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8R06
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CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLANOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE
分子名称: (1~{R},2~{S},3~{S},4~{S},5~{R},6~{R})-5-azanyl-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, CALCIUM ION, CHLORIDE ION, ...
著者Offen, W.A, Davies, G.J, Breen, I.Z.
登録日2023-10-30
公開日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献CRYSTAL STRUCTURE OF THERMOANAEROBACTERIUM XYLOLYTICUM GH116 BETA-GLUCOSIDASE WITH A COVALENTLY BOUND CYCLOPHELLITOL AZIRIDINE
JACS, 40, 2017
6OYW
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BU of 6oyw by Molmil
ASK1 kinase domain in complex with Compound 11
分子名称: (19S)-19-methyl-16,17,18,19-tetrahydro-8,4-(azeno)[1,2,4]triazolo[4,3-f][1,6,13]benzoxadiazacyclohexadecin-10(9H)-one, MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase 5
著者Marcotte, D.J.
登録日2019-05-15
公開日2019-11-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.603 Å)
主引用文献Rational Design and Optimization of a Novel Class of Macrocyclic Apoptosis Signal-Regulating Kinase 1 Inhibitors.
J.Med.Chem., 62, 2019
6B2W
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BU of 6b2w by Molmil
C. Jejuni C315S Agmatine Deiminase with Substrate Bound
分子名称: AGMATINE, POTASSIUM ION, Putative peptidyl-arginine deiminase family protein
著者Shek, R, Hicks, K.A, French, J.B.
登録日2017-09-20
公開日2017-12-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Functional Basis for Targeting Campylobacter jejuni Agmatine Deiminase To Overcome Antibiotic Resistance.
Biochemistry, 56, 2017
5F0H
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BU of 5f0h by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 28 at 1.99A resolution
分子名称: 3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide, HTH-type transcriptional regulator EthR
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-27
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
6XMC
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Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(2-(6-aminopyridin-2-yl)ethyl)phenoxy)methyl)quinolin-2-amine
分子名称: 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine, CHLORIDE ION, GLYCEROL, ...
著者Lewis, M.C, Poulos, T.L.
登録日2020-06-30
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Selective Anti-MRSA inhibitors targeting Nitric Oxide Synthase
To Be Published
8A3N
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BU of 8a3n by Molmil
Geissoschizine synthase from Catharanthus roseus - binary complex with NADP+
分子名称: Geissoschizine synthase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION
著者Langley, C, Tatsis, E, Hong, B, Nakamura, Y, Kamileen, M.O, Paetz, C, Stevenson, C.E.M, Basquin, J, Lawson, D.M, Caputi, L, O'Connor, S.E.
登録日2022-06-08
公開日2022-10-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Expansion of the Catalytic Repertoire of Alcohol Dehydrogenases in Plant Metabolism.
Angew.Chem.Int.Ed.Engl., 61, 2022
8QTO
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CRYSTAL STRUCTURE OF HOLO-L28H-FNR OF A. FISCHERI
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, FNR type regulator, IRON/SULFUR CLUSTER
著者Volbeda, A, Fontecilla-Camps, J.C.
登録日2023-10-13
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Probing the Reactivity of [4Fe-4S] Fumarate and Nitrate Reduction (FNR) Regulator with O2 and NO: Increased O2 Resistance and Relative Specificity for NO of the [4Fe-4S] L28H FNR Cluster
Inorganics (Basel), 11, 2023
8A0I
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BU of 8a0i by Molmil
Crystal structure of poplar glutathione transferase U20 in complex with glutathionylphenylacetophenone
分子名称: Glutathione transferase, L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine
著者Didierjean, C, Favier, F.
登録日2022-05-27
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.624 Å)
主引用文献Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Front Mol Biosci, 9, 2022
8QHL
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BU of 8qhl by Molmil
Human Angiotensin-1 converting enzyme N-domain in complex with the lactotripeptide VPP
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
著者Gregory, K.S, Cozier, G.E, Acharya, K.R.
