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9DLV
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BU of 9dlv by Molmil
Cryo-EM structure of the human TREX-2.1 complex (LENG8/PCID2/DSS1) bound to DDX39B(UAP56)
分子名称: 26S proteasome complex subunit SEM1, Leukocyte receptor cluster member 8, PCI domain-containing protein 2, ...
著者Clarke, B.P, Xie, Y, Ren, Y.
登録日2024-09-11
公開日2025-09-17
最終更新日2025-11-12
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structural mechanism of DDX39B regulation by human TREX-2 and a related complex in mRNP remodeling.
Nat Commun, 16, 2025
3E30
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Protein farnesyltransferase complexed with FPP and ethylene diamine inhibitor 4
分子名称: FARNESYL DIPHOSPHATE, Protein farnesyltransferase subunit beta, Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha, ...
著者Hast, M.A, Beese, L.S.
登録日2008-08-06
公開日2009-03-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural basis for binding and selectivity of antimalarial and anticancer ethylenediamine inhibitors to protein farnesyltransferase.
Chem.Biol., 16, 2009
7MEU
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BU of 7meu by Molmil
A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders
分子名称: (2E)-2-{2-[4-([1,1'-biphenyl]-4-yl)-1,3-thiazol-2-yl]hydrazinylidene}-3-(2-nitrophenyl)propanoic acid, 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE, Eukaryotic translation initiation factor 4E
著者Papadopoulos, E.
登録日2021-04-07
公開日2021-04-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献A biphenyl inhibitor of eIF4E targeting an internal binding site enables the design of cell-permeable PROTAC-degraders.
Eur.J.Med.Chem., 219, 2021
7M3Q
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Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV)
分子名称: 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, ...
著者Chowdhury, A, Singer, A.U, Ogunjimi, A.A, Teyra, J, Zhang, W, Sicheri, F, Sidhu, S.S.
登録日2021-03-18
公開日2021-04-21
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV)
To be published
6NP0
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BU of 6np0 by Molmil
Cryo-EM structure of 5HT3A receptor in presence of granisetron
分子名称: 1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide, 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Basak, S, Chakrapani, S.
登録日2019-01-17
公開日2019-07-24
最終更新日2024-11-20
実験手法ELECTRON MICROSCOPY (2.92 Å)
主引用文献Molecular mechanism of setron-mediated inhibition of full-length 5-HT3Areceptor.
Nat Commun, 10, 2019
8Q3H
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Capra hircus reactive intermediate deaminase A mutant - A108D
分子名称: 1,2-ETHANEDIOL, 2-iminobutanoate/2-iminopropanoate deaminase, GLYCEROL
著者Rizzi, G, Visentin, C, Di Pisa, F, Ricagno, S.
登録日2023-08-04
公開日2024-06-26
最終更新日2025-01-15
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Site-directed mutagenesis reveals the interplay between stability, structure, and enzymatic activity in RidA from Capra hircus.
Protein Sci., 33, 2024
9D7N
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Human p38alpha MAP Kinase in complex with 1-Isobutyl-1H-indazole derivative; OSF267
分子名称: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 5-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-1H-indazole-6-carboxamide, Mitogen-activated protein kinase 14
著者Brunzelle, J.S, Shuvalova, L, Benetik, S.F, Roy, S.M, Watterson, D.M, Gobec, S.
登録日2024-08-16
公開日2025-09-24
実験手法X-RAY DIFFRACTION (1.973 Å)
主引用文献Targeting Neuroinflammation and Cognitive Decline: First-in-Class Dual Butyrylcholinesterase and p38 alpha Mitogen-Activated Protein Kinase Inhibitors.
J.Med.Chem., 68, 2025
4ZFV
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BU of 4zfv by Molmil
Lipomyces starkeyi levoglucosan kinase bound to ADP and magnesium.
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Levoglucosan kinase, ...
著者Bacik, J.P.
登録日2015-04-21
公開日2015-09-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Producing Glucose 6-Phosphate from Cellulosic Biomass: STRUCTURAL INSIGHTS INTO LEVOGLUCOSAN BIOCONVERSION.
