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7AKS
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BU of 7aks by Molmil
Human ADP-ribosylserine hydrolase ARH3 mutant E41A in complex with H2B-S7-mar peptide
分子名称: 1,2-ETHANEDIOL, ACETATE ION, ADP-ribose glycohydrolase ARH3, ...
著者Ariza, A.
登録日2020-10-02
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mechanistic insights into the three steps of poly(ADP-ribosylation) reversal.
Nat Commun, 12, 2021
7AOG
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BU of 7aog by Molmil
14-3-3 sigma in complex with Pin1 binding site pS72
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C.
登録日2020-10-14
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
6U6L
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BU of 6u6l by Molmil
BRD4-BD2 in complex with the cyclic peptide 3.1_2
分子名称: AMINO GROUP, Bromodomain-containing protein 4, Cyclic peptide 3.1_2, ...
著者Patel, K, Walshe, J.L, Walport, L.J, Mackay, J.P.
登録日2019-08-30
公開日2020-08-19
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Cyclic peptides can engage a single binding pocket through highly divergent modes.
Proc.Natl.Acad.Sci.USA, 117, 2020
5OHG
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BU of 5ohg by Molmil
enolase in complex with RNase E
分子名称: Enolase, MAGNESIUM ION, PHOSPHATE ION, ...
著者Du, D, Luisi, B.F.
登録日2017-07-16
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献Analysis of the natively unstructured RNA/protein-recognition core in the Escherichia coli RNA degradosome and its interactions with regulatory RNA/Hfq complexes.
Nucleic Acids Res., 46, 2018
5OID
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BU of 5oid by Molmil
Complex Trichoplax STIL-NTD:human CEP85 coiled coil domain 4
分子名称: Centrosomal protein of 85 kDa, Putative uncharacterized protein
著者van Breugel, M.
登録日2017-07-18
公開日2018-04-18
最終更新日2018-05-09
実験手法X-RAY DIFFRACTION (4.6 Å)
主引用文献Direct binding of CEP85 to STIL ensures robust PLK4 activation and efficient centriole assembly.
Nat Commun, 9, 2018
6UFH
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BU of 6ufh by Molmil
Co-crystal structure of M. tuberculosis ileS T-box in complex with tRNA-3'-2'3'cyclic phosphate
分子名称: MAGNESIUM ION, RNA (167-MER), RNA (77-MER)
著者Battaglia, R.A, Grigg, J.A, Ke, A.
登録日2019-09-24
公開日2019-11-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.104 Å)
主引用文献Structural basis for tRNA decoding and aminoacylation sensing by T-box riboregulators.
Nat.Struct.Mol.Biol., 26, 2019
7AZ1
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BU of 7az1 by Molmil
14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1013
分子名称: 1-[4-methyl-3-(trifluoromethyl)phenyl]-2-phenyl-imidazole, 14-3-3 protein sigma, CALCIUM ION, ...
著者Wolter, M, Dijck, L.v, Ottmann, C.
登録日2020-11-14
公開日2021-06-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions.
J.Am.Chem.Soc., 143, 2021
6UO5
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BU of 6uo5 by Molmil
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) Y363F mutant complexed with AR-42
分子名称: 1,2-ETHANEDIOL, AR-42, Histone deacetylase 6, ...
著者Osko, J.D, Christianson, D.W.
登録日2019-10-14
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.43934226 Å)
主引用文献Structural Basis of Catalysis and Inhibition of HDAC6 CD1, the Enigmatic Catalytic Domain of Histone Deacetylase 6.
Biochemistry, 58, 2019
5OIQ
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BU of 5oiq by Molmil
InhA (T2A mutant) complexed with 2,6-dimethyl-3-phenylpyridin-4(1H)-one
分子名称: 2,6-dimethyl-3-phenyl-1~{H}-pyridin-4-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Convery, M.A.
登録日2017-07-19
公開日2018-02-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA.
