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6JX0
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BU of 6jx0 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with AZD9291 prepared by co-crystallization
分子名称: CHLORIDE ION, Epidermal growth factor receptor, N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide
著者Yun, C.H, Yan, X.E, Zhu, S.J.
登録日2019-04-21
公開日2020-04-22
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural Basis of AZD9291 Selectivity for EGFR T790M.
J.Med.Chem., 63, 2020
5WER
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BU of 5wer by Molmil
Crystal Structure of TAPBPR and H2-Dd complex
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, CITRIC ACID, ...
著者Jiang, J.S, Natarajan, K, Boyd, L.F, Margulies, D.H.
登録日2017-07-10
公開日2017-10-18
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (3.412 Å)
主引用文献Crystal structure of a TAPBPR-MHC I complex reveals the mechanism of peptide editing in antigen presentation.
Science, 358, 2017
6K5Q
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BU of 6k5q by Molmil
Crystal structure of lysozyme complexed with a bioactive compound from Jatropha gossypiifolia
分子名称: ACETATE ION, GLYCEROL, Lysozyme C, ...
著者Kanal Elamparithi, B, Ankur, T, Sivakumar, M, Gunasekaran, K.
登録日2019-05-30
公開日2020-05-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.177 Å)
主引用文献Crystal structure of lysozyme complexed with a bioactive compound from Jatropha gossypiifolia
To Be Published
5GP7
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BU of 5gp7 by Molmil
Structural basis for the binding between Tankyrase-1 and USP25
分子名称: GLYCEROL, Tankyrase-1, Ubiquitin carboxyl-terminal hydrolase 25
著者Liu, J, Xu, D, Fu, T, Pan, L.
登録日2016-08-01
公開日2017-07-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献USP25 regulates Wnt signaling by controlling the stability of tankyrases
Genes Dev., 31, 2017
4PTB
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BU of 4ptb by Molmil
Crystal structure of human SP100 PHD-Bromodomain in the free state
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Nuclear autoantigen Sp-100, ...
著者Tallant, C, Nunez-Alonso, G, Savitsky, P, Newman, J, Krojer, T, Szykowska, A, Burgess-Brown, N, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S.
登録日2014-03-10
公開日2014-04-30
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of human SP100 PHD-Bromodomain in the free state
To be Published
4EEZ
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BU of 4eez by Molmil
Crystal Structure of Lactococcus lactis Alcohol Dehydrogenase variant RE1
分子名称: Alcohol dehydrogenase 1, TETRAETHYLENE GLYCOL, ZINC ION
著者Liu, X, Bastian, S, Snow, C.D, Brustad, E.M, Saleski, T, Xu, J.H, Meinhold, P, Arnold, F.H.
登録日2012-03-28
公開日2012-09-26
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-guided engineering of Lactococcus lactis alcohol dehydrogenase LlAdhA for improved conversion of isobutyraldehyde to isobutanol.
J.Biotechnol., 164, 2012
5GHO
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BU of 5gho by Molmil
Crystal structure of human MTH1(G2K/D120A mutant) in complex with 8-oxo-dGTP
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
著者Nakamura, T, Waz, S, Hirata, K, Nakabeppu, Y, Yamagata, Y.
登録日2016-06-20
公開日2017-01-04
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.191 Å)
主引用文献Structural and Kinetic Studies of the Human Nudix Hydrolase MTH1 Reveal the Mechanism for Its Broad Substrate Specificity
J. Biol. Chem., 292, 2017
5XFW
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BU of 5xfw by Molmil
Crystal structures of FMN-free form of dihydroorotate dehydrogenase from Trypanosoma brucei
分子名称: Dihydroorotate dehydrogenase (fumarate), MALONATE ION
著者Kubota, T, Tani, O, Yamaguchi, T, Namatame, I, Sakashita, H, Furukawa, K, Yamasaki, K.
登録日2017-04-11
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of FMN-bound and FMN-free forms of dihydroorotate dehydrogenase fromTrypanosoma brucei.
