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5LC6
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BU of 5lc6 by Molmil
Crystal structure of a single chain monellin mutant: Q28K/C41S/Y65R-MNEI
分子名称: Monellin chain B,Monellin chain A, SULFATE ION
著者Pica, A, Merlino, A.
登録日2016-06-19
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Sweeter and stronger: enhancing sweetness and stability of the single chain monellin MNEI through molecular design.
Sci Rep, 6, 2016
1XYA
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BU of 1xya by Molmil
X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS
分子名称: HYDROXIDE ION, MAGNESIUM ION, XYLOSE ISOMERASE
著者Lavie, A, Allen, K.N, Petsko, G.A, Ringe, D.
登録日1994-01-03
公開日1994-05-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献X-ray crystallographic structures of D-xylose isomerase-substrate complexes position the substrate and provide evidence for metal movement during catalysis.
Biochemistry, 33, 1994
4O90
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BU of 4o90 by Molmil
Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.6A resolution
分子名称: Chorismate synthase, GLYCEROL, L(+)-TARTARIC ACID
著者Chaudhary, A, Singh, N, Shukla, P.K, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2013-12-31
公開日2014-01-22
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Crystal structure of chorismate synthase from Acinetobacter baumannii at 2.6A resolution
To be Published
4OAV
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BU of 4oav by Molmil
Complete human RNase L in complex with 2-5A (5'-ppp heptamer), AMPPCP and RNA substrate.
分子名称: (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-({[(S)-hydroxy{[(2R,3S,4S)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy}phosphoryl]oxy}methyl)tetrahydrofuran-3-yl dihydrogen phosphate, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Han, Y, Donovan, J, Rath, S, Whitney, G, Chitrakar, A, Korennykh, A.
登録日2014-01-06
公開日2014-03-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of human RNase L reveals the basis for regulated RNA decay in the IFN response.
Science, 343, 2014
4OHY
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BU of 4ohy by Molmil
C. Elegans Clp1 bound to ssRNA dinucleotide GC, AMP-PNP, and Mg2+(inhibited substrate bound state)
分子名称: MAGNESIUM ION, NONAETHYLENE GLYCOL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Dikfidan, A, Loll, B, Zeymer, C, Clausen, T, Meinhart, A.
登録日2014-01-18
公開日2014-05-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献RNA specificity and regulation of catalysis in the eukaryotic polynucleotide kinase clp1.
Mol.Cell, 54, 2014
8C9M
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BU of 8c9m by Molmil
HERV-K Gag immature lattice
分子名称: Gag protein
著者Krebs, A.-S, Liu, H.-F, Zhou, Y, Rey, J.S, Levintov, L, Perilla, J.R, Bartesaghi, A, Zhang, P.
登録日2023-01-23
公開日2023-02-01
最終更新日2023-07-05
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Molecular architecture and conservation of an immature human endogenous retrovirus.
Biorxiv, 2023
7M8W
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BU of 7m8w by Molmil
XFEL crystal structure of the prostaglandin D2 receptor CRTH2 in complex with 15R-methyl-PGD2
分子名称: 15R-methyl-prostaglandin D2, CITRATE ANION, Prostaglandin D2 receptor 2, ...
著者Shiriaeva, A, Han, G.W, Cherezov, V.
登録日2021-03-30
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Molecular basis for lipid recognition by the prostaglandin D 2 receptor CRTH2.
Proc.Natl.Acad.Sci.USA, 118, 2021
2X9C
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BU of 2x9c by Molmil
Crystal structure of a soluble PrgI mutant from Salmonella Typhimurium
分子名称: PROTEIN PRGI
著者Poyraz, O, Schmidt, H, Seidel, K, Delissen, F, Ader, C, Tenenboim, H, Goosmann, C, Laube, B, Thuenemann, A.F, Zychlinsky, A, Baldus, M, Lange, A, Griesinger, C, Kolbe, M.
