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6FJO
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BU of 6fjo by Molmil
Adenovirus species 26 knob protein, very high resolution
分子名称: Fiber, GLUTAMIC ACID, GLYCEROL, ...
著者Rizkallah, P.J, Parker, A.L, Baker, A.T.
登録日2018-01-22
公開日2019-02-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献Human adenovirus type 26 uses sialic acid-bearing glycans as a primary cell entry receptor.
Sci Adv, 5, 2019
8CPI
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BU of 8cpi by Molmil
Crystal structure of PPAR gamma (PPARG) in complex with WY-14643
分子名称: 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma
著者Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-03-02
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
8CPJ
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Crystal structure of PPAR gamma (PPARG) in an inactive form
分子名称: 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma
著者Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
登録日2023-03-02
公開日2023-07-12
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
8CM9
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BU of 8cm9 by Molmil
Structure of human O-GlcNAc transferase in complex with UDP and tP11
分子名称: PHE-MET-PRO-LYS-TYR-SER-ILE, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE
著者Meek, R.W, Davies, G.J.
登録日2023-02-18
公開日2023-10-04
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Phage display uncovers a sequence motif that drives polypeptide binding to a conserved regulatory exosite of O-GlcNAc transferase.
Proc.Natl.Acad.Sci.USA, 120, 2023
8CAO
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BU of 8cao by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with CA24
分子名称: 1,2-ETHANEDIOL, 8-[2-(4-cyclohexylphenyl)quinolin-4-yl]carbonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione, DI(HYDROXYETHYL)ETHER, ...
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAP
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BU of 8cap by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with CB28
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative ferric reductase, [4-[[(4~{E})-4-(furan-2-ylmethylidene)-2,3-dihydro-1~{H}-acridin-9-yl]carbonyl]piperazin-1-yl]-pyridin-2-yl-methanone
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAL
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BU of 8cal by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M34
分子名称: 3-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CB0
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BU of 8cb0 by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41 and NADP+
分子名称: 1,2-ETHANEDIOL, 15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8CAK
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BU of 8cak by Molmil
Crystal structure of dehydrogenase domain of Cylindrospermum stagnale NADPH-Oxidase 5 (NOX5) in complex with M41
分子名称: 1,2-ETHANEDIOL, 15-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-14-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one, DIMETHYL SULFOXIDE, ...
著者Reis, J, Mattevi, A.
登録日2023-01-24
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Targeting ROS production through inhibition of NADPH oxidases.
Nat.Chem.Biol., 19, 2023
8C3J
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BU of 8c3j by Molmil
Stapled peptide SP2 in complex with humanised RadA mutant HumRadA22
分子名称: 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methyl-amino]ethanoic acid, Breast cancer type 2 susceptibility protein, DNA repair and recombination protein RadA
著者Pantelejevs, T, Hyvonen, M.
登録日2022-12-26
公開日2023-11-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.02 Å)
主引用文献A recombinant approach for stapled peptide discovery yields inhibitors of the RAD51 recombinase.
Chem Sci, 14, 2023
8CP7
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BU of 8cp7 by Molmil
Structure of the disulfide-locked substrate binding protein HiSiaP.
分子名称: N-acetyl-beta-neuraminic acid, Sialic acid-binding periplasmic protein SiaP, ZINC ION
著者Kim, Y, Peter, M.F, Hagelueken, G.
登録日2023-03-02
公開日2023-12-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Conformational coupling of the sialic acid TRAP transporter HiSiaQM with its substrate binding protein HiSiaP.
Nat Commun, 15, 2024
6ENP
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BU of 6enp by Molmil
Atomic resolution structure of human RNase 6 in the presence of phosphate anions in P21 space group.
分子名称: CHLORIDE ION, PHOSPHATE ION, Ribonuclease K6, ...
著者Prats-Ejarque, G, Moussaoui, M, Boix, E.
登録日2017-10-05
公開日2018-10-24
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.042 Å)
主引用文献Characterization of an RNase with two catalytic centers. Human RNase6 catalytic and phosphate-binding site arrangement favors the endonuclease cleavage of polymeric substrates.
Biochim Biophys Acta Gen Subj, 1863, 2019
2JCW
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BU of 2jcw by Molmil
REDUCED BRIDGE-BROKEN YEAST CU/ZN SUPEROXIDE DISMUTASE ROOM TEMPERATURE (298K) STRUCTURE
分子名称: COPPER (I) ION, CU/ZN SUPEROXIDE DISMUTASE, ZINC ION
著者Hart, P.J, Balbirnie, M.M, Ogihara, N.L, Nersissian, A.M, Weiss, M.S, Valentine, J.S, Eisenberg, D.
