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6RH8
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Revisiting pH-gated conformational switch. Complex HK853 mutant H260A -RR468 mutant D53A pH 5.3
分子名称: ADENOSINE-5'-DIPHOSPHATE, Response regulator, SULFATE ION, ...
著者Mideros-Mora, C, Casino, P, Marina, A.
登録日2019-04-19
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases.
Nat Commun, 11, 2020
6RF5
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Crystal structure of the light-driven sodium pump KR2 in the monomeric form, pH 6.0
分子名称: EICOSANE, GLYCEROL, RETINAL, ...
著者Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V.
登録日2019-04-12
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
6RF6
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Crystal structure of the light-driven sodium pump KR2 in the monomeric form, pH 8.0
分子名称: EICOSANE, RETINAL, SODIUM ION, ...
著者Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V.
登録日2019-04-12
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
6RFA
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Crystal structure of the H30K mutant of the light-driven sodium pump KR2 in the monomeric form, pH 8.0
分子名称: EICOSANE, GLYCEROL, RETINAL, ...
著者Kovalev, K, Polovinkin, V, Gushchin, I, Borshchevskiy, V, Gordeliy, V.
登録日2019-04-12
公開日2019-04-24
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure and mechanisms of sodium-pumping KR2 rhodopsin.
Sci Adv, 5, 2019
6RJ3
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BU of 6rj3 by Molmil
Crystal structure of PHGDH in complex with compound 15
分子名称: 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid, D-3-phosphoglycerate dehydrogenase, SULFATE ION
著者Bader, G, Wolkerstorfer, B, Zoephel, A.
登録日2019-04-26
公開日2019-08-07
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) InhibitorBI-4924Disrupts Serine Biosynthesis.
J.Med.Chem., 62, 2019
6RK8
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BU of 6rk8 by Molmil
Fragment AZ-014 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-04-30
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RL3
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BU of 6rl3 by Molmil
Fragment AZ-003 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-azanyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-01
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RL6
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BU of 6rl6 by Molmil
Fragment AZ-024 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Cellular tumor antigen p53, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-01
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RLV
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Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine
分子名称: 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, GLYCEROL, MALONATE ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2019-05-02
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
6RML
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BU of 6rml by Molmil
Crystal structure of TOPBP1 BRCT0,1,2 in complex with a 53BP1 phosphopeptide
分子名称: 53BP1, DNA topoisomerase 2-binding protein 1
著者Day, M, Oliver, A.W, Pearl, L.H.
登録日2019-05-07
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Phosphorylation-mediated interactions with TOPBP1 couple 53BP1 and 9-1-1 to control the G1 DNA damage checkpoint.
Elife, 8, 2019
6RMS
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BU of 6rms by Molmil
The Structure of variant D274E of the Mo-insertase domain Cnx1E from Arabidopsis thaliana in complex with AMP
分子名称: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, IMIDAZOLE, ...
著者Krausze, J.
登録日2019-05-07
公開日2020-02-19
最終更新日2024-01-24
実験手法SOLUTION SCATTERING (1.74 Å), X-RAY DIFFRACTION
主引用文献Insights into the Cnx1E catalyzed MPT-AMP hydrolysis.
Biosci.Rep., 40, 2020
6ROG
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BU of 6rog by Molmil
Crystal Structure of the KELCH domain of human KEAP1
分子名称: FORMIC ACID, Kelch-like ECH-associated protein 1, SODIUM ION
著者Sethi, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bullock, A.N, von Delft, F, Structural Genomics Consortium (SGC)
登録日2019-05-13
公開日2019-06-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal Structure of the KELCH domain of human KEAP1
To Be Published
6ROS
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BU of 6ros by Molmil
REP related 18-mer DNA
分子名称: REP related 18-mer DNA from C. hominis, STRONTIUM ION
著者Kolenko, P, Svoboda, J, Schneider, B.
登録日2019-05-13
公開日2020-07-08
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020
6ROR
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BU of 6ror by Molmil
REP related 18-mer DNA
分子名称: REP related 18-mer DNA from C. hominis, STRONTIUM ION
著者Kolenko, P, Svoboda, J, Schneider, B.
登録日2019-05-13
公開日2020-07-08
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.601 Å)
主引用文献Structural variability of CG-rich DNA 18-mers accommodating double T-T mismatches.
Acta Crystallogr D Struct Biol, 76, 2020
6RRH
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BU of 6rrh by Molmil
GOLGI ALPHA-MANNOSIDASE II
分子名称: 1,2-ETHANEDIOL, Alpha-mannosidase 2, ZINC ION
著者Armstrong, Z, Lahav, D, Johnson, R, Kuo, C.L, Beenakker, T.J.M, de Boer, C, Wong, C.S, van Rijssel, E.R, Debets, M, Geurink, P.P, Ovaa, H, van der Stelt, M, Codee, J.D.C, Aerts, J.M.F.G, Wu, L, Overkleeft, H.S, Davies, G.J.
