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6ZC3
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BU of 6zc3 by Molmil
Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
分子名称: 1,2-ETHANEDIOL, 5-fluoranyl-2-(methylsulfonylamino)benzoic acid, Dishevelled, ...
著者Roske, Y, Heinemann, U, Oschkinat, H.
登録日2020-06-09
公開日2021-06-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Small-molecule inhibitors of the PDZ domain of Dishevelled proteins interrupt Wnt signalling
J.Magn.Reson., 2021
5O1W
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BU of 5o1w by Molmil
Structure of Nrd1 RNA binding domain
分子名称: 1,2-ETHANEDIOL, Protein NRD1
著者Franco-Echevarria, E, Perez-Canadillas, J.M, Gonzalez, B.
登録日2017-05-19
公開日2017-08-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The structure of transcription termination factor Nrd1 reveals an original mode for GUAA recognition.
Nucleic Acids Res., 45, 2017
8OMJ
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BU of 8omj by Molmil
hKHK-C in complex with compound 28
分子名称: Ketohexokinase, SULFATE ION, [3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid
著者Pautsch, A, Ebenhoch, R.
登録日2023-03-31
公開日2024-07-10
最終更新日2024-09-04
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献Discovery of BI-9787, a potent zwitterionic ketohexokinase inhibitor with oral bioavailability.
Bioorg.Med.Chem.Lett., 112, 2024
6SE7
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BU of 6se7 by Molmil
R600A mutant from Mycoplasma genitalium P110 Adhesin at 1.87 Angstroms resolution
分子名称: Mgp-operon protein 3, POTASSIUM ION
著者Fita, I, Aparicio, D.
登録日2019-07-29
公開日2020-08-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献R600A mutant from Mycoplasma genitalium P110 Adhesin at 1.87 Angstroms resolution
To Be Published
9XY2
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BU of 9xy2 by Molmil
One of a series of engineered variants of I-OnuI meganuclease targeting altered DNA target sequence
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Werther, R, Schwensen, J.S, Stoddard, B.L.
登録日2025-08-25
公開日2025-09-10
実験手法X-RAY DIFFRACTION (2.402 Å)
主引用文献Prediction, modeling and design of protein-DNA recognition via computational and machine learning approaches: accomplishments and remaining challenges
To Be Published
6SIZ
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BU of 6siz by Molmil
PaaK family AMP-ligase with ANP and substrate
分子名称: 1,2-ETHANEDIOL, 3-HYDROXYANTHRANILIC ACID, AMP-dependent synthetase and ligase, ...
著者Naismith, J.H, Song, H.
登録日2019-08-12
公開日2020-01-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
8CTJ
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BU of 8ctj by Molmil
Cryo-EM structure of TMEM87A
分子名称: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Transmembrane protein 87A
著者Hoel, C.M, Zhang, L, Brohawn, S.G.
登録日2022-05-15
公開日2022-07-20
最終更新日2022-11-30
実験手法ELECTRON MICROSCOPY (4.74 Å)
主引用文献Structure of the GOLD-domain seven-transmembrane helix protein family member TMEM87A.
Elife, 11, 2022
6XG1
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BU of 6xg1 by Molmil
Class C beta-lactamase from Escherichia coli
分子名称: 1,2-ETHANEDIOL, Beta-lactamase
著者Chang, C, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-06-16
公開日2020-06-24
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Class C beta-lactamase from Escherichia coli
To Be Published
7QS0
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BU of 7qs0 by Molmil
Crystal structure of B30.2 PRYSPRY domain of TRIM10
分子名称: 1,2-ETHANEDIOL, Tripartite motif-containing protein 10
著者Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2022-01-12
公開日2022-05-04
最終更新日2025-09-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural analysis of TRIM family PRYSPRY domains and its implications for E3-ligand design.
J Struct Biol X, 12, 2025
6XEB
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BU of 6xeb by Molmil
STRUCTURE OF HUMAN HDAC2 IN COMPLEX WITH KETONE INHIBITOR (COMPOUND E)
分子名称: 5-{(1S)-7,7-dihydroxy-1-[(1-methylazetidine-3-carbonyl)amino]nonyl}-2-phenyl-1H-imidazole-4-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Klein, D.J, Clausen, D.
登録日2020-06-12
公開日2020-08-12
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Development of a selective HDAC inhibitor aimed at reactivating the HIV latent reservoir.
Bioorg.Med.Chem.Lett., 30, 2020
7MPS
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BU of 7mps by Molmil
Brucella melitensis NrnC with engaged loop
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, NanoRNase C, SULFATE ION
著者Lormand, J.D, Sondermann, H.
登録日2021-05-04
公開日2021-09-15
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural characterization of NrnC identifies unifying features of dinucleotidases.
Elife, 10, 2021
6PTM
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BU of 6ptm by Molmil
Crystal structure of apo exo-carrageenase GH42 from Bacteroides ovatus
分子名称: 1,2-ETHANEDIOL, Uncharacterized protein
著者Hettle, A.G, Boraston, A.B.
登録日2019-07-16
公開日2019-09-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Insights into the kappa / iota-carrageenan metabolism pathway of some marinePseudoalteromonasspecies.
Commun Biol, 2, 2019
8RQI
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BU of 8rqi by Molmil
Structure of Rhizobium NopD with ubiquitin
分子名称: NopD, Polyubiquitin-B, prop-2-en-1-amine
著者Reverter, D, Li, Y.
登録日2024-01-18
公開日2024-11-20
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Broad-spectrum ubiquitin/ubiquitin-like deconjugation activity of the rhizobial effector NopD from Bradyrhizobium (sp. XS1150).
