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5FW5
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Crystal structure of human G3BP1 in complex with Semliki Forest Virus nsP3-25 comprising two FGDF motives
分子名称: ACETATE ION, GLYCEROL, NON-STRUCTURAL PROTEIN 3, ...
著者Schulte, T, Liu, L, Panas, M.D, Thaa, B, Goette, B, Achour, A, McInerney, G.M.
登録日2016-02-12
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Combined structural, biochemical and cellular evidence demonstrates that both FGDF motifs in alphavirus nsP3 are required for efficient replication.
Open Biol, 6, 2016
4MW7
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BU of 4mw7 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1469)
分子名称: 1-{3-[(5-chloro-2-ethoxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
4HPD
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BU of 4hpd by Molmil
Crystal structure of Nitrophorin 4 from Rhodnius prolixus Complexed with homocysteine at pH 7.4
分子名称: 2-AMINO-4-MERCAPTO-BUTYRIC ACID, Nitrophorin-4, PROTOPORPHYRIN IX CONTAINING FE
著者Nishikawa, K, Ogata, H, Knipp, M.
登録日2012-10-23
公開日2013-03-20
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Complexes of ferriheme nitrophorin 4 with low-molecular weight thiol(ate)s occurring in blood plasma
J.Inorg.Biochem., 122, 2013
5CAU
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BU of 5cau by Molmil
EGFR kinase domain mutant "TMLR" with compound 41b
分子名称: (1R)-1-{6-({2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl}amino)-1-[(2S)-1,1,1-trifluoropropan-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl}ethanol, Epidermal growth factor receptor, SULFATE ION
著者Eigenbrot, C, Yu, C.
登録日2015-06-29
公開日2015-10-28
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
2WJQ
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BU of 2wjq by Molmil
NanC porin structure in hexagonal crystal form.
分子名称: CHLORIDE ION, LAURYL DIMETHYLAMINE-N-OXIDE, N-OCTANE, ...
著者Wirth, C, Condemine, G, Schirmer, T, Peneff, C.M.
登録日2009-05-28
公開日2009-10-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Nanc Crystal Structure, a Model for Outer Membrane Channels of the Acidic Sugar-Specific Kdgm Porin Family.
J.Mol.Biol., 394, 2009
4MWO
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BU of 4mwo by Molmil
Crystal structure of human mitochondrial 5'(3')-deoxyribonucleotidase in complex with the inhibitor CPB-T
分子名称: 1-{3,5-O-[(4-carboxyphenyl)(phosphono)methylidene]-2-deoxy-beta-D-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, mitochondrial, ...
著者Pachl, P, Rezacova, P, Brynda, J.
登録日2013-09-25
公開日2014-09-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Conformationally constrained nucleoside phosphonic acids - potent inhibitors of human mitochondrial and cytosolic 5'(3')-nucleotidases.
Org.Biomol.Chem., 12, 2014
3CKT
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BU of 3ckt by Molmil
HIV-1 protease in complex with a dimethylallyl decorated pyrrolidine based inhibitor (orthorombic space group)
分子名称: (3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine, CHLORIDE ION, Protease
著者Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G.
登録日2008-03-17
公開日2009-03-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Two Solutions for the Same Problem: Multiple Binding Modes of Pyrrolidine-Based HIV-1 Protease Inhibitors
J.Mol.Biol., 410, 2011
8V4H
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BU of 8v4h by Molmil
X-ray structure of the NADP-dependent reductase from Campylobacter jejuni responsible for the synthesis of CDP-glucitol in the presence of CDP-glucitol
分子名称: CHLORIDE ION, PHOSPHATE ION, Putative nucleotide sugar dehydratase, ...
著者Thoden, J.B, Schumann, M.E, Holden, H.M, Raushel, F.M.
登録日2023-11-29
公開日2023-12-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Biosynthesis of Cytidine Diphosphate-6-d-Glucitol for the Capsular Polysaccharides of Campylobacter jejuni.
Biochemistry, 63, 2024
2BSS
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BU of 2bss by Molmil
Crystal structures and KIR3DL1 recognition of three immunodominant viral peptides complexed to HLA-B2705
分子名称: BETA-2-MICROGLOBULIN, HIV PEPTIDE, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN B-27 ALPHA CHAIN
著者Stewart-Jones, G.B.E, Di Gleria, K, Kollnberger, S, Mcmichael, A.J, Jones, E.Y, Bowness, P.
登録日2005-05-23
公開日2005-05-24
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures and Kir3Dl1 Recognition of Three Immunodominant Viral Peptides Complexed to Hla-B2705
Eur.J.Immunol., 35, 2005
3CL0
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BU of 3cl0 by Molmil
N1 Neuraminidase H274Y + oseltamivir
分子名称: (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
著者Collins, P, Haire, L.F, Lin, Y.P, Liu, J, Russell, R.J, Walker, P.A, Skehel, J.J, Martin, S.R, Hay, A.J, Gamblin, S.J.
登録日2008-03-18
公開日2008-05-20
最終更新日2018-08-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of oseltamivir-resistant influenza virus neuraminidase mutants.
Nature, 453, 2008
5FOC
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BU of 5foc by Molmil
Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P21)
分子名称: LEUCYL-TRNA SYNTHETASE
著者Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J.
登録日2015-11-19
公開日2016-06-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FOF
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BU of 5fof by Molmil
Crystal structure of the P.knowlesi cytosolic leucyl-tRNA synthetase editing domain
分子名称: LEUCYL-TRNA SYNTHETASE
著者Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J.
登録日2015-11-19
公開日2016-06-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5FOD
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BU of 5fod by Molmil
Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P1) containing deletions of insertions 1 and 3
分子名称: 1,2-ETHANEDIOL, LEUCYL-TRNA SYNTHETASE
著者Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J.
