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PDB: 89111 件

5LBA
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Crystal structure of human RECQL5 helicase in complex with DSPL fragment(1-cyclohexyl-3-(oxolan-2-ylmethyl)urea, SGC - Diamond XChem I04-1 fragment screening.
分子名称: 1-cyclohexyl-3-[[(2~{R})-oxolan-2-yl]methyl]urea, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase Q5, ...
著者Newman, J.A, Aitkenhead, H, Talon, R, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
登録日2016-06-15
公開日2016-07-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of human RECQL5 helicase in complex with 3D fragment (1-cyclohexyl-3-(oxolan-2-ylmethyl)urea)
To be published
4ZOA
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BU of 4zoa by Molmil
Crystal Structure of beta-glucosidase from Listeria innocua in complex with isofagomine
分子名称: 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, DI(HYDROXYETHYL)ETHER, Lin1840 protein, ...
著者Nakajima, M, Yoshida, R, Miyanaga, A, Abe, K, Takahashi, Y, Sugimoto, N, Toyoizumi, H, Nakai, H, Kitaoka, M, Taguchi, H.
登録日2015-05-06
公開日2016-05-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Functional and Structural Analysis of a beta-Glucosidase Involved in beta-1,2-Glucan Metabolism in Listeria innocua
Plos One, 11, 2016
8B2Y
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BU of 8b2y by Molmil
Structure of the weakly red fluorescent protein csiFP4 from Clytia simplex
分子名称: CHLORIDE ION, CsiFP4 chain A, SULFATE ION
著者Depernet, H, Engilberge, S, Lambert, G, Gotthard, G, Shaner, N, Royant, A.
登録日2022-09-15
公開日2023-09-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Structure of the weakly red fluorescent protein csiFP4 from Clytia simplex
To Be Published
7MFY
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BU of 7mfy by Molmil
The Crystal Structure of Q108K:K40L:T51V:T53S:R58W:Y19W:A33W:L117E Mutant of HCRBPII Bound with LizFluor
分子名称: 4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline, ACETATE ION, GLYCEROL, ...
著者Ghanbarpour, A, Geiger, J.
登録日2021-04-12
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase.
J.Am.Chem.Soc., 143, 2021
8P4I
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BU of 8p4i by Molmil
Cyanide dihydratase from Bacillus pumilus C1
分子名称: Cyanide dihydratase
著者Mulelu, A.E, Reitz, J, van Rooyen, J.M, Scheffer, M, Frangakis, A.S, Dlamini, L.S, Woodward, J.D, Benedik, M.J, Sewell, B.T.
登録日2023-05-22
公開日2023-08-16
実験手法ELECTRON MICROSCOPY (3.83 Å)
主引用文献The Role of Histidine Residues in the Oligomerization of Cyanide Dihydratase from Bacillus pumilus C1
To Be Published
5HV9
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BU of 5hv9 by Molmil
Human LTC4S mutant-S36E
分子名称: GLUTATHIONE, Leukotriene C4 synthase, SULFATE ION
著者Thulasingam, M, Ahmad, H.R.S, Rinaldo-Matthis, A, Haeggstrom, J.Z.
登録日2016-01-28
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Phosphorylation of Leukotriene C4 Synthase at Serine 36 Impairs Catalytic Activity.
J.Biol.Chem., 291, 2016
6ROE
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BU of 6roe by Molmil
Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,6-DIFLUOROBENZENESULFONAMIDE, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-05-12
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (0.939 Å)
主引用文献The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
5T49
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BU of 5t49 by Molmil
Crystal structure of SeMet derivative BhGH81
分子名称: 1,2-ETHANEDIOL, BH0236 protein, PHOSPHATE ION
著者Pluvinage, B, Boraston, A.B.
登録日2016-08-29
公開日2017-06-28
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Analysis of a Family 81 Glycoside Hydrolase Implicates Its Recognition of beta-1,3-Glucan Quaternary Structure.
