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3BFH
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BU of 3bfh by Molmil
Crystal structure of a pheromone binding protein from Apis mellifera in complex with hexadecanoic acid
分子名称: CHLORIDE ION, PALMITIC ACID, Pheromone-binding protein ASP1
著者Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
登録日2007-11-21
公開日2008-06-10
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis of the honey bee PBP pheromone and pH-induced conformational change
J.Mol.Biol., 380, 2008
3BJP
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BU of 3bjp by Molmil
Urate oxidase cyanide uric acid ternary complex
分子名称: ACETYL GROUP, CYANIDE ION, SODIUM ION, ...
著者Gabison, L, Prange, T, Colloc'h, N, El Hajji, M, Castro, B, Chiadmi, M.
登録日2007-12-04
公開日2008-08-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of urate oxidase in complex with its natural substrate inhibited by cyanide: Mechanistic implications
Bmc Struct.Biol., 8, 2008
3B56
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BU of 3b56 by Molmil
Crystal structure of transthyretin in complex with 3,5-diiodosalicylic acid
分子名称: 2-HYDROXY-3,5-DIIODO-BENZOIC ACID, Transthyretin
著者Gales, L, Damas, A.M.
登録日2007-10-25
公開日2008-01-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Iodination of salicylic acid improves its binding to transthyretin
Biochim.Biophys.Acta, 1784, 2008
2WKZ
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BU of 2wkz by Molmil
HIV-1 Protease Inhibitors Containing a Tertiary Alcohol in the Transition-State Mimic with Improved Cell-Based Antiviral Activity
分子名称: METHYL [(1S)-1-({2-[(3S)-3-BENZYL-3-HYDROXY-4-{[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-4-OXOBUTYL]-2-(4-PYRIDIN-2-YLBENZYL)HYDRAZINO}CARBONYL)-2,2-DIMETHYLPROPYL]CARBAMATE, PROTEASE
著者Mahalingam, A.K, Axelsson, L, Ekegren, J.K, Wannberg, J, Kihlstrom, J, Wallberg, H, Samuelsson, B, Larhed, M, Hallberg, A, Unge, T.
登録日2009-06-19
公開日2009-12-15
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献HIV-1 Protease Inhibitors with a Transition-State Mimic Comprising a Tertiary Alcohol: Improved Antiviral Activity in Cells.
J.Med.Chem., 53, 2010
3B57
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BU of 3b57 by Molmil
Crystal structure of the Lin1889 protein (Q92AN1) from Listeria innocua. Northeast Structural Consortium target LkR65
分子名称: Lin1889 protein, MAGNESIUM ION
著者Kuzin, A.P, Abashidze, M, Seetharaman, J, Benach, J, Forouhar, F, Vorobiev, S.M, Wang, H, Janjua, H, Cunningham, K, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
登録日2007-10-25
公開日2007-11-06
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of the Lin1889 protein (Q92AN1) from Listeria innocua.
To be Published
6Z92
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BU of 6z92 by Molmil
[4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz) solved by Fe-SAD phasing
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DUF523 domain-containing protein, ...
著者Pecqueur, L, Zhou, J, Fontecave, M, Golinelli-Pimpaneau, B.
登録日2020-06-03
公開日2020-09-30
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.067 Å)
主引用文献Structural Evidence for a [4Fe-5S] Intermediate in the Non-Redox Desulfuration of Thiouracil.
Angew.Chem.Int.Ed.Engl., 60, 2021
2X01
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BU of 2x01 by Molmil
CRYSTAL STRUCTURE OF THE OXA-10 S67A MUTANT AT PH 7
分子名称: BETA-LACTAMASE OXA-10, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Vercheval, L, Kerff, F, Bauvois, C, Sauvage, E, Guiet, R, Galleni, M, Charlier, P.
登録日2009-12-04
公開日2010-12-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Evidence of Chloride Inhibition and Impact of the Hydrophobic Core on the Lysine Carboxylated in Class D Beta-Lactamase
To be Published
2X30
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BU of 2x30 by Molmil
Crystal structure of the r139n mutant of a bifunctional enzyme pria
分子名称: PHOSPHORIBOSYL ISOMERASE A, SULFATE ION
著者Noda-Garcia, L, Camacho-Zarco, A.R, Verdel-Aranda, K, Wright, H, Soberon, X, Fulop, V, Barona-Gomez, F.
登録日2010-01-20
公開日2010-02-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Identification and Analysis of Residues Contained on Beta --> Alpha Loops of the Dual-Substrate (Betaalpha)(8) Phosphoribosyl Isomerase a (Pria) Specific for its Phosphoribosyl Anthranilate Isomerase Activity.