J.Biol.Chem., 290, 2015
8QH0
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BU of 8qh0 by Molmil
Crystal structure of the SARS-CoV-2 RBD with the antibody Cv2.3194
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cv2.3194 Heavy chain, GLYCEROL, ...
著者Fernandez, I, Rey, F.A.
登録日2023-09-06
公開日2024-06-19
最終更新日2025-07-02
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Broad sarbecovirus neutralization by combined memory B cell antibodies to ancestral SARS-CoV-2.
Iscience, 27, 2024
4PC4
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BU of 4pc4 by Molmil
Bombyx mori lipoprotein 6
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 30K lipoprotein, ...
著者Pietrzyk, A.J, Bujacz, A, Jaskolski, M, Bujacz, G.
登録日2014-04-14
公開日2015-03-04
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Bombyx mori lipoprotein 6: comparative structural analysis of the 30-kDa lipoprotein family.
Plos One, 9, 2014
5GVE
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BU of 5gve by Molmil
Human TOP3B-TDRD3 complex
分子名称: DNA topoisomerase 3-beta-1, MAGNESIUM ION, Tudor domain-containing protein 3
著者Goto-Ito, S, Yamagata, A, Sato, Y, Takahashi, T.S, Fukai, S.
登録日2016-09-05
公開日2017-06-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3.606 Å)
主引用文献Structural basis of the interaction between Topoisomerase III beta and the TDRD3 auxiliary factor
Sci Rep, 7, 2017
2XL3
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BU of 2xl3 by Molmil
WDR5 IN COMPLEX WITH AN RBBP5 PEPTIDE AND HISTONE H3 PEPTIDE
分子名称: GLYCEROL, HISTONE H3.1, RETINOBLASTOMA-BINDING PROTEIN 5, ...
著者Odho, Z, Southall, S.M, Wilson, J.R.
登録日2010-07-19
公開日2010-08-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Characterisation of a Novel Wdr5 Binding Site that Recruits Rbbp5 Through a Conserved Motif and Enhances Methylation of H3K4 by Mll1.
J.Biol.Chem., 285, 2010
5FH0
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BU of 5fh0 by Molmil
The structure of rat cytosolic PEPCK variant E89A complex with GTP
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GUANOSINE-5'-TRIPHOSPHATE, MANGANESE (II) ION, ...
著者Johnson, T.A, Holyoak, T.
登録日2015-12-21
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Utilization of Substrate Intrinsic Binding Energy for Conformational Change and Catalytic Function in Phosphoenolpyruvate Carboxykinase.
Biochemistry, 55, 2016
4P7C
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BU of 4p7c by Molmil
Crystal structure of putative methyltransferase from Pseudomonas syringae pv. tomato
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, tRNA (mo5U34)-methyltransferase
著者Chang, C, Mack, J, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2014-03-26
公開日2014-04-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of putative methyltransferase from Pseudomonas syringae pv. tomato
To Be Published
3G70
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BU of 3g70 by Molmil
Design and Preparation of Potent, Non-Peptidic, Bioavailable Renin Inhibitors
分子名称: (1R,5S)-7-{4-[3-(2-chloro-3,6-difluorophenoxy)propyl]phenyl}-N-cyclopropyl-N-(2,3-dichlorobenzyl)-3,9-diazabicyclo[3.3.1]non-6-ene-6-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Bezencon, O, Bur, D, Prade, L, Weller, T, Boss, C, Fischli, W.
登録日2009-02-09
公開日2009-06-30
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and Preparation of Potent, Nonpeptidic, Bioavailable Renin Inhibitors
J.Med.Chem., 52, 2009
9DS0
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BU of 9ds0 by Molmil
Crystal structure of sphA with MeVGQ
分子名称: (2E,3E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}pent-3-enoic acid, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Xi, W, Hai, Y.
登録日2024-09-26
公開日2025-10-22
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献strucutre of PLP-dependent enzyme sphA with MeVGQ
To Be Published
3EO9
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BU of 3eo9 by Molmil
Crystal structure the Fab fragment of Efalizumab
分子名称: Efalizumab Fab fragment, heavy chain, light chain
著者Li, S, Ding, J.
