial growth factor receptor 2, {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol
著者Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H.
登録日2011-08-25
公開日2012-09-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
3VID
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BU of 3vid by Molmil
Crystal structure of human VEGFR2 kinase domain with Compound A.
分子名称: 4,5,6,11-tetrahydro-1H-pyrazolo[4',3':6,7]cyclohepta[1,2-b]indole, Vascular endothelial growth factor receptor 2
著者Iwata, H, Oki, H, Okada, K, Takagi, T, Tawada, M, Miyazaki, Y, Imamura, S, Hori, A, Hixon, M.S, Kimura, H, Miki, H.
登録日2011-09-29
公開日2012-08-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.
ACS MED.CHEM.LETT., 3, 2012
7FHT
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BU of 7fht by Molmil
Crystal structure of DYRK1A in complex with RD0448
分子名称: (5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Kikuchi, M, Sumida, Y, Hosoya, T, Kii, I, Umehara, T.
登録日2021-07-30
公開日2022-03-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structure-activity relationship for the folding intermediate-selective inhibition of DYRK1A.
Eur.J.Med.Chem., 227, 2022
7FHS
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BU of 7fhs by Molmil
Crystal structure of DYRK1A in complex with RD0392
分子名称: (5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, GLYCEROL
著者Kikuchi, M, Sumida, T, Hosoya, T, Kii, I, Umehara, T.
登録日2021-07-30
公開日2022-03-23
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structure-activity relationship for the folding intermediate-selective inhibition of DYRK1A.
Eur.J.Med.Chem., 227, 2022
3T1F
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BU of 3t1f by Molmil
Crystal structure of the mouse CD1d-Glc-DAG-s2 complex
分子名称: (2S)-1-(alpha-D-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Girardi, E, Zajonc, D.M.
登録日2011-07-21
公開日2011-09-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Invariant natural killer T cells recognize glycolipids from pathogenic Gram-positive bacteria.
Nat.Immunol., 12, 2011
1V4W
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BU of 1v4w by Molmil
Crystal structure of bluefin tuna hemoglobin deoxy form at pH7.5
分子名称: PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha chain, hemoglobin beta chain
著者Yokoyama, T, Chong, K.T, Miyazaki, Y, Nakatsukasa, T, Unzai, S, Miyazaki, G, Morimoto, H, Jeremy, R.H.T, Park, S.Y.
登録日2003-11-19
公開日2004-07-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Novel Mechanisms of pH Sensitivity in Tuna Hemoglobin: A STRUCTURAL EXPLANATION OF THE ROOT EFFECT
J.Biol.Chem., 279, 2004
1V4U
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BU of 1v4u by Molmil
Crystal structure of bluefin tuna carbonmonoxy-hemoglobin
分子名称: CARBON MONOXIDE, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha chain, ...
著者Yokoyama, T, Chong, K.T, Miyazaki, Y, Nakatsukasa, T, Unzai, S, Miyazaki, G, Morimoto, H, Jeremy, R.H.T, Park, S.Y.
登録日2003-11-19
公開日2004-07-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Novel Mechanisms of pH Sensitivity in Tuna Hemoglobin: A STRUCTURAL EXPLANATION OF THE ROOT EFFECT
J.Biol.Chem., 279, 2004
1V4X
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BU of 1v4x by Molmil
Crystal structure of bluefin tuna hemoglobin deoxy form at pH5.0
分子名称: PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha chain, hemoglobin beta chain
著者Yokoyama, T, Chong, K.T, Miyazaki, Y, Nakatsukasa, T, Unzai, S, Miyazaki, G, Morimoto, H, Jeremy, R.H.T, Park, S.Y.
登録日2003-11-19
公開日2004-07-06
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Novel Mechanisms of pH Sensitivity in Tuna Hemoglobin: A STRUCTURAL EXPLANATION OF THE ROOT EFFECT
J.Biol.Chem., 279, 2004
6LCS
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BU of 6lcs by Molmil
Crystal structure of 73MuL9 Fv-clasp fragment in complex with GA-pyridine analogue
分子名称: (2~{S})-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid, PHOSPHATE ION, VH-SARAH, ...
著者Nakamura, T, Takagi, J, Yamagata, Y, Morioka, H.
登録日2019-11-19
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular recognition of a single-chain Fv antibody specific for GA-pyridine, an advanced glycation end-product (AGE), elucidated using biophysical techniques and synthetic antigen analogues.
J.Biochem., 170, 2021
1IQH
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BU of 1iqh by Molmil
Human coagulation factor Xa in complex with M55143
分子名称: 4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[4-HYDROXYMETHYL-1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQF
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BU of 1iqf by Molmil
Human coagulation factor Xa in complex with M55165
分子名称: (2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
1IQL
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BU of 1iql by Molmil
Human coagulation factor Xa in complex with M54476
分子名称: 4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE, CALCIUM ION, coagulation Factor Xa
著者Shiromizu, I, Matsusue, T.
登録日2001-07-23
公開日2003-09-23
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Factor Xa Specific Inhibitor that Induces the Novel Binding Model in Complex with Human Fxa
To be Published
5Y31
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BU of 5y31 by Molmil
Crystal structure of human LGI1-ADAM22 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 22, ...
著者Yamagata, A, Fukai, S.
登録日2017-07-27
公開日2018-05-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (7.125 Å)
主引用文献Structural basis of epilepsy-related ligand-receptor complex LGI1-ADAM22.
Nat Commun, 9, 2018

 

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