ChemMedChem, 13, 2018
5O6E
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BU of 5o6e by Molmil
Structure of ScPif1 in complex with TTTGGGTT and ADP-AlF4
分子名称: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, CHLORIDE ION, ...
著者Lu, K.Y, Chen, W.F, Rety, S, Liu, N.N, Xu, X.G.
登録日2017-06-06
公開日2017-12-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.345 Å)
主引用文献Insights into the structural and mechanistic basis of multifunctional S. cerevisiae Pif1p helicase.
Nucleic Acids Res., 46, 2018
6SD0
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BU of 6sd0 by Molmil
Structure of beta-galactosidase from Thermotoga maritima.
分子名称: Beta-galactosidase, MAGNESIUM ION
著者Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-07-26
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献The cryo-EM Structure ofThermotoga maritimabeta-Galactosidase: Quaternary Structure Guides Protein Engineering.
Acs Chem.Biol., 15, 2020
5O6S
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BU of 5o6s by Molmil
UbV.B4R, a dimeric ubiquitin variant binding to BIRC4 RING
分子名称: Polyubiquitin-B
著者Gabrielsen, M, Buetow, L, Huang, D.T.
登録日2017-06-07
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献A General Strategy for Discovery of Inhibitors and Activators of RING and U-box E3 Ligases with Ubiquitin Variants.
Mol. Cell, 68, 2017
7AY6
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BU of 7ay6 by Molmil
Crystal structure of the PDE4D catalytic domain in complex with GEBR-41b
分子名称: 1,2-ETHANEDIOL, 2-[(~{Z})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-[(2~{S},6~{S})-2,6-dimethylmorpholin-4-yl]ethanone, MAGNESIUM ION, ...
著者Torretta, A, Abbate, S, Parisini, E.
登録日2020-11-11
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Design, synthesis, biological evaluation and structural characterization of novel GEBR library PDE4D inhibitors.
Eur.J.Med.Chem., 223, 2021
5O75
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BU of 5o75 by Molmil
Ube4B U-box domain
分子名称: SULFATE ION, Ubiquitin conjugation factor E4 B
著者Gabrielsen, M, Buetow, L, Nakasone, M.A, Huang, D.T.
登録日2017-06-08
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.483 Å)
主引用文献A General Strategy for Discovery of Inhibitors and Activators of RING and U-box E3 Ligases with Ubiquitin Variants.
Mol. Cell, 68, 2017
7AX0
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BU of 7ax0 by Molmil
Crystal structure of the computationally designed Scone-E protein co-crystallized with STA form a
分子名称: Keggin (STA), PHOSPHATE ION, SconeE
著者Mylemans, B, Vandebroek, L, Parac-Vogt, T.N, Voet, A.R.D.
登録日2020-11-09
公開日2021-06-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of Scone: pseudosymmetric folding of a symmetric designer protein.
Acta Crystallogr D Struct Biol, 77, 2021
5O79
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BU of 5o79 by Molmil
Klebsiella pneumoniae OmpK36
分子名称: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, MAGNESIUM ION, OmpK36
著者van den berg, B, Pathania, M.
登録日2017-06-08
公開日2018-06-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Getting Drugs into Gram-Negative Bacteria: Rational Rules for Permeation through General Porins.
Acs Infect Dis., 4, 2018
5O7U
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BU of 5o7u by Molmil
Crystal structure of the 7-Fluorotryptophan RSL lectin in complex with Lewis x tetrasaccharide
分子名称: CALCIUM ION, MAGNESIUM ION, Putative fucose-binding lectin protein, ...
著者Varrot, A.
登録日2017-06-09
公開日2018-06-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Effect of Noncanonical Amino Acids on Protein-Carbohydrate Interactions: Structure, Dynamics, and Carbohydrate Affinity of a Lectin Engineered with Fluorinated Tryptophan Analogs.
ACS Chem. Biol., 13, 2018
5OKB
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BU of 5okb by Molmil
High resolution structure of native Gan1D, a putative 6-phospho-beta-galactosidase from Geobacillus stearothermophilus
分子名称: GLYCEROL, IMIDAZOLE, PHOSPHATE ION, ...