Structure, 25, 2017
6S6U
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BU of 6s6u by Molmil
Structure of Azospirillum brasilense Glutamate Synthase in a6b4 oligomeric state.
分子名称: FE3-S4 CLUSTER, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Chaves-Sanjuan, A, Bolognesi, M.
登録日2019-07-03
公開日2019-09-11
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM Structures of Azospirillum brasilense Glutamate Synthase in Its Oligomeric Assemblies.
J.Mol.Biol., 431, 2019
6J90
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BU of 6j90 by Molmil
Crystal Structure of GyraseB N-Terminal Domain complex with ATP from Salmonella Typhi at 2.2A Resolution
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Kaur, G, Sachdeva, E, Tiwari, P, Gupta, D, Ethayathulla, A.S, Kaur, P.
登録日2019-01-21
公開日2020-01-22
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of GyraseB N-Terminal Domain complex with ATP from Salmonella Typhi at 2.2A Resolution
To Be Published
6FQ0
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BU of 6fq0 by Molmil
Crystal structure of the CsuC-CsuA/B chaperone-subunit preassembly complex of the archaic chaperone-usher Csu pili of Acinetobacter baumannii
分子名称: CsuA/B,CsuA/B, CsuC
著者Pakharukova, N.A, Tuitilla, M, Paavilainen, S, Zavialov, A.V.
登録日2018-02-12
公開日2018-09-26
最終更新日2018-11-14
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Archaic and alternative chaperones preserve pilin folding energy by providing incomplete structural information.
J. Biol. Chem., 293, 2018
6VYE
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BU of 6vye by Molmil
6-phosphogluconolactonase from Trypanosoma cruzi
分子名称: 6-phosphogluconolactonase, GLYCEROL, PHOSPHATE ION
著者Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
登録日2020-02-26
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献6-phosphogluconolactonase from Trypanosoma cruzi
To be published
6RG5
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BU of 6rg5 by Molmil
Human Carbonic Anhydrase II in complex with 4-(2-hydroxyethyl)benzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-(2-hydroxyethyl)benzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-04-16
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.089 Å)
主引用文献Human Carbonic Anhydrase II in complex with 4-(2-hydroxyethyl)benzenesulfonamide
To Be Published
6G1Y
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BU of 6g1y by Molmil
Crystal structure of the photosensory core module (PCM) of a bathy phytochrome from Agrobacterium fabrum in the Pfr state.
分子名称: 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, Bacteriophytochrome protein
著者Schmidt, A, Qureshi, B.M, Scheerer, P.
登録日2018-03-22
公開日2018-11-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural snapshot of a bacterial phytochrome in its functional intermediate state.
Nat Commun, 9, 2018
8B34
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BU of 8b34 by Molmil
Structure of Human Aldose Reductase Mutant A299G with a Citrate Molecule Bound in the Anion Binding Pocket
分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Hubert, L.-S, Heine, A, Klebe, G.
登録日2022-09-15
公開日2023-09-27
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Structure of Human Aldose Reductase Mutant A299G with a Citrate Molecule Bound in the Anion Binding Pocket
To Be Published
8B3R
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BU of 8b3r by Molmil
Human Aldose Reductase Mutant A299G/L300G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
分子名称: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Hubert, L.-S, Heine, A, Klebe, G.
登録日2022-09-16
公開日2023-09-27
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Human Aldose Reductase Mutant A299G/L300G in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
5FTM
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BU of 5ftm by Molmil
Cryo-EM structure of human p97 bound to ATPgS (Conformation II)
分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Banerjee, S, Bartesaghi, A, Merk, A, Rao, P, Bulfer, S.L, Yan, Y, Green, N, Mroczkowski, B, Neitz, R.J, Wipf, P, Falconieri, V, Deshaies, R.J, Milne, J.L.S, Huryn, D, Arkin, M, Subramaniam, S.
