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3DV6
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BU of 3dv6 by Molmil
Crystal structure of SAG506-01, tetragonal, crystal 2
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, Ig-like protein, MAGNESIUM ION, ...
著者Brooks, C.L, Blackler, R.J, Gerstenbruch, S, Kosma, P, Muller-Loennies, S, Brade, H, Evans, S.V.
登録日2008-07-18
公開日2008-12-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Pseudo-symmetry and twinning in crystals of homologous antibody Fv fragments.
Acta Crystallogr.,Sect.D, 64, 2008
6Q11
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BU of 6q11 by Molmil
Crystal structure of MurA from Clostridium difficile, mutation C116S, in the presence of URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID
分子名称: 1,2-ETHANEDIOL, SODIUM ION, UDP-N-acetylglucosamine 1-carboxyvinyltransferase, ...
著者Dopkins, B.J, Call, C.J, Thoden, J.B, Holden, H.M.
登録日2019-08-02
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of MurA from Clostridium difficile, mutation C116S, in the presence of URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID
To Be Published
6UHO
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BU of 6uho by Molmil
Crystal Structure of C148 mGFP-cDNA-2
分子名称: C148 mGFP-cDNA-2, UNKNOWN LIGAND
著者Winegar, P.W, Hayes, O.G, McMillan, J.R, Figg, C.A, Focia, P.J, Mirkin, C.A.
登録日2019-09-27
公開日2020-03-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献DNA-Directed Protein Packing within Single Crystals.
Chem, 6, 2020
6VXU
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BU of 6vxu by Molmil
Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471
分子名称: (7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, (7S)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, GLYCEROL, ...
著者dos Reis, C.V, Dutra, L.A, Gama, F.H, Mascarello, A, Azevedo, H, Guimaraes, C.R, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2020-02-24
公開日2021-03-03
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of Human Vaccinia-related Kinase 1 (VRK1) bound to ACH471
To Be Published
6Q35
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BU of 6q35 by Molmil
Crystal structure of GES-5 beta-lactamase in complex with boronic inhibitor cpd 3
分子名称: 1,2-ETHANEDIOL, Beta-lactamase, DIMETHYL SULFOXIDE, ...
著者Maso, L, Quotadamo, A, Bellio, P, Montanari, M, Venturelli, A, Celenza, G, Costi, M.P, Tondi, D, Cendron, L.
登録日2018-12-03
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献X-ray Crystallography Deciphers the Activity of Broad-Spectrum Boronic Acid beta-Lactamase Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6TR1
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BU of 6tr1 by Molmil
Native cytochrome c6 from Thermosynechococcus elongatus in space group H3
分子名称: Cytochrome c6, HEME C, SODIUM ION
著者Falke, S, Feiler, C.G, Sarrou, I.
登録日2019-12-17
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of native cytochrome c6from Thermosynechococcus elongatus in two different space groups and implications for its oligomerization.
Acta Crystallogr.,Sect.F, 76, 2020
6QG1
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BU of 6qg1 by Molmil
Structure of eIF2B-eIF2 (phosphorylated at Ser51) complex (model 2)
分子名称: Eukaryotic translation initiation factor 2 subunit alpha, Eukaryotic translation initiation factor 2 subunit beta, Eukaryotic translation initiation factor 2 subunit gamma, ...
著者Llacer, J.L, Gordiyenko, Y, Ramakrishnan, V.
登録日2019-01-10
公開日2019-06-26
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural basis for the inhibition of translation through eIF2 alpha phosphorylation.
Nat Commun, 10, 2019
6W6B
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BU of 6w6b by Molmil
The X-ray crystal structure of the C-terminus domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 328-548) protein to 1.40 Angstrom resolution
分子名称: SULFATE ION, SaFakA-Cterminus domain
著者Cuypers, M.G, Subramanian, C, Rock, C.O, White, S.W.
登録日2020-03-16
公開日2021-03-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献The X-ray crystal structure of the C-terminus domain of Staphylococcus aureus Fatty Acid Kinase A (FakA, residues 328-548) protein to 1.40 Angstrom resolution
To Be Published
6W51
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BU of 6w51 by Molmil
Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H
分子名称: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, Immunoglobulin heavy chain H2, ...
