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5OVH
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BU of 5ovh by Molmil
Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 21
分子名称: 1,2-ETHANEDIOL, Son of sevenless homolog 1, [2-[5-[(1~{R})-1-[(6,7-dimethoxy-2-methyl-5,8-dihydroquinazolin-4-yl)amino]ethyl]thiophen-2-yl]phenyl]methanol
著者Hillig, R.C, Sautier, B, Schroeder, J, Moosmayer, D, Hilpmann, A, Stegmann, C.M, Briem, H, Boemer, U, Weiske, J, Badock, V, Petersen, K, Kahmann, J, Wegener, D, Bohnke, N, Eis, K, Graham, K, Wortmann, L, von Nussbaum, F, Bader, B.
登録日2017-08-28
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
5ZKN
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BU of 5zkn by Molmil
Structure of N-acetylmannosamine-6-phosphate 2-epimerase from Fusobacterium nucleatum
分子名称: CHLORIDE ION, Putative N-acetylmannosamine-6-phosphate 2-epimerase
著者Manjunath, L.
登録日2018-03-24
公開日2018-09-19
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.205 Å)
主引用文献Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Acta Crystallogr F Struct Biol Commun, 74, 2018
3GUR
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BU of 3gur by Molmil
Crystal Structure of mu class glutathione S-transferase (GSTM2-2) in complex with glutathione and 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX)
分子名称: 1,2-ETHANEDIOL, GLUTATHIONE, Glutathione S-transferase Mu 2, ...
著者Federici, L, Lo Sterzo, C, Di Matteo, A, Scaloni, F, Federici, G, Caccuri, A.M.
登録日2009-03-30
公開日2009-10-27
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for the binding of the anticancer compound 6-(7-nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol to human glutathione s-transferases
Cancer Res., 69, 2009
3H1S
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BU of 3h1s by Molmil
Crystal structure of superoxide dismutase from Francisella tularensis subsp. tularensis SCHU S4
分子名称: FE (III) ION, GLYCEROL, Superoxide dismutase
著者Nocek, B, Zhou, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2009-04-13
公開日2009-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of superoxide dismutase from Francisella tularensis subsp. tularensis SCHU S4
To be Published
7YX3
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BU of 7yx3 by Molmil
Structure of the Mimivirus genomic fibre in its compact 6-start helix form
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative GMC-type oxidoreductase
著者Villalta, A, Schmitt, A, Estrozi, L.F, Quemin, E.R.J, Alempic, J.M, Lartigue, A, Prazak, V, Belmudes, L, Vasishtan, D, Colmant, A.M.G, Honore, F.A, Coute, Y, Grunewald, K, Abergel, C.
登録日2022-02-15
公開日2022-08-10
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献The giant mimivirus 1.2 Mb genome is elegantly organized into a 30-nm diameter helical protein shield.
Elife, 11, 2022
3H8B
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BU of 3h8b by Molmil
A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors(compound 9)
分子名称: Cathepsin L1, N~2~,N~6~-bis(biphenyl-4-ylacetyl)-L-lysyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide
著者Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J.
登録日2009-04-29
公開日2009-10-20
最終更新日2014-02-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A combined crystallographic and molecular dynamics study of cathepsin L retrobinding inhibitors
J.Med.Chem., 52, 2009
5ORH
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BU of 5orh by Molmil
The crystal structure of CK2alpha in complex with compound 2
分子名称: ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-(2-methylphenyl)phenyl]methanamine
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-08-16
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
3H0X
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BU of 3h0x by Molmil
Crystal structure of peptide-binding domain of Kar2 protein from Saccharomyces cerevisiae
分子名称: 78 kDa glucose-regulated protein homolog
著者Osipiuk, J, Bigelow, L, Gu, M, Sahi, C, Craig, E.A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2009-04-10
公開日2009-04-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献X-ray crystal structure of peptide-binding domain of Kar2 protein from Saccharomyces cerevisiae.
To be Published
3GLT
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BU of 3glt by Molmil
Crystal Structure of Human SIRT3 with ADPR bound to the AceCS2 peptide containing a thioacetyl lysine
分子名称: Acetyl-coenzyme A synthetase 2-like, mitochondrial, CARBONATE ION, ...
著者Jin, L, Wei, W, Jiang, Y, Peng, H, Cai, J, Mao, C, Dai, H, Bemis, J.E, Jirousek, M.R, Milne, J.C, Westphal, C.H, Perni, R.B.
登録日2009-03-12
公開日2009-06-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of Human SIRT3 Displaying Substrate-induced Conformational Changes.
J.Biol.Chem., 284, 2009
6RFT
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BU of 6rft by Molmil
Crystal structure of Eis2 from Mycobacterium abscessus bound to Acetyl-CoA
分子名称: ACETYL COENZYME *A, Uncharacterized N-acetyltransferase D2E36_21790
著者Blaise, M, Kremer, L, Olieric, V, Alsarraf, H, Ung, K.L.
登録日2019-04-16
公開日2019-07-10
最終更新日2019-11-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of the aminoglycosides N-acetyltransferase Eis2 from Mycobacterium abscessus.
Febs J., 286, 2019
5OT2
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BU of 5ot2 by Molmil
RNA polymerase II elongation complex in the presence of 3d-Napht-A
分子名称: 2-ethyl-7-methoxy-naphthalene, DNA non-template strand, DNA template strand, ...
著者Malvezzi, S, Farnung, L, Aloisi, C, Angelov, T, Cramer, P, Sturla, S.J.