登録日2015-11-19
公開日2016-06-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5CDF
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BU of 5cdf by Molmil
Structure at 2.3 A of the alpha/beta monomer of the F-ATPase from Paracoccus denitrificans
分子名称: ATP synthase subunit alpha, ATP synthase subunit beta, GLYCEROL, ...
著者Morales-Rios, E, Montgomery, M.G, Leslie, A.G.W, Garcia-Trejo, J.J, Walker, J.E.
登録日2015-07-03
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a catalytic dimer of the alpha- and beta-subunits of the F-ATPase from Paracoccus denitrificans at 2.3 angstrom resolution.
Acta Crystallogr.,Sect.F, 71, 2015
4MXU
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BU of 4mxu by Molmil
Human brain aspartoacylase mutant K213E complex with intermediate analog (N-phosphonomethyl-L-aspartate)
分子名称: Aspartoacylase, N-[HYDROXY(METHYL)PHOSPHORYL]-L-ASPARTIC ACID, ZINC ION
著者Wijayasinghe, Y.S, Pavlovsky, A.G, Viola, R.E.
登録日2013-09-26
公開日2014-07-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Aspartoacylase catalytic deficiency as the cause of canavan disease: a structural perspective.
Biochemistry, 53, 2014
2WS3
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BU of 2ws3 by Molmil
Crystal structure of the E. coli succinate:quinone oxidoreductase (SQR) SdhD Tyr83Phe mutant
分子名称: 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
著者Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G.
登録日2009-09-03
公開日2010-08-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Succinate Dehydrogenase Activity
To be Published
5FO4
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BU of 5fo4 by Molmil
Crystal structure of the P.falciparum cytosolic leucyl-tRNA synthetase editing domain (space group P1)
分子名称: LEUCYL TRNA SYNTHASE
著者Palencia, A, Sonoiki, E, Guo, D, Ahyong, V, Dong, C, Li, X, Hernandez, V.S, Gut, J, Legac, J, Cooper, R, Alley, M.R.K, Freund, Y.R, DeRisi, J, Cusack, S, Rosenthal, P.J.
登録日2015-11-18
公開日2016-06-22
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Anti-Malarial Benzoxaboroles Target P. Falciparum Leucyl-tRNA Synthetase.
Antimicrob.Agents Chemother., 60, 2016
5C8T
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BU of 5c8t by Molmil
Crystal structure of the SARS coronavirus nsp14-nsp10 complex with functional ligand SAM
分子名称: Guanine-N7 methyltransferase, MAGNESIUM ION, Non-structural protein 10, ...
著者Ma, Y.Y, Wu, L.J, Zhang, R.G, Rao, Z.H.
登録日2015-06-26
公開日2015-07-15
最終更新日2015-08-12
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural basis and functional analysis of the SARS coronavirus nsp14-nsp10 complex
Proc.Natl.Acad.Sci.USA, 112, 2015
8UHI
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BU of 8uhi by Molmil
Structure of the far-red light-absorbing allophycocyanin core expressed during FaRLiP
分子名称: MAGNESIUM ION, RIBULOSE-1,5-DIPHOSPHATE, Ribulose bisphosphate carboxylase large subunit, ...
著者Gisriel, C.J, Bryant, D.A, Brudvig, G.W, Shen, G.
登録日2023-10-09
公開日2024-01-03
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.35 Å)
主引用文献Structure of the antenna complex expressed during far-red light photoacclimation in Synechococcus sp. PCC 7335.
J.Biol.Chem., 300, 2023
7KPU
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BU of 7kpu by Molmil
Crystal structure of human NatD (NAA40) bound to a bisubstrate analogue with a C-3 linker
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL GROUP, AMINO GROUP, ...
著者Deng, S, Marmorstein, R.
登録日2020-11-12
公開日2021-06-16
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Novel Bisubstrate Inhibitors for Protein N-Terminal Acetyltransferase D.
J.Med.Chem., 64, 2021
4MY3
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BU of 4my3 by Molmil
Crystal Structure of GCN5-related N-acetyltransferase from Kribbella flavida
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, GCN5-related N-acetyltransferase
著者Kim, Y, Mack, J, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2013-09-27
公開日2013-10-09
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Crystal Structure of GCN5-related N-acetyltransferase from Kribbella flavida
To be Published
5FLG
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BU of 5flg by Molmil
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with AMPPNP
分子名称: 6-CARBOXYHEXANOATE--COA LIGASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H.
登録日2015-10-26
公開日2016-11-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Nat. Chem. Biol., 13, 2017
7QY2
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BU of 7qy2 by Molmil
X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 2
分子名称: (2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Dahms, S.O, Brandstetter, H, Pautsch, A.
登録日2022-01-27
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
3CNM
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BU of 3cnm by Molmil
Crystal Structure of Phenazine Biosynthesis Protein PhzA/B from Burkholderia cepacia R18194, DHHA complex
分子名称: (2S,3S)-TRANS-2,3-DIHYDRO-3-HYDROXYANTHRANILIC ACID, ACETATE ION, Phenazine biosynthesis protein A/B
著者Ahuja, E.G, Blankenfeldt, W.
登録日2008-03-26
公開日2008-12-30
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献PhzA/B catalyzes the formation of the tricycle in phenazine biosynthesis.
J.Am.Chem.Soc., 130, 2008
7Q62
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BU of 7q62 by Molmil
Structure of TEV cleaved A2ML1 dimer (A2ML1-TT dimer)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-2-macroglobulin-like protein 1
著者Nielsen, N.S, Zarantonello, A, Andersen, G.R.
登録日2021-11-05
公開日2022-04-20
最終更新日2022-11-02
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family.
Nat Commun, 13, 2022

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