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5M73
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Structure of the human SRP S domain with SRP72 RNA-binding domain
分子名称: GLYCEROL, Human gene for small cytoplasmic 7SL RNA (7L30.1), MAGNESIUM ION, ...
著者Becker, M.M.M, Wild, K, Sinning, I.
登録日2016-10-26
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Structures of human SRP72 complexes provide insights into SRP RNA remodeling and ribosome interaction.
Nucleic Acids Res., 45, 2017
6SMY
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BU of 6smy by Molmil
Crystal structure of SLA Reductase YihU from E. Coli with NADH and product DHPS
分子名称: (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid, 3-sulfolactaldehyde reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Sharma, M, Davies, G.J.
登録日2019-08-23
公開日2020-08-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Dynamic Structural Changes Accompany the Production of Dihydroxypropanesulfonate by Sulfolactaldehyde Reductase
Acs Catalysis, 2020
5M7Y
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Crystal structure of GH125 1,6-alpha-mannosidase mutant from Clostridium perfringens in complex with 1,6-alpha-mannotriose
分子名称: 1,6-alpha-mannosidase, MAGNESIUM ION, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose
著者Males, A, Alonso-Gil, S, Fernandes, P, Williams, S.J, Rovira, C, Davies, G.J.
登録日2016-10-28
公開日2016-11-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Computational Design of Experiment Unveils the Conformational Reaction Coordinate of GH125 alpha-Mannosidases.
J. Am. Chem. Soc., 139, 2017
5MGG
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BU of 5mgg by Molmil
Crystal Structure of BAZ2B bromodomain in complex with 4-chloropyridine derivative 3
分子名称: 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2B
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
6SJT
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BU of 6sjt by Molmil
Crystal structure of the Legionella pneumophila type II secretion system substrate NttC
分子名称: NttC
著者Portlock, T.J, Rehman, S, Garnett, J.A.
登録日2019-08-13
公開日2020-05-20
最終更新日2020-07-22
実験手法X-RAY DIFFRACTION (3.103 Å)
主引用文献Structure, Dynamics and Cellular Insight Into Novel Substrates of theLegionella pneumophilaType II Secretion System.
Front Mol Biosci, 7, 2020
5MGJ
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Crystal Structure of BAZ2A bromodomain in complex with 1-methylpyridine derivative 1
分子名称: Bromodomain adjacent to zinc finger domain protein 2A, ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
5MGL
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BU of 5mgl by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 4-chloropyridine derivative 3
分子名称: 4-chloranyl-~{N}-methyl-pyridine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A
著者Lolli, G, Spiliotopoulos, D, Caflisch, A.
登録日2016-11-21
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.651 Å)
主引用文献Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
7AUD
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BU of 7aud by Molmil
Structure of an engineered helicase domain construct for human Bloom syndrome protein (BLM)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Bloom syndrome protein,Bloom syndrome protein, DNA (5'-D(*GP*TP*AP*CP*CP*CP*GP*AP*TP*GP*TP*GP*T)-3'), ...
著者Chen, X, Oliver, A.W.
登録日2020-11-02
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.96 Å)
主引用文献Uncovering an allosteric mode of action for a selective inhibitor of human Bloom syndrome protein.
Elife, 10, 2021
6SPA
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A4V MUTANT OF HUMAN SUPEROXIDE DISMUTASE 1 IN C2 SPACE GROUP
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, SULFATE ION, ...
著者Shahid, M, Chantadul, V, Amporndanai, K, Wright, G, Antonyuk, S, Hasnain, S.
登録日2019-08-31
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy.
Commun Biol, 3, 2020
7AP4
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Thermus thermophilus Aspartyl-tRNA Synthetase in Complex with Compound AspS7HMDDA
分子名称: (3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid, Aspartate--tRNA(Asp) ligase
著者De Graef, S, Pang, L, Strelkov, S.V, Weeks, S.D.
登録日2020-10-15
公開日2020-12-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Synthesis and Biological Evaluation of 1,3-Dideazapurine-Like 7-Amino-5-Hydroxymethyl-Benzimidazole Ribonucleoside Analogues as Aminoacyl-tRNA Synthetase Inhibitors.
Molecules, 25, 2020
7B1A
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BU of 7b1a by Molmil
Myosin-II-AA mutant motor domain
分子名称: 1,2-ETHANEDIOL, ADP METAVANADATE, MAGNESIUM ION, ...
著者Ewert, W, Preller, M.
登録日2020-11-24
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Unraveling a Force-Generating Allosteric Pathway of Actomyosin Communication Associated with ADP and P i Release.
Int J Mol Sci, 22, 2020
6SQ2
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BU of 6sq2 by Molmil
Structure of a phosphomimetic switch 2 variant of Rab8a in complex with the phospho-Rab binding domain of RILPL2
分子名称: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RILP-like protein 2, ...
著者Khan, A.R, Waschbusch, D.
登録日2019-09-03
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.684 Å)
主引用文献Structure of a phosphomimetic switch 2 variant of Rab8a in complex with the phospho-Rab binding domain of RILPL2
To Be Published
7AQ5
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BU of 7aq5 by Molmil
Pseudomonas stutzeri nitrous oxide reductase mutant, H583N
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O.
登録日2020-10-20
公開日2021-01-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase.
J.Am.Chem.Soc., 143, 2021
6SQL
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BU of 6sql by Molmil
Crystal structure of M. tuberculosis InhA in complex with NAD+ and N-(3-(aminomethyl)phenyl)-5-chloro-3-methylbenzo[b]thiophene-2-sulfonamide
分子名称: Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ~{N}-[3-(aminomethyl)phenyl]-5-chloranyl-3-methyl-1-benzothiophene-2-sulfonamide
著者Mendes, V, Sabbah, M, Coyne, A.G, Abell, C, Blundell, T.L.
