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6P8T
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BU of 6p8t by Molmil
Acinetobacter baumannii tRNA synthetase in complex with compound 1
分子名称: MAGNESIUM ION, N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine, Phenylalanine--tRNA ligase alpha subunit, ...
著者Kahne, D, Baidin, V, Owens, T.W.
登録日2019-06-07
公開日2020-11-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
6PJJ
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Human PRPF4B bound to benzothiophene inhibitor 224
分子名称: 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, PHOSPHATE ION, ...
著者Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2019-06-28
公開日2019-08-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献to be published
To Be Published
5M60
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Chaetomium thermophilum beta-1-3-glucanase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-1,3-glucanase, SODIUM ION, ...
著者Papageorgiou, A.C, Chen, J, Li, D.
登録日2016-10-23
公開日2017-05-17
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystal structure and biological implications of a glycoside hydrolase family 55 beta-1,3-glucanase from Chaetomium thermophilum.
Biochim. Biophys. Acta, 1865, 2017
6PEY
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BU of 6pey by Molmil
MTHFR with mutation Asp120Ala
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase
著者Gallagher, E.L, Gurney, L.A, Frasco, F.G, Trimmer, E, Bolen, R.L, Collins, K, Garland, E, Halloran, J, Handley-Pendelton, J, Hernandez, V, Leffler, S, Perez, A, Soares, A, Stojanoff, V, Williams, D.
登録日2019-06-21
公開日2019-09-25
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Examination of Asp120Ala a Chemically Important Novel Mutation in the Enzyme Mthylenetetrahydrofolate Reductase
To be published
6PDI
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Human PIM1 bound to benzothiophene inhibitor 224
分子名称: 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, GLYCEROL, ...
著者Godoi, P.H.C, Fala, A.M, Santiago, A.S, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2019-06-19
公開日2019-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Human PIM1
To Be Published
6PIM
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Crystal Structure of Human Protocadherin-1 EC3-4
分子名称: CALCIUM ION, Protocadherin-1
著者Modak, D, Sotomayor, M.
登録日2019-06-26
公開日2019-10-09
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Identification of an adhesive interface for the non-clustered delta 1 protocadherin-1 involved in respiratory diseases.
Commun Biol, 2, 2019
6PK8
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Antibody scFv-M204 dimeric state
分子名称: SULFATE ION, scFv-M204 antibody
著者Abskharon, R, Sawaya, M.R, Seidler, P.M, Cascio, D, Eisenberg, D.S.
登録日2019-06-28
公開日2020-06-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Crystal structure of a conformational antibody that binds tau oligomers and inhibits pathological seeding by extracts from donors with Alzheimer's disease.
J.Biol.Chem., 295, 2020
6PB1
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Cryo-EM structure of Urocortin 1-bound Corticotropin-releasing factor 2 receptor in complex with Gs protein and Nb35
分子名称: CHOLESTEROL, Corticotropin-releasing factor receptor 2, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Ma, S, Shen, Q, Zhao, L.-H, Mao, C, Zhou, X.E, Shen, D.-D, de Waal, P.W, Bi, P, Li, C, Jiang, Y, Wang, M.-W, Sexton, P.M, Wootten, D, Melcher, K, Zhang, Y, Xu, H.E.
登録日2019-06-12
公開日2020-02-12
最終更新日2020-02-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular Basis for Hormone Recognition and Activation of Corticotropin-Releasing Factor Receptors.
Mol.Cell, 77, 2020
4X31
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BU of 4x31 by Molmil
Room temperature structure of bacteriorhodopsin from lipidic cubic phase obtained with serial millisecond crystallography using synchrotron radiation
分子名称: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
著者Nogly, P, James, D, Wang, D, White, T, Zatsepin, N, Shilova, A, Nelson, G, Liu, H, Johansson, L, Heymann, M, Jaeger, K, Metz, M, Wickstrand, C, Wu, W, Baath, P, Berntsen, P, Oberthuer, D, Panneels, V, Cherezov, V, Chapman, H, Spence, J, Schertler, G, Neutze, R, Moraes, I, Burghammer, M, Standfuss, J, Weierstall, U.
登録日2014-11-27
公開日2015-02-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Lipidic cubic phase serial millisecond crystallography using synchrotron radiation.
