3P78
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![BU of 3p78 by Molmil](/molmil-images/mine/3p78) | P38 inhibitor-bound | 分子名称: | 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Moffett, K.K, Namboodiri, H. | 登録日 | 2010-10-12 | 公開日 | 2011-10-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
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3P7B
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![BU of 3p7b by Molmil](/molmil-images/mine/3p7b) | p38 inhibitor-bound | 分子名称: | 1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Moffett, K.K, Namboodiri, H. | 登録日 | 2010-10-12 | 公開日 | 2011-10-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
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3P79
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![BU of 3p79 by Molmil](/molmil-images/mine/3p79) | P38 inhibitor-bound | 分子名称: | 1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | 著者 | Moffett, K.K, Namboodiri, H. | 登録日 | 2010-10-12 | 公開日 | 2011-10-12 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Discovery of a novel class of non-ATP site DFG-out state p38 inhibitors utilizing computationally assisted virtual fragment-based drug design (vFBDD). Bioorg.Med.Chem.Lett., 21, 2011
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1YGU
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![BU of 1ygu by Molmil](/molmil-images/mine/1ygu) | Crystal structure of the tandem phosphatase domains of RPTP CD45 with a pTyr peptide | 分子名称: | Leukocyte common antigen, Polyoma Middle T antigen | 著者 | Nam, H, Poy, F, Saito, H, Frederick, C.A. | 登録日 | 2005-01-05 | 公開日 | 2005-02-22 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis for the function and regulation of the receptor protein tyrosine phosphatase CD45. J.Exp.Med., 201, 2005
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2JMK
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![BU of 2jmk by Molmil](/molmil-images/mine/2jmk) | Solution structure of ta0956 | 分子名称: | Hypothetical protein Ta0956 | 著者 | Koo, B, Jung, J, Jung, H, Nam, H, Kim, Y, Yee, A, Arrowsmith, C.H, Lee, W. | 登録日 | 2006-11-20 | 公開日 | 2007-10-02 | 最終更新日 | 2024-05-01 | 実験手法 | SOLUTION NMR | 主引用文献 | Solution structure of the hypothetical novel-fold protein TA0956 from Thermoplasma acidophilum Proteins, 69, 2007
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6S1X
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6RBC
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![BU of 6rbc by Molmil](/molmil-images/mine/6rbc) | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor KB1157 | 分子名称: | (2~{S})-2-[[(2~{R})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid, 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 | Barinka, C, Kutil, Z. | 登録日 | 2019-04-10 | 公開日 | 2020-05-13 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Novel beta- and gamma-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen. J.Med.Chem., 63, 2020
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8GZC
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![BU of 8gzc by Molmil](/molmil-images/mine/8gzc) | Crystal structure of EP300 HAT domain in complex with compound 10 | 分子名称: | (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 | 著者 | Takahashi, M, Hanzawa, H. | 登録日 | 2022-09-26 | 公開日 | 2023-01-11 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Discovery of DS-9300: A Highly Potent, Selective, and Once-Daily Oral EP300/CBP Histone Acetyltransferase Inhibitor. J.Med.Chem., 66, 2023
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3ABZ
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![BU of 3abz by Molmil](/molmil-images/mine/3abz) | Crystal structure of Se-Met labeled Beta-glucosidase from Kluyveromyces marxianus | 分子名称: | Beta-glucosidase I, GLYCEROL | 著者 | Yoshida, E, Hidaka, M, Fushinobu, S, Katayama, T, Kumagai, H. | 登録日 | 2009-12-25 | 公開日 | 2010-08-11 | 最終更新日 | 2013-10-30 | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | 主引用文献 | Role of a PA14 domain in determining substrate specificity of a glycoside hydrolase family 3 beta-glucosidase from Kluyveromyces marxianus. Biochem.J., 431, 2010
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3AC0
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![BU of 3ac0 by Molmil](/molmil-images/mine/3ac0) | Crystal structure of Beta-glucosidase from Kluyveromyces marxianus in complex with glucose | 分子名称: | Beta-glucosidase I, beta-D-glucopyranose | 著者 | Yoshida, E, Hidaka, M, Fushinobu, S, Katayama, T, Kumagai, H. | 登録日 | 2009-12-25 | 公開日 | 2010-08-11 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.54 Å) | 主引用文献 | Role of a PA14 domain in determining substrate specificity of a glycoside hydrolase family 3 beta-glucosidase from Kluyveromyces marxianus. Biochem.J., 431, 2010
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7UJ4