著者Lansky, S, Zehavi, A, Shoham, Y, Shoham, G.
登録日2017-07-25
公開日2017-10-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.331 Å)
主引用文献Structural basis for enzyme bifunctionality - the case of Gan1D from Geobacillus stearothermophilus.
FEBS J., 284, 2017
6SF0
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BU of 6sf0 by Molmil
Crystal Structure of Ancestral Flavin-containing monooxygenase (FMO) 2 in the presence of NADP+
分子名称: Ancestral Flavin-containing monooxygenase (FMO) 2, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Nicoll, C, Bailleul, G, Fiorentini, F, Mascotti, M.L, Fraaije, M, Mattevi, A.
登録日2019-07-30
公開日2019-12-25
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献Ancestral-sequence reconstruction unveils the structural basis of function in mammalian FMOs.
Nat.Struct.Mol.Biol., 27, 2020
5OL4
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BU of 5ol4 by Molmil
1.28 A resolution of Sporosarcina pasteurii urease inhibited in the presence of NBPT
分子名称: 1,2-ETHANEDIOL, NICKEL (II) ION, Phosphoramidothioic O,O-acid, ...
著者Mazzei, L, Cianci, M, Musiani, F, Ciurli, S.
登録日2017-07-26
公開日2018-03-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Urease Inhibition in the Presence of N-(n-Butyl)thiophosphoric Triamide, a Suicide Substrate: Structure and Kinetics.
Biochemistry, 56, 2017
5OLM
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BU of 5olm by Molmil
TRIM21
分子名称: E3 ubiquitin-protein ligase TRIM21, ZINC ION
著者James, L.C.
登録日2017-07-28
公開日2018-04-25
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Intracellular antibody signalling is regulated by phosphorylation of the Fc receptor TRIM21.
Elife, 7, 2018
5OLR
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BU of 5olr by Molmil
Rhamnogalacturonan lyase
分子名称: CALCIUM ION, PHOSPHATE ION, Rhamnogalacturonan lyase, ...
著者Basle, A, Luis, A.S, Gilbert, H.J.
登録日2017-07-28
公開日2017-11-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides.
Nat Microbiol, 3, 2018
5O9D
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BU of 5o9d by Molmil
Crystal structure of R. ruber ADH-A, mutant Y294F, W295A, Y54F, F43H, H39Y
分子名称: (2~{S})-2-methylpentanedioic acid, Alcohol dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Dobritzsch, D, Maurer, D, Hamnevik, E, Enugala, T.R, Widersten, M.
登録日2017-06-19
公開日2017-10-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Relaxation of nonproductive binding and increased rate of coenzyme release in an alcohol dehydrogenase increases turnover with a nonpreferred alcohol enantiomer.
FEBS J., 284, 2017
6SHY
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BU of 6shy by Molmil
Structure of L320A/H321S double mutant of Rex8A from Paenibacillus barcinonensis
分子名称: 1,2-ETHANEDIOL, Reducing-end xylose-releasing exo-oligoxylanase Rex8A
著者Jimenez-Ortega, E, Ramirez-Escudero, M, Sanz-Aparicio, J.
登録日2019-08-08
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structural analysis of the reducing-end xylose-releasing exo-oligoxylanase Rex8A from Paenibacillus barcinonensis BP-23 deciphers its molecular specificity.
Febs J., 287, 2020
6SI5
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BU of 6si5 by Molmil
T. cruzi FPPS in complex with 1-methyl-5-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbonyl)pyridin-2(1H)-one
分子名称: 5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one, Farnesyl diphosphate synthase, SULFATE ION
著者Petrick, J.K, Muenzker, L, Schleberger, C, Cornaciu, I, Clavel, D, Marquez, J.A, Jahnke, W.
登録日2019-08-08
公開日2020-08-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.097 Å)
主引用文献Targeting farnesyl pyrophosphate synthase of Trypanosoma cruzi by fragment-based lead discovery
Thesis, 2019

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