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3W04
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BU of 3w04 by Molmil
Crystal structure of Oryza sativa DWARF14 (D14)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Kagiyama, M, Hirano, Y, Mori, T, Kim, S.Y, Kyozuka, J, Seto, Y, Yamaguchi, S, Hakoshima, T.
登録日2012-10-19
公開日2013-01-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structures of D14 and D14L in the strigolactone and karrikin signaling pathways
Genes Cells, 18, 2013
6L8A
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BU of 6l8a by Molmil
Tetrathionate hydrolase from Acidithiobacillus ferrooxidans
分子名称: BETA-ALANINE, GLYCINE, SULFATE ION, ...
著者Tamada, T, Hirano, Y.
登録日2019-11-05
公開日2020-11-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.95004809 Å)
主引用文献Reaction mechanism of tetrathionate hydrolysis based on the crystal structure of tetrathionate hydrolase from Acidithiobacillus ferrooxidans.
Protein Sci., 30, 2020
6M3D
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BU of 6m3d by Molmil
X-ray crystal structure of tandemly connected engrailed homeodomains (EHD) with R53A mutations and DNA complex
分子名称: DNA (5'-D(*GP*GP*AP*TP*TP*AP*GP*GP*AP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*TP*CP*CP*TP*AP*AP*TP*CP*C)-3'), SODIUM ION, ...
著者Sunami, T, Hirano, Y, Tamada, T, Kono, H.
登録日2020-03-03
公開日2020-09-16
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural basis for designing an array of engrailed homeodomains.
Acta Crystallogr D Struct Biol, 76, 2020
3W91
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BU of 3w91 by Molmil
crystal structure of SeMet-labeled yeast N-acetyltransferase Mpr1 L87M mutant
分子名称: MPR1 protein
著者Nasuno, R, Hirano, Y, Itoh, T, Hakoshima, T, Hibi, T, Takagi, H.
登録日2013-03-23
公開日2013-07-17
最終更新日2013-08-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and functional analysis of the yeast N-acetyltransferase Mpr1 involved in oxidative stress tolerance via proline metabolism
Proc.Natl.Acad.Sci.USA, 110, 2013
3WX2
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BU of 3wx2 by Molmil
Mouse Cereblon thalidomide binding domain, native
分子名称: Protein cereblon, SULFATE ION, ZINC ION
著者Mori, T, Ito, T, Hirano, Y, Yamaguchi, Y, Handa, H, Hakoshima, T.
登録日2014-07-10
公開日2014-08-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the human Cereblon-DDB1-lenalidomide complex reveals basis for responsiveness to thalidomide analogs
Nat.Struct.Mol.Biol., 21, 2014
3WX1
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BU of 3wx1 by Molmil
Mouse Cereblon thalidomide binding domain, selenomethionine derivative
分子名称: Protein cereblon, SULFATE ION, ZINC ION
著者Mori, T, Ito, T, Hirano, Y, Yamaguchi, Y, Handa, H, Hakoshima, T.
登録日2014-07-10
公開日2014-08-06
最終更新日2014-09-17
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure of the human Cereblon-DDB1-lenalidomide complex reveals basis for responsiveness to thalidomide analogs
Nat.Struct.Mol.Biol., 21, 2014
3W6X
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BU of 3w6x by Molmil
Yeast N-acetyltransferase Mpr1 in complex with CHOP
分子名称: (4S)-4-hydroxy-L-proline, CHLORIDE ION, HEXAETHYLENE GLYCOL, ...
著者Nasuno, R, Hirano, Y, Itoh, T, Hakoshima, T, Hibi, T, Takagi, H.
登録日2013-02-25
公開日2013-08-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.299 Å)
主引用文献Structural and functional analysis of the yeast N-acetyltransferase Mpr1 involved in oxidative stress tolerance via proline metabolism
Proc.Natl.Acad.Sci.USA, 110, 2013
3W9R
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BU of 3w9r by Molmil
Crystal structure of the high-affinity abscisic acid receptor PYL9/RCAR9 bound to ABA
分子名称: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL9, HEXAETHYLENE GLYCOL
著者Nakagawa, M, Hirano, Y, Kagiyama, M, Shibata, N, Hakoshima, T.