FEBS Open Bio, 8, 2018
6FP6
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BU of 6fp6 by Molmil
Complex of human Cu,Zn SOD1 with the human copper chaperone for SOD1 in a compact conformation
分子名称: Copper chaperone for superoxide dismutase, GLYCEROL, PROPANOIC ACID, ...
著者Sala, F.A, Wright, G.S.A, Antonyuk, S.V, Garratt, R.C, Hasnain, S.S.
登録日2018-02-09
公開日2019-01-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Molecular recognition and maturation of SOD1 by its evolutionarily destabilised cognate chaperone hCCS.
Plos Biol., 17, 2019
6N33
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BU of 6n33 by Molmil
Crystal structure of fms kinase domain with a small molecular inhibitor, PLX5622
分子名称: 6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine, Macrophage colony-stimulating factor 1 receptor
著者Zhang, Y.
登録日2018-11-14
公開日2019-09-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Sustained microglial depletion with CSF1R inhibitor impairs parenchymal plaque development in an Alzheimer's disease model.
Nat Commun, 10, 2019
5XTV
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BU of 5xtv by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate V from Pichia Stipitis
分子名称: 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-21
公開日2018-04-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (0.931 Å)
主引用文献The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5UIP
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BU of 5uip by Molmil
structure of DHFR with bound DAP, p-ABG and NADP
分子名称: Dihydrofolate reductase, N-(4-aminobenzene-1-carbonyl)-L-glutamic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Pedersen, L.C, London, R.E.
登録日2017-01-14
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Structural Basis for Biguanide Activity.
Biochemistry, 56, 2017
5XVT
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BU of 5xvt by Molmil
Crystal Structure of Transketolase in complex with hydroxylated TPP from Pichia Stipitis, crystal 2
分子名称: 2-[(2R)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-oxidanyl-2H-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Li, T.L, Hsu, N.S, Wang, Y.L.
登録日2017-06-28
公開日2018-04-25
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (0.85 Å)
主引用文献The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase.
Angew. Chem. Int. Ed. Engl., 57, 2018
4GVL
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BU of 4gvl by Molmil
Crystal Structure of the GsuK RCK domain
分子名称: ADENOSINE MONOPHOSPHATE, CALCIUM ION, TrkA domain protein, ...
著者Kong, C, Zeng, W, Ye, S, Chen, L, Sauer, D.B, Lam, Y, Derebe, M.G, Jiang, Y.
登録日2012-08-30
公開日2012-12-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Distinct gating mechanisms revealed by the structures of a multi-ligand gated K(+) channel.
elife, 1, 2012
6AW4
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BU of 6aw4 by Molmil
1.50A resolution structure of catechol O-methyltransferase (COMT) from Nannospalax galili
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Catechol O-methyltransferase, GLYCEROL, ...
著者Lovell, S, Mehzabeen, N, Battaile, K.P, Deng, Y, Hanzlik, R.P, Shams, I, Moskovitz, J.
登録日2017-09-05
公開日2018-09-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure of the catechol-o-methyl transferase (COMT) enzyme of the subterranean mole rat (Spalax) and the effect of L136M substitution
To be published
6B0T
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BU of 6b0t by Molmil
Structural Insights into the Induced-fit Inhibition of Fascin by a Small Molecule
分子名称: 4-methyl-N-(1-{[4-(trifluoromethyl)phenyl]methyl}-1H-indazol-3-yl)-1,2-oxazole-5-carboxamide, Fascin
著者Dey, R, Huang, X.Y.
登録日2017-09-15
公開日2018-04-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Insights into the Induced-fit Inhibition of Fascin by a Small-Molecule Inhibitor.
J. Mol. Biol., 430, 2018
6E2O
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BU of 6e2o by Molmil
ASK1 kinase domain complex with inhibitor
分子名称: 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5
著者Lansdon, E.B.
登録日2018-07-11
公開日2018-09-19
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.389 Å)
主引用文献ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
6SP1
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BU of 6sp1 by Molmil
KEAP1 IN COMPLEX WITH COMPOUND 6
分子名称: (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1
著者Ontoria, J.M, Biancofiore, I, Fezzardi, P, Torrente de Haro, E, Colarusso, S, Bianchi, E, Andreini, M, Patsilinakos, A, Summa, V, Pacifici, R, Munoz-Sanjuan, I, Park, L, Bresciani, A, Dominguez, C, Toledo-Sherman, L, Harper, S.