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![BU of 7uj4 by Molmil](/molmil-images/mine/7uj4) | Inhibition of Human Menin by SNDX-5613 | 分子名称: | 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, Isoform 2 of Menin, MAGNESIUM ION | 著者 | McKeever, B.M, Kulkarni, S, McGeehan, G.M. | 登録日 | 2022-03-30 | 公開日 | 2022-12-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | MEN1 mutations mediate clinical resistance to menin inhibition. Nature, 615, 2023
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7K15
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![BU of 7k15 by Molmil](/molmil-images/mine/7k15) | Crystal structure of the Human Leukotriene B4 Receptor 1 in Complex with Selective Antagonist MK-D-046 | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, FLAVIN MONONUCLEOTIDE, HEXAETHYLENE GLYCOL, ... | 著者 | Michaelian, N, Han, G.W, Cherezov, V. | 登録日 | 2020-09-07 | 公開日 | 2021-02-17 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.88 Å) | 主引用文献 | Structural insights on ligand recognition at the human leukotriene B4 receptor 1. Nat Commun, 12, 2021
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5AZ4
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5ZE9
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![BU of 5ze9 by Molmil](/molmil-images/mine/5ze9) | Crystal structure of AMP-PNP bound mutant A3B3 complex from Enterococcus hirae V-ATPase | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ... | 著者 | Maruyama, S, Suzuki, K, Sasaki, H, Mizutani, K, Saito, Y, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Ichiro, Y, Murata, T. | 登録日 | 2018-02-27 | 公開日 | 2019-02-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.102 Å) | 主引用文献 | Metastable asymmetrical structure of a shaftless V1motor. Sci Adv, 5, 2019
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6JZJ
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![BU of 6jzj by Molmil](/molmil-images/mine/6jzj) | Structure of FimA type-2 (FimA2) prepilin of the type V major fimbrium | 分子名称: | Major fimbrium subunit FimA type-2, SULFATE ION | 著者 | Okada, K, Shoji, M, Nakayam, K, Imada, K. | 登録日 | 2019-05-02 | 公開日 | 2020-04-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure of polymerized type V pilin reveals assembly mechanism involving protease-mediated strand exchange. Nat Microbiol, 5, 2020
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8E90
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![BU of 8e90 by Molmil](/molmil-images/mine/8e90) | Inhibition of Human Menin by SNDX-5613 | 分子名称: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-({4-[7-({(1r,4r)-4-[(ethanesulfonyl)amino]cyclohexyl}methyl)-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl}oxy)-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide, ... | 著者 | McKeever, B.M, KULKARNI, S, McGeehan, G.M. | 登録日 | 2022-08-26 | 公開日 | 2022-12-14 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | MEN1 mutations mediate clinical resistance to menin inhibition. Nature, 615, 2023
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8F76
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5ZEA
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![BU of 5zea by Molmil](/molmil-images/mine/5zea) | Crystal structure of the nucleotide-free mutant A3B3 | 分子名称: | GLYCEROL, V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B | 著者 | Maruyama, S, Suzuki, K, Mizutani, K, Saito, Y, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Ichiro, Y, Murata, T. | 登録日 | 2018-02-27 | 公開日 | 2019-02-06 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (3.384 Å) | 主引用文献 | Metastable asymmetrical structure of a shaftless V1motor. Sci Adv, 5, 2019
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6JZK
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![BU of 6jzk by Molmil](/molmil-images/mine/6jzk) | Structure of FimA type-1 (FimA1) prepilin of the type V major fimbrium | 分子名称: | GLYCEROL, Major fimbrium subunit FimA type-1, S,R MESO-TARTARIC ACID, ... | 著者 | Okada, K, Shoji, M, Nakayam, K, Imada, K. | 登録日 | 2019-05-02 | 公開日 | 2020-04-15 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Structure of polymerized type V pilin reveals assembly mechanism involving protease-mediated strand exchange. Nat Microbiol, 5, 2020
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1AVK
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![BU of 1avk by Molmil](/molmil-images/mine/1avk) | CRYSTAL STRUCTURES OF THE COPPER-CONTAINING AMINE OXIDASE FROM ARTHROBACTER GLOBIFORMIS IN THE HOLO-AND APO-FORMS: IMPLICATIONS FOR THE BIOGENESIS OF TOPA QUINONE | 分子名称: | AMINE OXIDASE | 著者 | Wilce, M.C.J, Guss, J.M, Freeman, H.C, Tanizawa, K, Yamaguchi, H. | 登録日 | 1997-09-16 | 公開日 | 1998-03-18 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Crystal structures of the copper-containing amine oxidase from Arthrobacter globiformis in the holo and apo forms: implications for the biogenesis of topaquinone. Biochemistry, 36, 1997
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1AV4
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1AVL
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3B1S
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3B0Z
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![BU of 3b0z by Molmil](/molmil-images/mine/3b0z) | |