登録日2013-04-13
公開日2014-04-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanism of high-affinity abscisic acid binding to PYL9/RCAR1.
Genes Cells, 19, 2014
3W6S
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BU of 3w6s by Molmil
yeast N-acetyltransferase Mpr1 involved in oxidative stress tolerance via proline metabolism
分子名称: HEXAETHYLENE GLYCOL, MAGNESIUM ION, MPR1 protein
著者Nasuno, R, Hirano, Y, Itoh, T, Hakoshima, T, Hibi, T, Takagi, H.
登録日2013-02-21
公開日2013-07-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural and functional analysis of the yeast N-acetyltransferase Mpr1 involved in oxidative stress tolerance via proline metabolism
Proc.Natl.Acad.Sci.USA, 110, 2013
6BZS
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BU of 6bzs by Molmil
Human ABCC6 NBD1 in Apo state
分子名称: Multidrug resistance-associated protein 6, SULFATE ION
著者Zheng, A, Thibodeau, P.H.
登録日2017-12-26
公開日2018-09-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.29990458 Å)
主引用文献Structural analysis reveals pathomechanisms associated with pseudoxanthoma elasticum-causing mutations in the ABCC6 transporter.
J. Biol. Chem., 293, 2018
5W0I
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BU of 5w0i by Molmil
CREBBP Bromodomain in complex with Cpd8 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
分子名称: 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one, CREB-binding protein, DIMETHYL SULFOXIDE, ...
著者Murray, J.M.
登録日2017-05-30
公開日2018-03-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献GNE-781, A Highly Advanced Potent and Selective Bromodomain Inhibitor of Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP).
J. Med. Chem., 60, 2017
5WBS
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BU of 5wbs by Molmil
Crystal structure of Frizzled-7 CRD with an inhibitor peptide Fz7-21
分子名称: Frizzled-7,inhibitor peptide Fz7-21
著者Nile, A.H, Mukund, S, Hannoush, R.N, Wang, W.
登録日2017-06-29
公開日2018-04-18
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献A selective peptide inhibitor of Frizzled 7 receptors disrupts intestinal stem cells.
Nat. Chem. Biol., 14, 2018
4V8K
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BU of 4v8k by Molmil
Crystal structure of the LH1-RC complex from Thermochromatium tepidum in P21 form
分子名称: BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, CALCIUM ION, ...
著者Niwa, S, Takeda, K, Wang-Otomo, Z.-Y, Miki, K.
登録日2013-11-22
公開日2014-07-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.006 Å)
主引用文献Structure of the LH1-RC complex from Thermochromatium tepidum at 3.0 angstrom
Nature, 508, 2014
5EK0
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BU of 5ek0 by Molmil
Human Nav1.7-VSD4-NavAb in complex with GX-936.
分子名称: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-cyano-4-[2-[2-(1-ethylazetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-~{N}-(1,2,4-thiadiazol-5-yl)benzenesulfonamide, Chimera of bacterial Ion transport protein and human Sodium channel protein type 9 subunit alpha
著者Ahuja, S, Mukund, S, Starovasnik, M.A, Koth, C.M, Payandeh, J.
登録日2015-11-03
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Structural basis of Nav1.7 inhibition by an isoform-selective small-molecule antagonist.
Science, 350, 2015
6O9D
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BU of 6o9d by Molmil
Structure of the IRAK4 kinase domain with compound 5
分子名称: Interleukin-1 receptor-associated kinase 4, N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
著者Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
登録日2019-03-13
公開日2019-05-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6O8U
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BU of 6o8u by Molmil
Crystal structure of IRAK4 in complex with compound 23
分子名称: GLYCEROL, Interleukin-1 receptor-associated kinase 4, N-[2,2-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, ...
著者Kiefer, J.R, Yu, C, Drobnick, J, Bryan, M.C, Lupardus, P.J.