登録日2019-08-30
公開日2020-06-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Acs Med.Chem.Lett., 11, 2020
7YQG
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BU of 7yqg by Molmil
Functional and Structural Characterization of Norovirus GII.6 in Recognizing Histo-blood Group Antigens
分子名称: GLYCEROL, VP1, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose
著者Duan, Z.J, Cong, X.
登録日2022-08-06
公開日2023-06-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.698 Å)
主引用文献Functional and structural characterization of Norovirus GII.6 in recognizing histo-blood group antigens.
Virol Sin, 38, 2023
7EHV
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BU of 7ehv by Molmil
Human MTHFD2 in complex with compound 21 and 3
分子名称: (2S)-2-[[4-[(4-azanyl-6-oxidanyl-pyrimidin-5-yl)carbamoylamino]phenyl]carbonylamino]pentanedioic acid, 1-(3,4-dichlorobenzyl)-8-(((1R,4R)-4-hydroxycyclohexyl)amino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione, Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, ...
著者Lee, L.C, Peng, Y.H, Wu, S.Y.
登録日2021-03-30
公開日2021-08-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Xanthine Derivatives Reveal an Allosteric Binding Site in Methylenetetrahydrofolate Dehydrogenase 2 (MTHFD2).
J.Med.Chem., 64, 2021
5EJL
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BU of 5ejl by Molmil
MrkH, A novel c-di-GMP dependence transcription regulatory factor.
分子名称: 1,2-ETHANEDIOL, 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Klebsiella pneumoniae genome assembly NOVST, ...
著者Wang, F, Zhu, D, Gu, L.
登録日2015-11-02
公開日2016-10-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The PilZ domain of MrkH represents a novel DNA binding motif
Protein Cell, 7, 2016
6N61
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BU of 6n61 by Molmil
Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA and Capistruin
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Capistruin, ...
著者Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A.
登録日2018-11-24
公開日2019-01-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.253 Å)
主引用文献Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5EG3
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BU of 5eg3 by Molmil
Crystal Structure of the Activated FGF Receptor 2 (FGFR2) Kinase Domain in complex with the cSH2 domain of Phospholipase C gamma (PLCgamma)
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1, Fibroblast growth factor receptor 2, MAGNESIUM ION, ...
著者Huang, Z, Li, X, Mohammadi, M.
登録日2015-10-26
公開日2016-02-03
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.606 Å)
主引用文献Two FGF Receptor Kinase Molecules Act in Concert to Recruit and Transphosphorylate Phospholipase C gamma.
Mol.Cell, 61, 2016
6MJ7
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BU of 6mj7 by Molmil
Crystal structure of p62 ZZ domain in complex with free arginine
分子名称: 1,4-DIETHYLENE DIOXIDE, ARGININE, Sequestosome-1, ...
著者Ahn, J, Zhang, Y, Kutateladze, T.G.
登録日2018-09-20
公開日2018-10-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.412 Å)
主引用文献ZZ-dependent regulation of p62/SQSTM1 in autophagy.
Nat Commun, 9, 2018
6G7J
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BU of 6g7j by Molmil
Retinal isomerization in bacteriorhodopsin revealed by a femtosecond X-ray laser: 457-646 fs state structure
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, ...
著者Nogly, P, Weinert, T, James, D, Cabajo, S, Ozerov, D, Furrer, A, Gashi, D, Borin, V, Skopintsev, P, Jaeger, K, Nass, K, Bath, P, Bosman, R, Koglin, J, Seaberg, M, Lane, T, Kekilli, D, Bruenle, S, Tanaka, T, Wu, W, Milne, C, White, T, Barty, A, Weierstall, U, Panneels, V, Nango, E, Iwata, S, Hunter, M, Schapiro, I, Schertler, G, Neutze, R, Standfuss, J.
登録日2018-04-06
公開日2018-06-27
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Retinal isomerization in bacteriorhodopsin captured by a femtosecond x-ray laser.
Science, 361, 2018

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