登録日2010-03-15
公開日2010-06-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Protein Refolding is Required for Assembly of the Type Three Secretion Needle
Nat.Struct.Mol.Biol., 17, 2010
2X1Q
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BU of 2x1q by Molmil
Gelsolin Nanobody
分子名称: GELSOLIN NANOBODY
著者Van Den Abbeele, A, Declercq, S, De Ganck, A, De Corte, V, Van Loo, B, Srinivasan, V, Steyaert, J, Van De Kerckhove, J, Gettemans, J.
登録日2010-01-03
公開日2011-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献A Llama-Derived Gelsolin Single-Domain Antibody Blocks Gelsolin-G-Actin Interaction.
Cell.Mol.Life Sci., 67, 2010
3M6X
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BU of 3m6x by Molmil
Multi-site-specific 16S rRNA methyltransferase RsmF from Thermus thermophilus in space group P21212
分子名称: CHLORIDE ION, rRNA methylase
著者Demirci, H, Larsen, H.G.L, Hansen, T, Rasmussen, A, Cadambi, A, Gregory, S.T, Kirpekar, F, Jogl, G.
登録日2010-03-16
公開日2010-03-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.676 Å)
主引用文献Multi-site-specific 16S rRNA methyltransferase RsmF from Thermus thermophilus.
Rna, 16, 2010
5DN3
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BU of 5dn3 by Molmil
Aurora A in complex with ATP and AA35.
分子名称: 2-(3-bromophenyl)-8-fluoroquinoline-4-carboxylic acid, ADENOSINE-5'-TRIPHOSPHATE, Aurora kinase A, ...
著者Janecek, M, Rossmann, M, Sharma, P, Emery, A, McKenzie, G, Huggins, D, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.
登録日2015-09-09
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Allosteric modulation of AURKA kinase activity by a small-molecule inhibitor of its protein-protein interaction with TPX2.
Sci Rep, 6, 2016
4LZ4
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BU of 4lz4 by Molmil
X-ray structure of the complex between human thrombin and the TBA deletion mutant lacking thymine 3 nucleobase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, POTASSIUM ION, ...
著者Pica, A, Russo Krauss, I, Merlino, A, Sica, F.
登録日2013-07-31
公開日2014-01-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Dissecting the contribution of thrombin exosite I in the recognition of thrombin binding aptamer.
Febs J., 280, 2013
3H2W
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BU of 3h2w by Molmil
Structure of A. acidocaldarius cellulase CelA in complex with cellobiose
分子名称: CALCIUM ION, COBALT (II) ION, Cellulase, ...
著者Morera, S, Vigouroux, A.
登録日2009-04-14
公開日2009-10-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Crystal structures of A. acidocaldarius endoglucanase Cel9A in complex with Cello-oligosaccharides: strong -1 and -2 subsites mimic cellobiohydrolase activity
J.Mol.Biol., 394, 2009
5L8V
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BU of 5l8v by Molmil
Apo-structure of humanised RadA-mutant humRadA4
分子名称: DNA repair and recombination protein RadA, PHOSPHATE ION
著者Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2016-06-08
公開日2016-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
1V6K
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BU of 1v6k by Molmil
Peanut lectin-lactose complex in the presence of peptide(IWSSAGNVA)
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
著者Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M.
登録日2003-12-01
公開日2004-02-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
5LCE
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BU of 5lce by Molmil
Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(5-chloro-2-(hydroxymethyl)benzy l)pyrrolidine-2-carboxamide
分子名称: (2~{S})-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]-~{N}-[[5-chloranyl-2-(hydroxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2016-06-21
公開日2017-07-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019
5LL6
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BU of 5ll6 by Molmil
Structure of the 40S ABCE1 post-splitting complex in ribosome recycling and translation initiation
分子名称: 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ...
著者Heuer, A, Gerovac, M, Schmidt, C, Trowitzsch, S, Preis, A, Koetter, P, Berninghausen, O, Becker, T, Beckmann, R, Tampe, R.