Iucrj, 2, 2015
2W3Y
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BU of 2w3y by Molmil
Structure of the Evf virulence factor
分子名称: PALMITIC ACID, VIRULENCE FACTOR
著者Quevillon-Cheruel, S, Leulliot, N, Acosta Muniz C, C, Vincent, M, Gallay, J, Argentini, M, Cornu, D, Boccard, F, Lemaitre, B, van Tilbeurgh, H.
登録日2008-11-17
公開日2008-12-30
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Evf, a Virulence Factor Produced by the Drosophila Pathogen Erwinia Carotovora is a S-Palmitoylated Protein with a New Fold that Binds to Lipid Vesicles.
J.Biol.Chem., 284, 2009
2WGT
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BU of 2wgt by Molmil
Structure of human adenovirus serotype 37 fibre head in complex with a sialic acid derivative, O-Methyl 5-N-propaonyl-3,5-dideoxy-D- glycero-a-D-galacto-2-nonulopyranosylonic acid
分子名称: 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, FIBER PROTEIN, ZINC ION
著者Johansson, S, Nilsson, E, Qian, W, Guilligay, D, Crepin, T, Cusack, S, Arnberg, N, Elofsson, M.
登録日2009-04-27
公開日2009-11-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Design, Synthesis, and Evaluation of N-Acyl Modified Sialic Acids as Inhibitors of Adenoviruses Causing Epidemic Keratoconjunctivitis.
J.Med.Chem., 52, 2009
1JMM
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BU of 1jmm by Molmil
Crystal structure of the V-region of Streptococcus mutans antigen I/II
分子名称: SODIUM ION, protein I/II V-region
著者Troffer-Charlier, N, Ogier, J, Moras, D, Cavarelli, J.
登録日2001-07-19
公開日2002-07-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the V-region of Streptococcus mutans Antigen I/II at 2.4 a Resolution Suggests a Sugar Preformed Binding Site
J.Mol.Biol., 318, 2002
2J95
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CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
分子名称: 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ...
著者Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P.
登録日2006-11-02
公開日2007-03-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
2W5J
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BU of 2w5j by Molmil
Structure of the c14-rotor ring of the proton translocating chloroplast ATP synthase
分子名称: ATP SYNTHASE C CHAIN, CHLOROPLASTIC
著者Vollmar, M, Schlieper, D, Winn, M, Buechner, C, Groth, G.
登録日2008-12-10
公開日2009-05-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献Structure of the c14 rotor ring of the proton translocating chloroplast ATP synthase.
J. Biol. Chem., 284, 2009
2WBA
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Properties of Trypanothione Reductase From T. brucei
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Jones, D, Ariza, A, Chow, W.H.A, Oza, S.L, Fairlamb, A.H.
登録日2009-02-24
公開日2009-11-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Comparative Structural, Kinetic and Inhibitor Studies of Trypanosoma Brucei Trypanothione Reductase with T. Cruzi.
Mol.Biochem.Parasitol., 169, 2010
2II0
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BU of 2ii0 by Molmil
Crystal Structure of catalytic domain of Son of sevenless (Rem-Cdc25) in the absence of Ras
分子名称: Son of sevenless homolog 1
著者Freedman, T.S, Sondermann, H, Friedland, G.D, Kortemme, T, Bar-Sagi, D, Marqusee, S, Kuriyan, J.
登録日2006-09-27
公開日2006-10-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献A Ras-induced conformational switch in the Ras activator Son of sevenless.
Proc.Natl.Acad.Sci.Usa, 103, 2006
1JQI
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Crystal Structure of Rat Short Chain Acyl-CoA Dehydrogenase Complexed With Acetoacetyl-CoA
分子名称: ACETOACETYL-COENZYME A, FLAVIN-ADENINE DINUCLEOTIDE, short chain acyl-CoA dehydrogenase
著者Battaile, K.P, Molin-Case, J, Paschke, R, Wang, M, Bennett, D, Vockley, J, Kim, J.-J.P.
登録日2001-08-07
公開日2002-02-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of rat short chain acyl-CoA dehydrogenase complexed with acetoacetyl-CoA: comparison with other acyl-CoA dehydrogenases.
J.Biol.Chem., 277, 2002
2IJ5
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Crystal structure of cytochrome P450 CYP121, P212121 space group
分子名称: Cytochrome P450 121, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Roujeinikova, A, Leys, D.