登録日2016-01-14
公開日2016-01-27
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献2.3 A Resolution Cryo-Em Structure of Human P97 and Mechanism of Allosteric Inhibition
Science, 351, 2016
6G5U
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Crystal structure of human carbonic anhydrase isozyme XIII with N-butyl-2,4-dichloro-5-sulfamoyl-benzamide
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Carbonic anhydrase 13, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2018-03-30
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
5DT4
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BU of 5dt4 by Molmil
Aurora A Kinase in Complex with AA35 and ATP in Space Group P6122
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.J, Huggins, D.J, Stockwell, S, Stokes, J.A, Almeida, E.G, Hardwick, B, Narvaez, A.J, Hyvonen, M, Spring, D.R, Venkitaraman, A.R.
登録日2015-09-17
公開日2016-07-20
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.86 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
6G6T
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BU of 6g6t by Molmil
Crystal structure of human carbonic anhydrase isozyme II with N-butyl-2,4-dichloro-5-sulfamoyl-benzamide
分子名称: BICINE, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2018-04-03
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Design of two-tail compounds with rotationally fixed benzenesulfonamide ring as inhibitors of carbonic anhydrases.
Eur J Med Chem, 156, 2018
8OTX
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BU of 8otx by Molmil
Cryo-EM structure of Strongylocentrotus purpuratus sperm-specific Na+/H+ exchanger SLC9C1 in nanodisc
分子名称: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, Sperm-specific sodium proton exchanger
著者Yeo, H, Mehta, V, Gulati, A, Drew, D.
登録日2023-04-21
公開日2023-11-01
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (3.08 Å)
主引用文献Structure and electromechanical coupling of a voltage-gated Na + /H + exchanger.
Nature, 623, 2023
8P66
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Structural basis of aggregate binding/recognition by the AAA+ disaggregase ClpG
分子名称: Clp protease ClpC,Heat shock survival AAA family ATPase ClpK, ZINC ION
著者Simon, B, Hennig, J, Mogk, A.
登録日2023-05-25
公開日2023-11-01
最終更新日2023-11-22
実験手法SOLUTION NMR
主引用文献Structural basis of aggregate binding by the AAA+ disaggregase ClpG.
J.Biol.Chem., 299, 2023
8OTW
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Cryo-EM structure of Strongylocentrotus purpuratus SLC9C1 in presence of cAMP
分子名称: 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Sperm-specific sodium proton exchanger
著者Yeo, H, Mehta, V, Gulati, A, Drew, D.
登録日2023-04-21
公開日2023-11-01
最終更新日2023-11-22
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Structure and electromechanical coupling of a voltage-gated Na + /H + exchanger.
Nature, 623, 2023
8B51
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Usutu virus methyltransferase domain in complex with sinefungin
分子名称: GLYCEROL, GLYCINE, RNA-directed RNA polymerase NS5, ...
著者Ferrero, D.S, Albentosa Gonzalez, L, Mas, A, Verdaguer, N.
登録日2022-09-21
公開日2023-10-04
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structure and function of the NS5 methyltransferase domain from Usutu virus.
Antiviral Res., 208, 2022
5DV7
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BU of 5dv7 by Molmil
Crystal Structure of NF90 tandem dsRBDs with dsRNA
分子名称: Interleukin enhancer-binding factor 3, RNA (5'-R(*CP*CP*AP*GP*CP*AP*UP*UP*AP*UP*GP*AP*AP*AP*GP*UP*GP*A)-3'), RNA (5'-R(*UP*CP*AP*CP*UP*UP*UP*CP*AP*UP*AP*AP*UP*GP*CP*UP*GP*G)-3')
著者Jayachandran, U, Grey, H, Cook, A.G.
登録日2015-09-21
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Nuclear factor 90 uses an ADAR2-like binding mode to recognize specific bases in dsRNA.
Nucleic Acids Res., 44, 2016

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件を2024-09-11に公開中

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