登録日2019-09-04
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Fragment-Based Design ofMycobacterium tuberculosisInhA Inhibitors.
J.Med.Chem., 63, 2020
7B33
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BU of 7b33 by Molmil
MST3 in complex with MRIA11
分子名称: 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[4-[6-[bis(fluoranyl)methyl]pyridin-2-yl]-2-chloranyl-phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24
著者Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-11-28
公開日2020-12-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
5MCM
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BU of 5mcm by Molmil
Radiation damage to GH7 Family Cellobiohydrolase from Daphnia pulex: Dose (DWD) 20.6 MGy
分子名称: Cellobiohydrolase CHBI, GLYCEROL, SULFATE ION
著者Bury, C.S, McGeehan, J.E, Ebrahim, A, Garman, E.F.
登録日2016-11-10
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献OH cleavage from tyrosine: debunking a myth.
J Synchrotron Radiat, 24, 2017
6SR9
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BU of 6sr9 by Molmil
Crystal structure of glutathione transferase Omega 2C from Trametes versicolor in complex with oxyresveratrol
分子名称: GLUTATHIONE, Uncharacterized protein, trans-oxyresveratrol
著者Schwartz, M, Favier, F, Didierjean, C.
登録日2019-09-05
公開日2020-09-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.845 Å)
主引用文献Diversity of Omega Glutathione Transferases in mushroom-forming fungi revealed by phylogenetic, transcriptomic, biochemical and structural approaches.
Fungal Genet Biol., 148, 2021
5MEB
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BU of 5meb by Molmil
Crystal structure of yeast Cdt1 C-terminal domain
分子名称: Cell division cycle protein CDT1, SULFATE ION
著者Pye, V.E, Frigola, J, Diffley, J.F.X, Cherepanov, P.
登録日2016-11-14
公開日2017-05-17
最終更新日2017-07-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Cdt1 stabilizes an open MCM ring for helicase loading.
Nat Commun, 8, 2017
5MEH
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BU of 5meh by Molmil
Crystal structure of alpha-1,2-mannosidase from Caulobacter K31 strain in complex with 1-deoxymannojirimycin
分子名称: 1-DEOXYMANNOJIRIMYCIN, ACETATE ION, CALCIUM ION, ...
著者Males, A, Davies, G.J.
登録日2016-11-14
公開日2016-12-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Conformational Behaviour of Azasugars Based on Mannuronic Acid.
Chembiochem, 18, 2017
5MEL
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BU of 5mel by Molmil
Structure of an E333Q variant of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with Glc-alpha-1,3-(3R,4R,5R)-5-(hydroxymethyl)cyclohex-1,2-ene-3,4-diol
分子名称: (1~{R},2~{R},6~{R})-6-(hydroxymethyl)cyclohex-3-ene-1,2-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
著者Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J.
登録日2016-11-15
公開日2017-01-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
7AH2
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BU of 7ah2 by Molmil
Crystal structure of Zebrafish MDM2 RING domain homodimer
分子名称: E3 ubiquitin-protein ligase Mdm2, ZINC ION
著者Magnussen, H.M, Huang, D.T.
登録日2020-09-24
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.872 Å)
主引用文献Identification of a Catalytic Active but Non-Aggregating MDM2 RING Domain Variant.
J.Mol.Biol., 433, 2021
5MER
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BU of 5mer by Molmil
Human Leukocyte Antigen A02 presenting ILAKFLHEL
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-2-microglobulin, ...
著者Rizkallah, P.J, Lloyd, A, Crowther, M, Cole, D.K, Sewell, A.K.
登録日2016-11-16
公開日2016-12-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Structural Mechanism Underpinning Cross-reactivity of a CD8+ T-cell Clone That Recognizes a Peptide Derived from Human Telomerase Reverse Transcriptase.
J. Biol. Chem., 292, 2017
5MJH
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X-ray generated oxyferrous/water mixed complex of DtpA from Streptomyces lividans
分子名称: Dye type peroxidase A, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE
著者Moreno Chicano, T, Chaplin, A.K, Worrall, J.A.R, Strange, R.W, Hough, M.A.
登録日2016-12-01
公開日2017-05-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Photoreduction and validation of haem-ligand intermediate states in protein crystals by in situ single-crystal spectroscopy and diffraction.
IUCrJ, 4, 2017
7APF
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BU of 7apf by Molmil
Crystal structure of JAK3 in complex with FM601 (compound 10a)
分子名称: 1,2-ETHANEDIOL, 1-phenylurea, 3-[3-(propanoylamino)phenyl]-1~{H}-pyrrolo[2,3-b]pyridine-5-carboxamide, ...
著者Chaikuad, A, Forster, M, Gehringer, M, Laufer, S, Knapp, S, Structural Genomics Consortium (SGC)
登録日2020-10-16
公開日2020-12-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of a Novel Class of Covalent Dual Inhibitors Targeting the Protein Kinases BMX and BTK.
Int J Mol Sci, 21, 2020
5MFR
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The crystal structure of E. coli Aminopeptidase N in complex with 7-amino-5,7,8,9-tetrahydrobenzocyclohepten-6-one
分子名称: Aminopeptidase N, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Peng, G, Olieric, V, McEwen, A.G, Schmitt, C, Albrecht, S, Cavarelli, J, Tarnus, C.
登録日2016-11-18
公開日2017-04-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Insight into the remarkable affinity and selectivity of the aminobenzosuberone scaffold for the M1 aminopeptidases family based on structure analysis.
Proteins, 85, 2017

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