登録日2023-09-08
公開日2023-11-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural insights into the inhibitory mechanism of angiotensin-I-converting enzyme by the lactotripeptides IPP and VPP.
Febs Lett., 598, 2024
6ISJ
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BU of 6isj by Molmil
Crystal structure of CX-4945 bound CK2 alpha from C. neoformans
分子名称: 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION
著者Cho, H.S.
登録日2018-11-16
公開日2019-11-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of CX-4945 bound CK2 alpha from C. neoformans
To be published
5UB9
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BU of 5ub9 by Molmil
Catalytic core domain of Adenosine triphosphate phosphoribosyltransferase from Campylobacter jejuni
分子名称: ACETATE ION, ATP phosphoribosyltransferase, CHLORIDE ION, ...
著者Mittelstaedt, G, Jiao, W, Livingstone, E.K, Parker, E.J.
登録日2016-12-20
公開日2017-12-20
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A dimeric catalytic core relates the short and long forms of ATP-phosphoribosyltransferase.
Biochem. J., 475, 2018
7ZQ4
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BU of 7zq4 by Molmil
Crystal structure of photosynthetic glyceraldehyde-3-phosphate dehydrogenase from Chlamydomonas reinhardtii (CrGAPA) complexed with NADP+ and the oxidated catalytic cysteine
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase A, ...
著者Fermani, S, Zaffagnini, M, Lemaire, S.D, Falini, G, Fanti, S, Rossi, J.
登録日2022-04-29
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural snapshots of nitrosoglutathione binding and reactivity underlying S-nitrosylation of photosynthetic GAPDH.
Redox Biol, 54, 2022
7JZA
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BU of 7jza by Molmil
Dihydrodipicolinate synthase S48F mutant with lysine in the allosteric site, and pyruvate and succinic semi-aldehyde in the catalytic site
分子名称: 4-hydroxy-tetrahydrodipicolinate synthase, GLYCEROL, LYSINE, ...
著者Board, A.J, Dobson, R.C.J.
登録日2020-09-01
公開日2021-09-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Mapping the uncharted water channel of DHDPS
To Be Published
6XNL
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BU of 6xnl by Molmil
GCN4-p1 Peptide Trimer with iodo-phenylalanine residue at position 16 (IPF-F16)
分子名称: GCN4-p1 Peptide with A16, GCN4-p1 Peptide with IPF-F16, SODIUM ION
著者Rowe Hartje, R.K, Czarny, R.S, Ho, A.
登録日2020-07-03
公開日2021-07-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Engineering Specific Protein-Protein Interactions Through Halogen and Hydrogen Bonds
To Be Published
7PLP
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BU of 7plp by Molmil
Human Teneurin-4 C-rich domain
分子名称: CALCIUM ION, FE (III) ION, NICKEL (II) ION, ...
著者Beugelink, J.W, Meijer, D.H, Janssen, B.J.C.
登録日2021-09-01
公開日2022-02-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Teneurin4 dimer structures reveal a calcium-stabilized compact conformation supporting homomeric trans-interactions.
Embo J., 41, 2022
8A08
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BU of 8a08 by Molmil
Crystal structure of poplar glutathione transferase U20 in complex with glutathione
分子名称: GLUTATHIONE, Glutathione transferase
著者Didierjean, C, Favier, F.
登録日2022-05-27
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.645 Å)
主引用文献Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Front Mol Biosci, 9, 2022
6BFZ
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BU of 6bfz by Molmil
Crystal structure of enolase from E. coli with a mixture of apo form, substrate, and product form
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-PHOSPHOGLYCERIC ACID, Enolase, ...
著者Erlandsen, H, Wright, D, Krucinska, J.
登録日2017-10-27
公開日2018-10-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structural and Functional Studies of Bacterial Enolase, a Potential Target against Gram-Negative Pathogens.
Biochemistry, 58, 2019
5UBJ
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BU of 5ubj by Molmil
Structure of an alpha-L-arabinofuranosidase (GH62) from Aspergillus nidulans
分子名称: Alpha-L-arabinofuranosidase axhA-2, CALCIUM ION
著者Liberato, M.V, Contesini, F.J, Damasio, A.R, Squina, F.M.