登録日2016-07-26
公開日2017-04-12
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structure of the 40S-ABCE1 post-splitting complex in ribosome recycling and translation initiation.
Nat. Struct. Mol. Biol., 24, 2017
1V6L
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BU of 1v6l by Molmil
Peanut lectin-lactose complex in the presence of 9mer peptide (PVIWSSATG)
分子名称: CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ...
著者Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M.
登録日2003-12-01
公開日2004-02-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure.
Acta Crystallogr.,Sect.D, 60, 2004
2WOJ
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BU of 2woj by Molmil
ADP-AlF4 complex of S. cerevisiae GET3
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATPASE GET3, MAGNESIUM ION, ...
著者Mateja, A, Szlachcic, A, Downing, M.E, Dobosz, M, Mariappan, M, Hegde, R.S, Keenan, R.J.
登録日2009-07-26
公開日2009-08-11
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.994 Å)
主引用文献The Structural Basis of Tail-Anchored Membrane Protein Recognition by Get3.
Nature, 461, 2009
5LB4
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BU of 5lb4 by Molmil
Apo-structure of humanised RadA-mutant humRadA14
分子名称: DNA repair and recombination protein RadA
著者Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2016-06-15
公開日2016-10-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
4M51
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BU of 4m51 by Molmil
Crystal structure of amidohydrolase nis_0429 (ser145ala mutant) from nitratiruptor sp. sb155-2
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Amidohydrolase family protein, BENZOIC ACID, ...
著者Patskovsky, Y, Toro, R, Gobble, A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI)
登録日2013-08-07
公開日2013-09-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.08 Å)
主引用文献Deamination of 6-aminodeoxyfutalosine in menaquinone biosynthesis by distantly related enzymes.
Biochemistry, 52, 2013
2XFO
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BU of 2xfo by Molmil
tranylcypromine-inhibited human monoamine oxidase B Ile199Ala mutant in complex with 2-(2-benzofuranyl)-2-imidazoline
分子名称: 2-(2-BENZOFURANYL)-2-IMIDAZOLINE, 3-PHENYLPROPANAL, Amine oxidase [flavin-containing] B, ...
著者Bonivento, D, Milczek, E.M, McDonald, G.R, Binda, C, Holt, A, Edmondson, D.E, Mattevi, A.
登録日2010-05-26
公開日2010-10-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Potentiation of ligand binding through cooperative effects in monoamine oxidase B.
J. Biol. Chem., 285, 2010
5LBI
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BU of 5lbi by Molmil
Apo-structure of humanised RadA-mutant humRadA3
分子名称: CALCIUM ION, DNA repair and recombination protein RadA
著者Marsh, M, Fischer, G, Moschetti, T, Sharpe, T, Scott, D, Morgan, M, Ng, H, Skidmore, J, Venkitaraman, A, Abell, C, Blundell, T.L, Hyvonen, M.
登録日2016-06-16
公開日2016-10-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献Engineering Archeal Surrogate Systems for the Development of Protein-Protein Interaction Inhibitors against Human RAD51.
J.Mol.Biol., 428, 2016
2PZN
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BU of 2pzn by Molmil
The crystallographic structure of Aldose Reductase IDD393 complex confirms Leu300 as a specificity determinant
分子名称: (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Ruiz, F, Hazemann, I, Darmanin, C, Mitschler, A, Van Zandt, M, Joachimiak, A, El-Kabbani, O, Podjarny, A.
登録日2007-05-18
公開日2008-05-27
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献The Crystallographic Structure of Alr2-Idd393 Complex Confirms Leu300 as a Specificity Determinant
To be Published
5LPD
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BU of 5lpd by Molmil
Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(2-(aminomethyl)-5-chlorobenzyl) pyrrolidine-2-carboxamide
分子名称: (2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{R})-2-azanyl-3-cyclohexyl-propanoyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Sandner, A, Heine, A, Klebe, G.
登録日2016-08-12
公開日2017-07-26
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
J.Med.Chem., 62, 2019

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