登録日2008-09-26
公開日2009-04-14
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Efalizumab binding to the LFA-1 alphaL I domain blocks ICAM-1 binding via steric hindrance.
Proc.Natl.Acad.Sci.USA, 106, 2009
7MJJ
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BU of 7mjj by Molmil
Cryo-EM structure of the SARS-CoV-2 N501Y mutant spike protein ectodomain bound to Fab ab1 (class 1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ab1 Heavy Chain, ...
著者Zhu, X, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Saville, J.W, Leopold, K, Li, W, Dimitrov, D.S, Tuttle, K.S, Zhou, S, Chittori, S, Subramaniam, S.
登録日2021-04-20
公開日2021-05-12
最終更新日2024-10-23
実験手法ELECTRON MICROSCOPY (3.32 Å)
主引用文献Cryo-electron microscopy structures of the N501Y SARS-CoV-2 spike protein in complex with ACE2 and 2 potent neutralizing antibodies.
Plos Biol., 19, 2021
1L62
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BU of 1l62 by Molmil
ANALYSIS OF THE INTERACTION BETWEEN CHARGED SIDE CHAINS AND THE ALPHA-HELIX DIPOLE USING DESIGNED THERMOSTABLE MUTANTS OF PHAGE T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, LYSOZYME
著者Nicholson, H, Matthews, B.W.
登録日1991-05-06
公開日1991-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Analysis of the interaction between charged side chains and the alpha-helix dipole using designed thermostable mutants of phage T4 lysozyme.
Biochemistry, 30, 1991
3V4N
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BU of 3v4n by Molmil
The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthatse, mvaS, by Hymeglusin
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, HMG-CoA synthase
著者Skaff, D.A, Ramyar, K.X, McWhorter, W.J, Geisbrecht, B.V, Miziorko, H.M.
登録日2011-12-15
公開日2012-04-25
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Biochemical and structural basis for inhibition of Enterococcus faecalis hydroxymethylglutaryl-CoA synthase, mvaS, by hymeglusin.
Biochemistry, 51, 2012
6ASE
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BU of 6ase by Molmil
KRAS mutant-A59G in GDP-bound
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
著者Westover, K, Lu, J.
登録日2017-08-24
公開日2018-01-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.554 Å)
主引用文献KRAS Switch Mutants D33E and A59G Crystallize in the State 1 Conformation.
Biochemistry, 57, 2018
9D5P
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BU of 9d5p by Molmil
Crystal structure of the ILK/alpha-parvin core complex bound to erlotinib
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-parvin, Integrin-linked protein kinase, ...
著者Fukuda, K, Qin, J.
登録日2024-08-14
公開日2025-10-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the ILK/alpha-parvin core complex bound to erlotinib
To Be Published
5CZB
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BU of 5czb by Molmil
HCV NS5B IN COMPLEX WITH LIGAND IDX17119-5
分子名称: 1-[4-(7-amino-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)phenyl]-3-{[(R)-(2,4-dimethylphenyl)(methoxy)phosphoryl]amino}-1H-pyrazole-4-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Pierra, C, Dousson, C, Augustin, M.
登録日2015-07-31
公開日2016-06-15
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Synthesis of potent and broad genotypically active NS5B HCV non-nucleoside inhibitors binding to the thumb domain allosteric site 2 of the viral polymerase.
Bioorg.Med.Chem.Lett., 26, 2016
9D5H
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Crystal structure of the ILK mutant (R371Q)/alpha-parvin core complex bound to gefitinib
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-parvin, Gefitinib, ...
著者Fukuda, K, Qin, J.
登録日2024-08-13
公開日2025-10-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the ILK mutant (R371Q)/alpha-parvin core complex bound to gefitinib
To Be Published
9D5E
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BU of 9d5e by Molmil
Crystal structure of the ILK/alpha-parvin core complex bound to gefitinib
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alpha-parvin, Gefitinib, ...
著者Fukuda, K, Qin, J.
登録日2024-08-13
公開日2025-10-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the ILK/alpha-parvin core complex bound to gefitinib
To Be Published

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件を2025-12-03に公開中

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