著者Wright, K.M, Gabelli, S.B.
登録日2020-03-12
公開日2021-03-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.53 Å)
主引用文献Targeting a neoantigen derived from a common TP53 mutation.
Science, 371, 2021
4AQ9
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BU of 4aq9 by Molmil
Gating movement in acetylcholine receptor analysed by time- resolved electron cryo-microscopy (open class)
分子名称: ACETYLCHOLINE RECEPTOR BETA SUBUNIT, ACETYLCHOLINE RECEPTOR DELTA SUBUNIT, ACETYLCHOLINE RECEPTOR GAMMA SUBUNIT, ...
著者Unwin, N, Fujiyoshi, Y.
登録日2012-04-13
公開日2012-08-01
最終更新日2019-10-23
実験手法ELECTRON MICROSCOPY (6.2 Å)
主引用文献Gating Movement of Acetylcholine Receptor Caught by Plunge-Freezing.
J.Mol.Biol., 422, 2012
6QAF
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BU of 6qaf by Molmil
Crystal structure of human Arginase-1 at pH 9.0 in complex with CB-1158/INCB001158
分子名称: Arginase-1, MANGANESE (II) ION, SODIUM ION, ...
著者Grobben, Y, Uitdehaag, J.C.M, Tabak, W.W.A, Zaman, G.J.R.
登録日2018-12-19
公開日2019-12-11
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structural insights into human Arginase-1 pH dependence and its inhibition by the small molecule inhibitor CB-1158.
J Struct Biol X, 4, 2020
6W45
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BU of 6w45 by Molmil
Crystal structure of HAO1 in complex with biaryl acid inhibitor - compound 3
分子名称: 2-chloranyl-4-[2-[[(6-chloranyl-1~{H}-indol-2-yl)carbonyl-methyl-amino]methyl]-5-fluoranyl-phenyl]benzoic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
著者Ferguson, A.D.
登録日2020-03-10
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021
6W4C
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BU of 6w4c by Molmil
Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 5
分子名称: 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
著者Ferguson, A.D.
登録日2020-03-10
公開日2021-05-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021
3HY8
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BU of 3hy8 by Molmil
Crystal Structure of Human Pyridoxine 5'-Phosphate Oxidase R229W Mutant
分子名称: FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE, ...
著者Safo, M.K, Musayev, F.N, Di Salvo, M.L, Saavedra, M.K, Schirch, V.
登録日2009-06-22
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular basis of reduced pyridoxine 5'-phosphate oxidase catalytic activity in neonatal epileptic encephalopathy disorder
J.Biol.Chem., 284, 2009
4GWO
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BU of 4gwo by Molmil
Crystal structure of ligand binding domain of LysR family member,CysB in complex with sulfate from Salmonella typhimurium LT2
分子名称: GLYCEROL, HTH-type transcriptional regulator CysB, SULFATE ION
著者Mittal, M, Singh, A.K, Kumaran, S.
登録日2012-09-03
公開日2013-09-04
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.394 Å)
主引用文献Crystal structure of ligand binding domain of LysR family member,CysB in complex with sulfate from Salmonella typhimurium LT2
To be Published
6RWI
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BU of 6rwi by Molmil
Fragment AZ-002 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-phenylthiophene-2-carboximidamide, CALCIUM ION, ...
著者Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-06-05
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
3HZK
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BU of 3hzk by Molmil
Crystal structure of S73-2 antibody in complex with antigen Kdo(2.4)Kdo
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, MAGNESIUM ION, S73-2 Fab (IgG1k) heavy chain, ...
著者Brooks, C.L, Muller-Loennies, S, Borisova, S.N, Brade, L, Kosma, P, Hirama, T, MacKenzie, C.R, Brade, H, Evans, S.V.
登録日2009-06-23
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Antibodies raised against chlamydial lipopolysaccharide antigens reveal convergence in germline gene usage and differential epitope recognition
Biochemistry, 49, 2010
6W9E
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BU of 6w9e by Molmil
Crystal Structure of Human CDK9/cyclinT1 in complex with MC180295
分子名称: (4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone, (4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone, Cyclin-T1, ...