登録日2019-05-18
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Manno- epi -cyclophellitols Enable Activity-Based Protein Profiling of Human alpha-Mannosidases and Discovery of New Golgi Mannosidase II Inhibitors.
J.Am.Chem.Soc., 142, 2020
6RSE
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Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
分子名称: Tyrosine-protein kinase JAK1, methyl ~{N}-[4-aminocarbonyl-1-[(3~{R},4~{R})-4-(cyanomethyl)-1-[(4-ethenyl-2-fluoranyl-5-oxidanyl-phenyl)methyl]-3-fluoranyl-piperidin-4-yl]pyrazol-3-yl]carbamate
著者Brown, D.G, Lupardus, P.J.
登録日2019-05-21
公開日2020-07-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure based optimization of JAK1-ATP binding pocket Inhibitors in the aminopyrazole class
To Be Published
6RRR
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BU of 6rrr by Molmil
Crystal structure of the tyrosinase PvdP from Pseudomonas aeruginosa
分子名称: GLYCEROL, PvdP
著者Wibowo, J.P, Batista, F.A, van Oosterwijk, N, Groves, M.R, Dekker, F.J, Quax, W.J.
登録日2019-05-20
公開日2020-04-15
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献A novel mechanism of inhibition by phenylthiourea on PvdP, a tyrosinase synthesizing pyoverdine of Pseudomonas aeruginosa.
Int.J.Biol.Macromol., 146, 2020
6RTD
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BU of 6rtd by Molmil
Dihydro-heme d1 dehydrogenase NirN in complex with DHE
分子名称: (R,R)-2,3-BUTANEDIOL, Cytochrome c, HEME C, ...
著者Kluenemann, T, Preuss, A, Layer, G, Blankenfeldt, W.
登録日2019-05-23
公開日2019-06-19
最終更新日2019-08-28
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Crystal Structure of Dihydro-Heme d1Dehydrogenase NirN from Pseudomonas aeruginosa Reveals Amino Acid Residues Essential for Catalysis.
J.Mol.Biol., 431, 2019
6RTI
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BU of 6rti by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with aptamer A9g
分子名称: (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Motlova, L, Kolenko, P, Barinka, C.
登録日2019-05-24
公開日2020-06-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural basis of prostate-specific membrane antigen recognition by the A9g RNA aptamer.
Nucleic Acids Res., 48, 2020
6RTW
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Crystal structure of the Patched-1 (PTCH1) ectodomain in complex with nanobody NB64 and cholesterol-hemisuccinate
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Llama-derived nanobody NB64, ...
著者Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
登録日2019-05-27
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
6RVC
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Crystal structure of Patched-1 ectodomain 2 (PTCH1-ECD2) in complex with nanobody 75
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody NB75, Protein patched homolog 1, ...
著者Rudolf, A.F, Kowatsch, C, El Omari, K, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C.
登録日2019-05-31
公開日2019-10-02
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
6RY6
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Crystal structure of Dfg5 from Chaetomium thermophilum in complex with glucosamine
分子名称: 2-amino-2-deoxy-alpha-D-glucopyranose, CALCIUM ION, Mannan endo-1,6-alpha-mannosidase, ...
著者Essen, L.-O, Vogt, M.S.
登録日2019-06-10
公開日2020-08-12
最終更新日2020-09-16
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural base for the transfer of GPI-anchored glycoproteins into fungal cell walls.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RYI
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WUS-HD bound to G-Box DNA
分子名称: DNA (5'-D(P*CP*CP*CP*AP*TP*CP*AP*CP*GP*TP*GP*AP*CP*GP*AP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*TP*CP*AP*CP*GP*TP*GP*AP*TP*GP*GP*G)-3'), Protein WUSCHEL
著者Sloan, J.J, Wild, K, Sinning, I.
登録日2019-06-10
公開日2020-04-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.691 Å)
主引用文献Structural basis for the complex DNA binding behavior of the plant stem cell regulator WUSCHEL.
Nat Commun, 11, 2020
6RY5
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Crystal structure of Dfg5 from Chaetomium thermophilum in complex with alpha-1,6-mannobiose
分子名称: CALCIUM ION, Mannan endo-1,6-alpha-mannosidase, TRIETHYLENE GLYCOL, ...
著者Essen, L.-O, Vogt, M.S.
登録日2019-06-10
公開日2020-08-12
最終更新日2020-09-16
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural base for the transfer of GPI-anchored glycoproteins into fungal cell walls.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RYT
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BU of 6ryt by Molmil
Engineered beta-lactoglobulin: variant M107L
分子名称: Beta-lactoglobulin, GLYCEROL, PHOSPHATE ION
著者Loch, J.I, Kurpiewska, K, Lewinski, K.
登録日2019-06-11
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-based design approach to rational site-directed mutagenesis of beta-lactoglobulin.
J.Struct.Biol., 210, 2020

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