登録日1998-12-21
公開日1999-06-08
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A structure-based mechanism for copper-zinc superoxide dismutase.
Biochemistry, 38, 1999
2MNR
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BU of 2mnr by Molmil
MECHANISM OF THE REACTION CATALYZED BY MANDELATE RACEMASE. 2. CRYSTAL STRUCTURE OF MANDELATE RACEMASE AT 2.5 ANGSTROMS RESOLUTION: IDENTIFICATION OF THE ACTIVE SITE AND POSSIBLE CATALYTIC RESIDUES
分子名称: MANDELATE RACEMASE, MANGANESE (II) ION, SULFATE ION
著者Neidhart, D.J, Petsko, G.A.
登録日1993-07-06
公開日1994-01-31
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Mechanism of the reaction catalyzed by mandelate racemase. 2. Crystal structure of mandelate racemase at 2.5-A resolution: identification of the active site and possible catalytic residues.
Biochemistry, 30, 1991
7SMH
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BU of 7smh by Molmil
Structure of SASG A-domain (residues 163-419) from Staphylococcus aureus
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Surface protein G
著者Atkin, K.E, Whelan, F, Brentnall, A.S, Dodson, E.J, Turkenburg, J.P, Potts, J.R.
登録日2021-10-25
公開日2022-11-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
7SSI
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BU of 7ssi by Molmil
CRYSTAL STRUCTURE OF THE DESK:DESR-Q10A COMPLEX IN THE PHOSPHOTRANSFER STATE
分子名称: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor histidine kinase DesK, ...
著者Trajtenberg, F, Buschiazzo, A.
登録日2021-11-11
公開日2022-11-16
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.41 Å)
主引用文献An allosteric switch ensures efficient unidirectional information transmission by the histidine kinase DesK from Bacillus subtilis.
Sci.Signal., 16, 2023
7T0C
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BU of 7t0c by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2e
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-5-butyl-4-({1-[(4-chlorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T0D
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BU of 7t0d by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2k
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-propyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.906 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T0B
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BU of 7t0b by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2g
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-5-butyl-4-({1-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.026 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T0E
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BU of 7t0e by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2b
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-(3-chlorophenyl)piperazin-2-one, 1,2-ETHANEDIOL, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.223 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T0A
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BU of 7t0a by Molmil
Cryptococcus neoformans protein farnesyltransferase co-crystallized with FPP and inhibitor 2f
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one, 1,2-ETHANEDIOL, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.099 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T09
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BU of 7t09 by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2d
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 1,2-ETHANEDIOL, 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}benzonitrile, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.984 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T08
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BU of 7t08 by Molmil
Cryptococcus neoformans protein farnesyltransferase in complex with FPP and inhibitor 2q
分子名称: (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 1,2-ETHANEDIOL, 4-{[5-({(2S)-2-butyl-5-oxo-4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl}methyl)-1H-imidazol-1-yl]methyl}-2-fluorobenzonitrile, ...
著者Wang, Y, Shi, Y, Beese, L.S.
登録日2021-11-29
公開日2022-11-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.803 Å)
主引用文献Structure-Guided Discovery of Potent Antifungals that Prevent Ras Signaling by Inhibiting Protein Farnesyltransferase.
J.Med.Chem., 65, 2022
7T17
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BU of 7t17 by Molmil
Zika Virus asymmetric unit bound with IgM antibody DH1017 Fab fragment
分子名称: Core protein, DH1017.IgM FabC constant domain, DH1017.IgM IgH, ...
著者Miller, A.S, Kuhn, R.J.
登録日2021-12-01
公開日2022-11-23
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (5.26 Å)
主引用文献A Zika virus-specific IgM elicited in pregnancy exhibits ultrapotent neutralization.
Cell, 185, 2022
7T5P
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BU of 7t5p by Molmil
Cryo-EM structure of human SIMC1-SLF2 complex
分子名称: SMC5-SMC6 complex localization factor protein 2, SUMO-interacting motif-containing protein 1
著者Maeda, S, Oravcova, M, Boddy, M.N, Otomo, T.
登録日2021-12-13
公開日2022-12-07
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献The Nse5/6-like SIMC1-SLF2 complex localizes SMC5/6 to viral replication centers.
Elife, 11, 2022

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