Protein Sci., 19, 2010
6Z97
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BU of 6z97 by Molmil
Structure of the prefusion SARS-CoV-2 spike glycoprotein
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, Spike glycoprotein,Fibritin
著者Duyvesteyn, H.M.E, Ren, J, Zhao, Y, Zhou, D, Huo, J, Carrique, L, Malinauskas, T, Ruza, R.R, Shah, P.N.M, Fry, E.E, Owens, R, Stuart, D.I.
登録日2020-06-03
公開日2020-07-01
最終更新日2020-09-23
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
2X78
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BU of 2x78 by Molmil
Human foamy virus integrase - catalytic core.
分子名称: INTEGRASE
著者Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Legrand, P, Silhan, J, Lewit-Bentley, A.
登録日2010-02-24
公開日2010-08-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase
Acta Crystallogr.,Sect.F, 66, 2010
6ZCJ
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BU of 6zcj by Molmil
14-3-3sigma in complex with SLP76pS376 phosphopeptide crystal structure
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, SLP76pS376
著者Soini, L, Leysen, S, Davis, J, Ottmann, C.
登録日2020-06-11
公開日2020-12-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献The 14-3-3/SLP76 protein-protein interaction in T-cell receptor signalling: a structural and biophysical characterization.
Febs Lett., 595, 2021
3BFK
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BU of 3bfk by Molmil
Crystal structure of Plasmodium falciparum Rab11a in complex with GDP
分子名称: GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, Small GTPase Rab11
著者Pizarro, J.C, Sukumar, D, Hassanali, A, Lin, L, Wernimont, A.K, Lew, J, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Structural Genomics Consortium (SGC)
登録日2007-11-21
公開日2007-12-04
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Plasmodium falciparum Rab11a in complex with GDP.
To be Published
3BHV
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BU of 3bhv by Molmil
Structure of phosphorylated Thr160 CDK2/cyclin A in complex with the inhibitor variolin B
分子名称: 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol, Cell division protein kinase 2, Cyclin-A2, ...
著者Echalier, A, Bettayeb, K, Ferandin, Y, Lozach, O, Clement, M, Valette, A, Liger, F, Marquet, B, Morris, J.C, Endicott, J.A, Joseph, B, Meijer, L.
登録日2007-11-29
公開日2008-02-12
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Meriolins, a new class of cell death inducing kinase inhibitors with enhanced selectivity for cyclin-dependent kinases
Cancer Res., 67, 2007
2WHS
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BU of 2whs by Molmil
Fluorescent Protein mKeima at pH 3.8
分子名称: LARGE STOKES SHIFT FLUORESCENT PROTEIN, SULFATE ION
著者Violot, S, Carpentier, P, Blanchoin, L, Bourgeois, D.
登録日2009-05-06
公開日2009-08-11
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Reverse Ph-Dependence of Chromophore Protonation Explains the Large Stokes Shift of the Red Fluorescent Protein Mkeima.
J.Am.Chem.Soc., 131, 2009
3BIP
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BU of 3bip by Molmil
Crystal structure of yeast Spt16 N-terminal Domain
分子名称: FACT complex subunit SPT16
著者VanDemark, A.P, Xin, H, McCullough, L, Rawlins, R, Bentley, S, Heroux, A, David, S.J, Hill, C.P, Formosa, T.
登録日2007-11-30
公開日2007-12-18
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural and functional analysis of the Spt16p N-terminal domain reveals overlapping roles of yFACT subunits.
J.Biol.Chem., 283, 2008
6Z94
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BU of 6z94 by Molmil
[4Fe-4S]-dependent thiouracil desulfidase TudS (DUF523Vcz)(S-SAD data)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, DUF523 domain-containing protein, ...
著者Pecqueur, L, Zhou, J, Fontecave, M, Golinelli-Pimpaneau, B.
登録日2020-06-03
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.759 Å)
主引用文献Structural Evidence for a [4Fe-5S] Intermediate in the Non-Redox Desulfuration of Thiouracil.
Angew.Chem.Int.Ed.Engl., 60, 2021
2WYG
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BU of 2wyg by Molmil
Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs
分子名称: (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN
著者Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J.
登録日2009-11-16
公開日2010-12-01
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs
Bioorg.Med.Chem.Lett., 20, 2010
6Z11
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Structure of Mycobacterium smegmatis HelD protein in complex with RNA polymerase core - State III, primary channel dis-engaged and active site interfering
分子名称: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
著者Kouba, T, Koval, T, Krasny, L, Dohnalek, J.
