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4R8N
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BU of 4r8n by Molmil
Crystal structure of Staphylococcal nuclease variant V23I/V66I/I72V/I92V at cryogenic temperature
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, CALCIUM ION, PHOSPHATE ION, ...
著者Caro, J.A, Flores, E, Schlessman, J.L, Heroux, A, Garcia-Moreno, E.B.
登録日2014-09-02
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Cavities in proteins
To be Published
4QR4
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BU of 4qr4 by Molmil
Brd4 Bromodomain 1 complex with its novel inhibitors
分子名称: 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide, Bromodomain-containing protein 4
著者Xiong, B, Cao, D.Y, Chen, T.T, Xu, Y.C.
登録日2014-06-30
公開日2015-07-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization
J.Med.Chem., 58, 2015
3WGZ
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BU of 3wgz by Molmil
Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with D-leucine of from Clostridium tetani E88
分子名称: D-LEUCINE, Meso-diaminopimelate dehydrogenase
著者Liu, W.D, Li, Z, Huang, C.H, Guo, R.T, Wu, Q.Q, Zhu, D.M.
登録日2013-08-20
公開日2014-08-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal structure of meso-dapdh Q154L/T173I/R199M/P248S/H249N/N276S mutant with D-leucine of from Clostridium tetani E88
to be published
4QRD
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BU of 4qrd by Molmil
Structure of Methionyl-tRNA Synthetase in complex with N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
分子名称: MAGNESIUM ION, Methionyl-tRNA synthetase, N-(1H-benzimidazol-2-ylmethyl)-N'-(2,4-dichlorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
著者Li, X, Hilgers, M.T, Stidham, M, Brown-Driver, V, Shaw, K.J, Finn, J.
登録日2014-06-30
公開日2015-07-29
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery and SAR of a Novel Series of Pyrimidine Antibacterials Targeting Methionyl-tRNA Synthetase
to be published
4QRQ
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BU of 4qrq by Molmil
Crystal Structure of HLA B*0801 in complex with HSKKKCDEL
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-8 alpha chain, ...
著者Gras, S, Berry, R, Lucet, I.S, Rossjohn, J.
登録日2014-07-02
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献An Extensive Antigenic Footprint Underpins Immunodominant TCR Adaptability against a Hypervariable Viral Determinant.
J.Immunol., 193, 2014
3WID
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BU of 3wid by Molmil
Structure of a glucose dehydrogenase T277F mutant in complex with NADP
分子名称: Glucose 1-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PENTAETHYLENE GLYCOL, ...
著者Sakuraba, H, Kanoh, Y, Yoneda, K, Ohshima, T.
登録日2013-09-10
公開日2014-05-14
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural insight into glucose dehydrogenase from the thermoacidophilic archaeon Thermoplasma volcanium.
Acta Crystallogr.,Sect.D, 70, 2014
4RBU
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BU of 4rbu by Molmil
PduA K26A S40Q mutant, from Salmonella enterica serovar Typhimurium LT2
分子名称: Propanediol utilization protein PduA, SULFATE ION
著者Chun, S, Sawaya, M.R, Yeates, T.O.
登録日2014-09-13
公開日2015-02-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Selective molecular transport through the protein shell of a bacterial microcompartment organelle.
Proc.Natl.Acad.Sci.USA, 112, 2015
3W6Y
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BU of 3w6y by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-2-199
分子名称: 5-[2-(5-carboxynaphthalen-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
著者Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
登録日2013-02-27
公開日2014-03-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with TT2-2-199
To be Published
4RDU
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BU of 4rdu by Molmil
Crystal structure of a distal-less homeobox protein 5 (Dlx5) from Homo sapiens at 1.85 A resolution
分子名称: (DC)(DG)(DA)(DC)(DT)(DA)(DA)(DT)(DT)(DA)(DG)(DT)(DC)(DG), Homeobox protein DLX-5
著者Joint Center for Structural Genomics (JCSG), Partnership for Stem Cell Biology (STEMCELL)
登録日2014-09-19
公開日2014-11-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal structure of a distal-less homeobox protein 5 (Dlx5) from Homo sapiens at 1.85 A resolution
To be published
4QPO
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BU of 4qpo by Molmil
Mechanistic basis of plasmid-specific DNA binding of the F plasmid regulatory protein, TraM
分子名称: PHOSPHATE ION, Relaxosome protein TraM
著者Peng, Y, Lu, J, Wong, J, Edwards, R.A, Frost, L.S, Glover, J.N.M.