著者Zhang, P, Wu, J.
登録日2020-03-22
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Comparative Modeling of CDK9 Inhibitors to Explore Selectivity and Structure-Activity Relationships
To Be Published
6S0D
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BU of 6s0d by Molmil
H30 MnSOD-3 Mutant II
分子名称: MANGANESE (II) ION, SULFATE ION, Superoxide dismutase [Mn] 2, ...
著者Bonetta, R, Trinh, C.H, Hunter, G.J, Hunter, T.
登録日2019-06-14
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献H30 MnSOD-3 Mutant II
To Be Published
6QKU
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BU of 6qku by Molmil
Crystal Structure of the Fluoroacetate Dehalogenase RPA1163 - Tyr219Phe - Chloroacetate soaked 2hr
分子名称: CHLORIDE ION, Fluoroacetate dehalogenase, GLYCOLIC ACID, ...
著者Mehrabi, P, Kim, T.H, Prosser, R.S, Pai, E.F.
登録日2019-01-30
公開日2019-06-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.511 Å)
主引用文献Substrate-Based Allosteric Regulation of a Homodimeric Enzyme.
J.Am.Chem.Soc., 141, 2019
3HZY
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BU of 3hzy by Molmil
Crystal structure of S73-2 antibody in complex with antigen Kdo(2.4)Kdo(2.4)Kdo
分子名称: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-prop-2-en-1-yl 3-deoxy-alpha-D-manno-oct-2-ulopyranosidonic acid, MAGNESIUM ION, S73-2 Fab (IgG1k) heavy chain, ...
著者Brooks, C.L, Muller-Loennies, S, Borisova, S.N, Brade, L, Kosma, P, Hirama, T, MacKenzie, C.R, Brade, H, Evans, S.V.
登録日2009-06-24
公開日2010-01-12
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Antibodies raised against chlamydial lipopolysaccharide antigens reveal convergence in germline gene usage and differential epitope recognition
Biochemistry, 49, 2010
6PU0
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BU of 6pu0 by Molmil
Pigeon Cryptochrome4 bound to flavin adenine dinucleotide
分子名称: 1,2-ETHANEDIOL, Cryptochrome-1, DI(HYDROXYETHYL)ETHER, ...
著者Zoltowski, B.D, Chelliah, Y, Wickramaratne, A.C, Jarocha, L, Karki, N, Mouritsen, H, Hore, P.J, Hibbs, R.E, Green, C.B, Takahashi, J.S.
登録日2019-07-16
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.8979 Å)
主引用文献Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon.
Proc.Natl.Acad.Sci.USA, 116, 2019
6PTZ
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BU of 6ptz by Molmil
Crystal structure of pigeon Cryptochrome 4 mutant Y319D in complex with flavin adenine dinucleotide
分子名称: Cryptochrome-1, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Zoltowski, B.D, Chelliah, Y, Wickramaratne, A.C, Jarocha, L, Karki, N, Mouritsen, H, Hore, P.J, Hibbs, R.E, Green, C.B, Takahashi, J.S.
登録日2019-07-16
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.793 Å)
主引用文献Chemical and structural analysis of a photoactive vertebrate cryptochrome from pigeon.
Proc.Natl.Acad.Sci.USA, 116, 2019
3CRU
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BU of 3cru by Molmil
Structural characterization of an engineered allosteric protein
分子名称: GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme
著者Sagermann, M, Chapleau, R, DeLorimier, E, Lei, M.
登録日2008-04-07
公開日2009-02-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Using affinity chromatography to engineer and characterize pH-dependent protein switches.
Protein Sci., 18, 2009
4MOT
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BU of 4mot by Molmil
Structure of Streptococcus pneumonia pare in complex with AZ13072886
分子名称: 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B
著者Ogg, D, Boriack-Sjodin, P.A.
登録日2013-09-12
公開日2013-11-20
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy.
Bioorg.Med.Chem.Lett., 24, 2014

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