登録日2020-05-11
公開日2020-11-04
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献HelD, a helicase-like protein from gram-positive bacteria in complex with RNA polymerase
To Be Published
6ZCM
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BU of 6zcm by Molmil
Crystal structure of YTHDC1 with compound DHU_DC1_180
分子名称: 6-[[cyclopropyl-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1
著者Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A.
登録日2020-06-11
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
6Z43
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Cryo-EM Structure of SARS-CoV-2 Spike : H11-D4 Nanobody Complex
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, Nanobody, ...
著者Ruza, R.R, Duyvesteyn, H.M.E, Shah, P, Carrique, L, Ren, J, Malinauskas, T, Zhou, D, Stuart, D.I, Naismith, J.H.
登録日2020-05-22
公開日2020-06-03
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for a potent neutralising single-domain antibody that blocks SARS-CoV-2 binding to its receptor ACE2
To Be Published
2WW8
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BU of 2ww8 by Molmil
Structure of the pilus adhesin (RrgA) from Streptococcus pneumoniae
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, CELL WALL SURFACE ANCHOR FAMILY PROTEIN, ...
著者Izore, T, Contreras-Martel, C, El-Mortaji, L, Manzano, C, Terrasse, R, Vernet, T, Di-Guilmi, A.M, Dessen, A.
登録日2009-10-22
公開日2010-01-19
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis of Host Cell Recognition by the Pilus Adhesin from Streptococcus Pneumoniae
Structure, 18, 2010
2X64
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GLUTATHIONE-S-TRANSFERASE FROM XYLELLA FASTIDIOSA
分子名称: CHLORIDE ION, GLUTATHIONE, GLUTATHIONE-S-TRANSFERASE
著者Muniz, J.R.C, Rodrigues, N.C, Bleicher, L, Travensolo, R.F, Garcia, W.
登録日2010-02-14
公開日2010-03-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and Biophysical Characterization of the Recombinant Glutathione-S-Transferase from Xylella
To be Published
2WYX
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Neutron structure of a class A Beta-lactamase Toho-1 E166A R274N R276N triple mutant
分子名称: BETA-LACTAMSE TOHO-1
著者Tomanicek, S.J, Blakeley, M.P, Cooper, J, Chen, Y, Afonine, P, Coates, L.
登録日2009-11-20
公開日2010-01-12
最終更新日2024-05-08
実験手法NEUTRON DIFFRACTION (2.1 Å)
主引用文献Neutron Diffraction Studies of a Class a Beta-Lactamase Toho-1 E166A R274N R276N Triple Mutant
J.Mol.Biol., 396, 2010
2XCN
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Crystal structure of HCV NS3 protease with a boronate inhibitor
分子名称: MAGNESIUM ION, N-[(CYCLOPENTYLOXY)CARBONYL]-3-METHYL-L-VALYL-(4R)-N-{(1R)-3-HYDROXY-1-[HYDROXY(OXIDO)BORANYL]PROPYL}-4-(ISOQUINOLIN-1-YLOXY)-L-PROLINAMIDE, NS3 PROTEASE, ...
著者Li, X, Zhang, Y.-K, Liu, Y, Ding, C.Z, Li, Q, Zhou, Y, Plattner, J.J, Baker, S.J, Qian, X, Fan, D, Liao, L, Ni, Z.-J, White, G.V, Mordaunt, J.E, Lazarides, L.X, Slater, M.J, Jarvest, R.L, Thommes, P, Ellis, M, Edge, C.M, Hubbard, J.A, Nassau, P, McDowell, B, Skarzynski, T.J, Rowland, P, Somers, D.O, Kazmierski, W.M, Grimes, R.M, Wright, L.L, Smith, G.K, Zou, W, Wright, J, Pennicott, L.E.
登録日2010-04-23
公開日2010-06-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献Synthesis and Evaluation of Novel Alpha-Amino Cyclic Boronates as Inhibitors of Hcv Ns3 Protease.
Bioorg.Med.Chem.Lett., 20, 2010
6ZJH
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Trehalose transferase from Thermoproteus uzoniensis soaked with trehalose
分子名称: GLYCEROL, Trehalose phosphorylase/synthase, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
著者Bento, I, Mestrom, L, Marsden, S.R, van der Eijk, H, Laustsen, J.U, Jeffries, C.M, Svergun, D.I, Hagedoorn, P.-H, Hanefeld, U.
登録日2020-06-29
公開日2020-11-25
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Anomeric Selectivity of Trehalose Transferase with Rare l-Sugars.
Acs Catalysis, 10, 2020

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