登録日2014-06-24
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Mechanistic Basis of Plasmid-Specific DNA Binding of the F Plasmid Regulatory Protein, TraM.
J.Mol.Biol., 426, 2014
3WSD
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BU of 3wsd by Molmil
Oxidized HcgD from Methanocaldococcus jannaschii
分子名称: CHLORIDE ION, FE (III) ION, Putative GTP cyclohydrolase 1 type 2
著者Fujishiro, T, Ermler, U, Shima, S.
登録日2014-03-13
公開日2014-08-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A possible iron delivery function of the dinuclear iron center of HcgD in [Fe]-hydrogenase cofactor biosynthesis
Febs Lett., 588, 2014
3SON
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BU of 3son by Molmil
Crystal structure of a putativel NUDIX hydrolase (LMOf2365_2679) from Listeria monocytogenes str. 4b F2365 at 1.70 A resolution
分子名称: CALCIUM ION, Hypothetical NUDIX hydrolase
著者Joint Center for Structural Genomics (JCSG)
登録日2011-06-30
公開日2011-08-17
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Crystal structure of a Hypothetical NUDIX hydrolase (LMOf2365_2679) from LISTERIA MONOCYTOGENES (ATCC 19115) at 1.70 A resolution
To be published
4QVJ
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BU of 4qvj by Molmil
Unliganded crystal structure of Feline Norovirus P Domain co-crystallized with N-acetylneuraminic acid
分子名称: VP1
著者Singh, B.K, Hansman, G.S.
登録日2014-07-15
公開日2014-11-19
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural analysis of a feline norovirus protruding domain.
Virology, 474, 2015
4MH5
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BU of 4mh5 by Molmil
Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-glutamate
分子名称: CHLORIDE ION, GLUTAMIC ACID, GLYCEROL, ...
著者Venskutonyte, R, Frydenvang, K, Gajhede, M, Kastrup, J.S.
登録日2013-08-29
公開日2013-10-16
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Binding site and interlobe interactions of the ionotropic glutamate receptor GluK3 ligand binding domain revealed by high resolution crystal structure in complex with (S)-glutamate.
J.Struct.Biol., 176, 2011
4R06
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BU of 4r06 by Molmil
Crystal Structure of SR2067 bound to PPARgamma
分子名称: 1-(naphthalen-1-ylsulfonyl)-N-[(1S)-1-phenylpropyl]-1H-indole-5-carboxamide, Peroxisome proliferator-activated receptor gamma, SULFATE ION
著者Marrewijk, L, Kamenecka, T, Griffin, P.R, Bruning, J.B.
登録日2014-07-30
公開日2016-01-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献SR2067 Reveals a Unique Kinetic and Structural Signature for PPAR gamma Partial Agonism.
Acs Chem.Biol., 11, 2016
4R0K
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BU of 4r0k by Molmil
Crystal structure of a putative dipeptidyl-peptidase VI (BT_1314) from Bacteroides thetaiotaomicron VPI-5482 at 1.75 A resolution
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Dipeptidyl-peptidase VI, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2014-07-31
公開日2014-08-20
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a putative dipeptidyl-peptidase VI (BT_1314) from Bacteroides thetaiotaomicron VPI-5482 at 1.75 A resolution
To be published
4R0Z
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BU of 4r0z by Molmil
A conserved phosphorylation switch controls the interaction between cadherin and beta-catenin in vitro and in vivo
分子名称: FORMIC ACID, Protein humpback-2
著者Choi, H.-J, Loveless, T, Lynch, A, Bang, I, Hardin, J, Weis, W.I.