登録日2017-08-19
公開日2017-11-01
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Mechanism of RNA polymerase II stalling by DNA alkylation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3GNZ
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BU of 3gnz by Molmil
Toxin fold for microbial attack and plant defense
分子名称: 25 kDa protein elicitor, MAGNESIUM ION
著者Ottmann, C, Luberacki, B, Kuefner, I, Koch, W, Brunner, F, Weyand, M, Mattinen, L, Pirhonen, M, Anderluh, G, Seitz, H.U, Nuernberger, T, Oecking, C.
登録日2009-03-18
公開日2009-06-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A common toxin fold mediates microbial attack and plant defense
Proc.Natl.Acad.Sci.USA, 106, 2009
5OVJ
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BU of 5ovj by Molmil
Structure of the apo form of Mycobacterium smegmatis MabA
分子名称: 3-oxoacyl-[acyl-carrier-protein] reductase FabG, SULFATE ION
著者Kussau, T, Van Wyk, N, Viljoen, A, Olieric, V, Flipo, M, Kremer, L, Blaise, M.
登録日2017-08-29
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural rearrangements occurring upon cofactor binding in the Mycobacterium smegmatis beta-ketoacyl-acyl carrier protein reductase MabA.
Acta Crystallogr D Struct Biol, 74, 2018
6RKZ
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BU of 6rkz by Molmil
Recombinant Pseudomonas stutzeri nitrous oxide reductase, form II
分子名称: (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Zhang, L, Wuest, A, Prasser, B, Mueller, C, Einsle, O.
登録日2019-04-30
公開日2019-06-26
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.601 Å)
主引用文献Functional assembly of nitrous oxide reductase provides insights into copper site maturation.
Proc.Natl.Acad.Sci.USA, 116, 2019
5Z9C
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BU of 5z9c by Molmil
Solution NMR structures of BRD4 first bromodomain with small compound MMQO
分子名称: 8-methoxy-6-methylquinolin-4(1H)-one, Bromodomain-containing protein 4
著者Zeng, L, Zhou, M.-M.
登録日2018-02-02
公開日2018-02-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献A New Quinoline BRD4 Inhibitor Targets a Distinct Latent HIV-1 Reservoir for Reactivation from Other "Shock" Drugs.
J. Virol., 92, 2018
5OVR
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BU of 5ovr by Molmil
X-Ray Characterization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors
分子名称: Tyrosine-protein phosphatase non-receptor type 5, [(~{S})-[4-[3-[(~{R})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid
著者Kack, H, Wissler, L.
登録日2017-08-29
公開日2017-11-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献X-ray Characterization and Structure-Based Optimization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors.
J. Med. Chem., 60, 2017
6RLV
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BU of 6rlv by Molmil
Trypanosoma brucei Seryl-tRNA Synthetase in Complex with 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine
分子名称: 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine, GLYCEROL, MALONATE ION, ...
著者Pang, L, De Graef, S, Strelkov, S.V, Weeks, S.D.
登録日2019-05-02
公開日2020-01-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insights into the Binding of Natural Pyrimidine-Based Inhibitors of Class II Aminoacyl-tRNA Synthetases.
Acs Chem.Biol., 15, 2020
5ZNU
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BU of 5znu by Molmil
Structure of omega conotoxin Bu8
分子名称: Omega-conotoxin-like Bu8
著者Liu, X, Jiang, L.
登録日2018-04-11
公開日2019-04-17
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of omega conotoxin bu8
To Be Published
7ZE1
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BU of 7ze1 by Molmil
Tribolium castaneum hexamerin 2
分子名称: Larval serum protein 1 gamma chain-like Protein
著者Valentova, L, Fuzik, T, Plevka, P.
登録日2022-03-30
公開日2022-11-23
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Polyelectrolyte coating of cryo-EM grids improves lateral distribution and prevents aggregation of macromolecules.
Acta Crystallogr D Struct Biol, 78, 2022
5OY9
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BU of 5oy9 by Molmil
VSV G CR3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Albertini, A.A, Belot, L, Legrand, P, Gaudin, Y.
登録日2017-09-08
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Structural basis for the recognition of LDL-receptor family members by VSV glycoprotein.
Nat Commun, 9, 2018
5OYF
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BU of 5oyf by Molmil
The crystal structure of CK2alpha in complex with compound 31
分子名称: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha
著者Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D.
登録日2017-09-08
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
5OYL
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BU of 5oyl by Molmil
VSV G CR2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
著者Albertini, A.A, Belot, L, Legrand, P, Gaudin, Y.
登録日2017-09-11
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis for the recognition of LDL-receptor family members by VSV glycoprotein.
Nat Commun, 9, 2018
6RNX
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BU of 6rnx by Molmil
Crystal structure of the essential repressor DdrO from radiation-resistant Deinococcus bacteria (Deinococcus deserti)
分子名称: CHLORIDE ION, HTH-type transcriptional regulator DdrOC
著者Arnoux, P, Siponen, M.I, Pignol, D, De Groot, A, Blanchard, L.
登録日2019-05-09
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus.
Nucleic Acids Res., 47, 2019
3H73
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BU of 3h73 by Molmil
Crystal structure of Streptococcus pneumoniae D39 neuraminidase A precursor (NanA) in complex with DANA
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Sialidase A
著者Hsiao, Y.-S, Tong, L.
登録日2009-04-24
公開日2009-05-12
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structures of respiratory pathogen neuraminidases
Biochem.Biophys.Res.Commun., 380, 2009
5ZX2
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Mycobacterium tuberculosis RNA polymerase transcription initiation complex with ECF sigma factor sigma H and 7nt RNA
分子名称: DNA (47-MER), DNA (48-MER), DNA-directed RNA polymerase subunit alpha, ...
著者Li, L, Zhang, Y.
登録日2018-05-17
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for transcription initiation by bacterial ECF sigma factors.
Nat Commun, 10, 2019

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