Commun Biol, 7, 2024
8IYB
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BU of 8iyb by Molmil
Structure insight into substrate recognition and catalysis by feruloyl esterase from Aspergillus sydowii
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ...
著者Phienluphon, A, Kondo, K, Mikami, B, Nagata, T, Katahira, M.
登録日2023-04-04
公開日2023-10-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural insights into the molecular mechanisms of substrate recognition and hydrolysis by feruloyl esterase from Aspergillus sydowii.
Int.J.Biol.Macromol., 253, 2023
8ZW0
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BU of 8zw0 by Molmil
Cryo-EM strcuture of Prostaglandin D2 Receptor DP1 activated by PGD2
分子名称: CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
著者Xu, J, Xu, Y, Wu, C, Xu, H.E.
登録日2024-06-12
公開日2025-05-28
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献Molecular basis for ligand recognition and receptor activation of the prostaglandin D2 receptor DP1.
Proc.Natl.Acad.Sci.USA, 122, 2025
8IYC
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BU of 8iyc by Molmil
Structure insight into substrate recognition and catalysis by feruloyl esterase from Aspergillus sydowii
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Phienluphon, A, Kondo, K, Mikami, B, Nagata, T, Katahira, M.
登録日2023-04-04
公開日2023-10-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural insights into the molecular mechanisms of substrate recognition and hydrolysis by feruloyl esterase from Aspergillus sydowii.
Int.J.Biol.Macromol., 253, 2023
6ZK3
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BU of 6zk3 by Molmil
Plant nucleoside hydrolase - ZmNRh2b in complex with ribose
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2020-06-29
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
6ZK4
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BU of 6zk4 by Molmil
Plant nucleoside hydrolase - ZmNRh2b with a bound adenine
分子名称: 1,2-ETHANEDIOL, ADENINE, CALCIUM ION, ...
著者Morera, S, Vigouroux, A, Kopecny, D.
登録日2020-06-29
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Plant nucleoside N-ribohydrolases: riboside binding and role in nitrogen storage mobilization.
Plant J., 2023
9NZ3
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BU of 9nz3 by Molmil
SARS-CoV M protein dimer in complex with JNJ-9676 and FAb B
分子名称: (6S,8R)-N-(3-cyanophenyl)-5-{4-[difluoro(phenyl)methyl]phenyl}-6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide, FAb B heavy chain, FAb B light chain, ...
著者Mann, M.K, Abeywickrema, P.
登録日2025-03-31
公開日2025-10-29
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献SARS-CoV M protein dimer in complex with JNJ-9676 and FAb B
To Be Published
6URY
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BU of 6ury by Molmil
Crystal structure of ricin A chain in complex with inhibitor 9-oxo-4-fluorenecarboxamide
分子名称: 1,2-ETHANEDIOL, 9-oxo-9H-fluorene-4-carboxamide, CHLORIDE ION, ...
著者Harijan, R.K, Li, X.P, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L.
登録日2019-10-24
公開日2020-06-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Small Molecule Inhibitors Targeting the Interaction of Ricin Toxin A Subunit with Ribosomes.
Acs Infect Dis., 6, 2020
8J5M
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BU of 8j5m by Molmil
Structure of GH1 Br2 beta-glucosidase E350G mutant from bovine rumen metagenome
分子名称: ACETATE ION, Beta-glucosidase, SULFATE ION
著者Kaenying, W, Kongsaeree, P.T, Tagami, T.
登録日2023-04-23
公開日2023-11-22
最終更新日2024-01-03
実験手法X-RAY DIFFRACTION (1.621 Å)
主引用文献Structural and mutational analysis of glycoside hydrolase family 1 Br2 beta-glucosidase derived from bovine rumen metagenome.
Heliyon, 9, 2023
8DPQ
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BU of 8dpq by Molmil
Beta-lactamase CTX-M-14 N170A
分子名称: 1,2-ETHANEDIOL, Beta-lactamase
著者Lu, S, Neetu, N, Palzkill, T.
登録日2022-07-15
公開日2023-04-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance.
J.Biol.Chem., 299, 2023
7N7G
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BU of 7n7g by Molmil
Crystal Structure of FosB from Enterococcus faecium with Fosfomycin
分子名称: 1,2-ETHANEDIOL, FOSFOMYCIN, MANGANESE (II) ION, ...
著者Shay, M.R, Simmons, Z, Thompson, M.K.
登録日2021-06-10
公開日2022-07-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and functional characterization of fosfomycin resistance conferred by FosB from Enterococcus faecium.
Protein Sci., 31, 2022
6ZMN
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BU of 6zmn by Molmil
Crystal structure of the Smad3-Smad5 MH1 domain chimera bound to the GGCGC site
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DNA (5'-D(P*TP*GP*CP*AP*GP*GP*CP*GP*CP*GP*CP*CP*TP*GP*CP*A)-3'), ...
著者Pluta, R, Macias, M.J.
登録日2020-07-03
公開日2020-08-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.333 Å)
主引用文献Unveiling the dimer/monomer propensities of Smad MH1-DNA complexes.
Comput Struct Biotechnol J, 19, 2021
6IRC
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BU of 6irc by Molmil
C-terminal domain of Drosophila phospholipase b NORPA, methylated
分子名称: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase
著者Ye, F, Li, J, Huang, Y, Liu, W, Zhang, M.
登録日2018-11-12
公開日2019-01-02
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (3.538 Å)
主引用文献An unexpected INAD PDZ tandem-mediated plc beta binding in Drosophila photo receptors.
Elife, 7, 2018

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