登録日2006-09-29
公開日2006-11-07
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the Mycobacterium tuberculosis P450 CYP121-fluconazole complex reveals new azole drug-P450 binding mode.
J.Biol.Chem., 281, 2006
1JRE
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DNA PROTECTION AND BINDING BY E. COLI DPS PROTEIN
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, DNA PROTECTION DURING STARVATION PROTEIN
著者Luo, J, Liu, D, White, M.A, Fox, R.O.
登録日2001-08-13
公開日2003-06-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献DNA Protection and Binding by E. Coli Dps Protein
To be Published
2W9D
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Structure of Fab fragment of the ICSM 18 - anti-Prp therapeutic antibody at 1.57 A resolution.
分子名称: CALCIUM ION, ICSM 18-ANTI-PRP THERAPEUTIC FAB HEAVY CHAIN, ICSM 18-ANTI-PRP THERAPEUTIC FAB LIGHT CHAIN
著者Antonyuk, S.V, Trevitt, C.R, Strange, R.W, Jackson, G.S, Sangar, D, Batchelor, M, Jones, S, Georgiou, T, Cooper, S, Fraser, C, Khalili-Shirazi, A, Clarke, A.R, Hasnain, S.S, Collinge, J.
登録日2009-01-23
公開日2009-02-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献Crystal Structure of Human Prion Protein Bound to a Therapeutic Antibody.
Proc.Natl.Acad.Sci.USA, 106, 2009
1JTO
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Degenerate interfaces in antigen-antibody complexes
分子名称: Lysozyme, Vh Single-Domain Antibody
著者Decanniere, K, Transue, T.R, Desmyter, A, Maes, D, Muyldermans, S, Wyns, L.
登録日2001-08-21
公開日2001-10-31
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Degenerate interfaces in antigen-antibody complexes.
J.Mol.Biol., 313, 2001
2W1C
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Structure determination of Aurora Kinase in complex with inhibitor
分子名称: 4-{[2-(4-{[(4-FLUOROPHENYL)CARBONYL]AMINO}-1H-PYRAZOL-3-YL)-1H-BENZIMIDAZOL-6-YL]METHYL}MORPHOLIN-4-IUM, SERINE/THREONINE-PROTEIN KINASE 6
著者Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G.
登録日2008-10-17
公開日2009-01-27
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.24 Å)
主引用文献Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity.
J.Med.Chem., 52, 2009
2W04
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Co-complex Structure of Achromobactin Synthetase Protein D (AcsD) with citrate in ATP binding site from Pectobacterium Chrysanthemi
分子名称: ACSD, CITRATE ANION
著者Schmelz, S, McMahon, S.A, Kadi, N, Song, L, Oves-Costales, D, Oke, M, Liu, H, Johnson, K.A, Carter, L, White, M.F, Challis, G.L, Naismith, J.H.
登録日2008-08-08
公開日2009-01-13
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Acsd Catalyzes Enantioselective Citrate Desymmetrization in Siderophore Biosynthesis
Nat.Chem.Biol., 5, 2009
2W1J
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CRYSTAL STRUCTURE OF SORTASE C-1 (SRTC-1) from Streptococcus pneumoniae
分子名称: GLYCEROL, PUTATIVE SORTASE
著者Manzano, C, Contreras-Martel, C, El Mortaji, L, Izore, T, Fenel, D, Vernet, T, Schoehn, G, Di Guilmi, A.M, Dessen, A.
登録日2008-10-17
公開日2008-12-23
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Sortase-Mediated Pilus Fiber Biogenesis in Streptococcus Pneumoniae.
Structure, 16, 2008
2IUP
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CRYSTAL STRUCTURE OF DITHIONITE-REDUCED AROMATIC AMINE DEHYDROGENASE (AADH) FROM ALCALIGENES FAECALIS
分子名称: AROMATIC AMINE DEHYDROGENASE ALPHA SUBUNIT, AROMATIC AMINE DEHYDROGENASE BETA SUBUNIT
著者Roujeinikova, A, Scrutton, N, Leys, D.
登録日2006-06-07
公開日2006-09-20
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Atomic level insight into the oxidative half-reaction of aromatic amine dehydrogenase.
J. Biol. Chem., 281, 2006

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