登録日2014-08-03
公開日2015-04-29
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献A Conserved Phosphorylation Switch Controls the Interaction between Cadherin and beta-Catenin In Vitro and In Vivo
Dev.Cell, 33, 2015
3W3J
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BU of 3w3j by Molmil
Crystal structure of human TLR8 in complex with CL097
分子名称: 2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-4-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Tanji, H, Ohto, U, Shimizu, T.
登録日2012-12-22
公開日2013-04-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural reorganization of the Toll-like receptor 8 dimer induced by agonistic ligands
Science, 339, 2013
3W7L
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BU of 3w7l by Molmil
Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-075
分子名称: 5-[2-(6-methoxynaphthalen-1-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ...
著者Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Hashimoto, S, Matsuoka, S, Kuranaga, T, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K.
登録日2013-03-02
公開日2014-03-05
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-5-075
To be Published
4R61
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BU of 4r61 by Molmil
Crystal structure of a rationally designed single-chain protein mimicking a trimeric gp41 N-terminal heptad-repeat region
分子名称: gp41-based construct covNHR3-ABC
著者Camara-Artigas, A, Conejero-Lara, F, Crespillo, S, Casares, S.
登録日2014-08-22
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Single-chain protein mimetics of the N-terminal heptad-repeat region of gp41 with potential as anti-HIV-1 drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
4MIV
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BU of 4miv by Molmil
Crystal Structure of Sulfamidase, Crystal Form L
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, CALCIUM ION, ...
著者Sidhu, N.S, Uson, I, Schreiber, K, Proepper, K, Becker, S, Sheldrick, G.M, Gaertner, J, Kraetzner, R, Steinfeld, R.
登録日2013-09-02
公開日2014-05-14
最終更新日2021-06-02
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of sulfamidase provides insight into the molecular pathology of mucopolysaccharidosis IIIA.
Acta Crystallogr.,Sect.D, 70, 2014
3WW6
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BU of 3ww6 by Molmil
Crystal Structure of hen egg white lysozyme mutant N46D/D52S
分子名称: CHLORIDE ION, Lysozyme C
著者Abe, Y, Kubota, M, Ito, Y, Imoto, T, Ueda, T.
登録日2014-06-17
公開日2015-06-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Effect on catalysis by replacement of catalytic residue from hen egg white lysozyme to Venerupis philippinarum lysozyme.
Protein Sci., 25, 2016
3WX7
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BU of 3wx7 by Molmil
Crystal structure of COD
分子名称: ACETATE ION, CALCIUM ION, Chitin oligosaccharide deacetylase, ...
著者Park, S.-Y, Sugiyama, K, Hirano, T, Nishio, T.
登録日2014-07-18
公開日2014-12-03
最終更新日2019-04-03
実験手法X-RAY DIFFRACTION (1.349 Å)
主引用文献Structure-based analysis of domain function of chitin oligosaccharide deacetylase from Vibrio parahaemolyticus.
FEBS Lett., 589, 2015
4DPI
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BU of 4dpi by Molmil
BACE-1 in complex with HEA-macrocyclic inhibitor, MV078512
分子名称: (4S,8E,11R)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-16-methyl-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraene-2,13-dione, Beta-secretase 1
著者Lindberg, J, Borkakoti, N, Derbyshire, D.
登録日2012-02-13
公開日2012-07-11
最終更新日2013-01-02
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012
4R1L
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BU of 4r1l by Molmil
Crystal structure of a Putative Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.42 A resolution
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2014-08-06
公開日2014-08-27
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Crystal structure of a Hypothetical Acyl-CoA ligase (BT_0428) from Bacteroides thetaiotaomicron VPI-5482 at 2.42 A resolution
To be published

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