登録日2019-03-12
公開日2019-05-22
最終更新日2019-07-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6O95
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BU of 6o95 by Molmil
Structure of the IRAK4 kinase domain with compound 41
分子名称: Interleukin-1 receptor-associated kinase 4, N-[(2R)-2-(hydroxymethyl)-2-methyl-6-(morpholin-4-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, SULFATE ION
著者Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
登録日2019-03-13
公開日2019-05-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6O94
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BU of 6o94 by Molmil
Structure of the IRAK4 kinase domain with compound 17
分子名称: CALCIUM ION, Interleukin-1 receptor-associated kinase 4, N-{5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-2-(morpholin-4-yl)-1H-benzimidazol-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
著者Yu, C, Drobnick, J, Bryan, M.C, Kiefer, J, Lupardus, P.J.
登録日2019-03-13
公開日2019-05-22
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Development of Potent and Selective Pyrazolopyrimidine IRAK4 Inhibitors.
J.Med.Chem., 62, 2019
6IZH
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BU of 6izh by Molmil
Crystal structure of deaminase AmnE from Pseudomonas sp. AP-3
分子名称: 2-aminomuconate deaminase, MAGNESIUM ION
著者Chen, Y.J, Chen, Y.P, Su, D.
登録日2018-12-19
公開日2019-01-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.754 Å)
主引用文献A Unique Homo-Hexameric Structure of 2-Aminomuconate Deaminase in the BacteriumPseudomonas species AP-3.
Front Microbiol, 10, 2019
8XEP
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BU of 8xep by Molmil
Crystal structure of a Legionella pneumophila type IV effector in complex with ubiquitin
分子名称: SULFATE ION, Type IV effector MavL, Ubiquitin
著者Tan, J.X, Wang, X.F, Zhou, Y, Zhu, Y.Q.
登録日2023-12-12
公開日2024-05-01
最終更新日2024-07-24
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling.
Nature, 631, 2024
3COH
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BU of 3coh by Molmil
Crystal structure of Aurora-A in complex with a pentacyclic inhibitor
分子名称: 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one, Serine/threonine-protein kinase 6
著者Wiesmann, C, Raswson, T.E, Cochran, A.G.
登録日2008-03-28
公開日2009-02-17
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability.
J.Med.Chem., 51, 2008
6J72
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Crystal structure of IniA from Mycobacterium smegmatis with GTP bound
分子名称: GUANOSINE-5'-TRIPHOSPHATE, Isoniazid inducible gene protein IniA, L(+)-TARTARIC ACID, ...
著者Wang, M.F, Guo, X.Y, Hu, J.J, Li, J, Rao, Z.H.
登録日2019-01-16
公開日2019-09-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Mycobacterial dynamin-like protein IniA mediates membrane fission.
Nat Commun, 10, 2019
6J73
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Crystal structure of IniA from Mycobacterium smegmatis
分子名称: Isoniazid inducible gene protein IniA
著者Wang, M.F, Guo, X.Y, Hu, J.J, Li, J, Rao, Z.H.
登録日2019-01-16
公開日2019-09-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.211 Å)
主引用文献Mycobacterial dynamin-like protein IniA mediates membrane fission.
Nat Commun, 10, 2019
6WOK
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BU of 6wok by Molmil
Crystal structure of estrogen receptor alpha in complex with receptor degrader 6
分子名称: (1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor
著者Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Labadie, S.
登録日2020-04-24
公開日2020-07-01
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.309 Å)
主引用文献Discovery of GNE-149 as a Full Antagonist and Efficient Degrader of Estrogen Receptor alpha for ER+ Breast Cancer.
Acs Med.Chem.Lett., 11, 2020
6DF6
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BU of 6df6 by Molmil
Crystal structure of estrogen receptor alpha in complex with receptor degrader 16ab
分子名称: (8R)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, GLYCEROL
著者Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C.
登録日2018-05-14
公開日2019-02-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha.
Bioorg. Med. Chem. Lett., 29, 2019

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