登録日2016-12-20
公開日2017-09-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural and functional characterization of a highly secreted alpha-l-arabinofuranosidase (GH62) from Aspergillus nidulans grown on sugarcane bagasse.
Biochim. Biophys. Acta, 1865, 2017
6OZO
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BU of 6ozo by Molmil
Crystal structure of Mus musculus (Mm) Endonuclease V in complex with a 23mer RNA oligo containing an inosine after a 30 min soak in 10 mM Mn2+
分子名称: 1,2-ETHANEDIOL, DNA/RNA (5'-R(*CP*GP*GP*UP*AP*AP*CP*CP*C)-D(P*I)-R(P*AP*UP*AP*UP*GP*CP*AP*UP*GP*CP*AP*UP*U)-3'), Endonuclease V, ...
著者Samara, N.L, Yang, W.
登録日2019-05-15
公開日2019-09-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.235 Å)
主引用文献Evolution of Inosine-Specific Endonuclease V from Bacterial DNase to Eukaryotic RNase.
Mol.Cell, 76, 2019
6ISP
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BU of 6isp by Molmil
structure of Candida antarctica Lipase B mutant
分子名称: CALCIUM ION, Lipase B, N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE
著者Cen, Y.X, Zhou, J.H, Wu, Q.
登録日2018-11-18
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Artificial cysteine-lipases with high activity and altered catalytic mechanism created by laboratory evolution.
Nat Commun, 10, 2019
5U2V
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BU of 5u2v by Molmil
Structure of human MR1-HMB in complex with human MAIT A-F7 TCR
分子名称: 2-hydroxy-5-methoxybenzaldehyde, Beta-2-microglobulin, GLYCEROL, ...
著者Keller, A.N, Rossjohn, J.
登録日2016-12-01
公開日2017-02-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Drugs and drug-like molecules can modulate the function of mucosal-associated invariant T cells.
Nat. Immunol., 18, 2017
8A0R
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BU of 8a0r by Molmil
Crystal structure of poplar glutathione transferase U20 in complex with pinocembrin
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Glutathione transferase, ...
著者Didierjean, C, Favier, F.
登録日2022-05-30
公開日2022-07-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Biochemical and Structural Insights on the Poplar Tau Glutathione Transferase GSTU19 and 20 Paralogs Binding Flavonoids.
Front Mol Biosci, 9, 2022
6EKC
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BU of 6ekc by Molmil
Crystal structure of the BSD2 homolog of Arabidopsis thaliana bound to the octameric assembly of RbcL from Thermosynechococcus elongatus
分子名称: DnaJ/Hsp40 cysteine-rich domain superfamily protein, Ribulose bisphosphate carboxylase large chain, ZINC ION
著者Aigner, H, Wilson, R.H, Bracher, A, Calisse, L, Bhat, J.Y, Hartl, F.U, Hayer-Hartl, M.
登録日2017-09-26
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Plant RuBisCo assembly in E. coli with five chloroplast chaperones including BSD2.
Science, 358, 2017
6XNF
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GCN4-p1 Peptide Trimer with Tetrafluoroiodophenylalanine residue at position 16 (TFI-F16)
分子名称: GCN4-p1 peptide with A16, GCN4-p1 peptide with TFI-F16, SODIUM ION
著者Rowe Hartje, R.K, Czarny, R.S, Ho, A.
登録日2020-07-02
公開日2021-07-07
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Engineering Specific Protein-Protein Interactions Through Halogen and Hydrogen Bonds
To Be Published
8R2G
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BU of 8r2g by Molmil
Crystal structure of a BRCA2-DMC1 complex
分子名称: Breast cancer type 2 susceptibility protein, Meiotic recombination protein DMC1/LIM15 homolog
著者Dunce, J.M, Davies, O.R.
登録日2023-11-05
公開日2023-11-22
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Crystal structure of a BRCA2-DMC1 complex
To Be Published

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件を2024-08-28に公開中

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