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6JN6
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BU of 6jn6 by Molmil
Metallo-Beta-Lactamase VIM-2 in complex with Dual MBL/SBL Inhibitor MS19
分子名称: Beta-lactamase class B VIM-2, FORMIC ACID, ZINC ION, ...
著者Li, G.-B, Liu, S.
登録日2019-03-13
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structure-Based Development of (1-(3'-Mercaptopropanamido)methyl)boronic Acid Derived Broad-Spectrum, Dual-Action Inhibitors of Metallo- and Serine-beta-lactamases.
J.Med.Chem., 62, 2019
5KGJ
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BU of 5kgj by Molmil
X-ray structure of a glucosamine N-Acetyltransferase from Clostridium acetobutylicum in complex with galactosamine
分子名称: 1,2-ETHANEDIOL, 2-amino-2-deoxy-alpha-D-galactopyranose, 3-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]PROPANE-1-SULFONIC ACID, ...
著者Dopkins, B.J, Thoden, J.B, Tipton, P.A, Holden, H.M.
登録日2016-06-13
公開日2016-07-06
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Studies on a Glucosamine/Glucosaminide N-Acetyltransferase.
Biochemistry, 55, 2016
6LT6
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BU of 6lt6 by Molmil
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with lysophosphatidylcholine
分子名称: (2R)-2,3-dihydroxypropyl hexadecanoate, 1,2-ETHANEDIOL, Beta-2-microglobulin, ...
著者Shima, Y, Morita, D.
登録日2020-01-21
公開日2020-04-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structures of lysophospholipid-bound MHC class I molecules.
J.Biol.Chem., 295, 2020
7LYM
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BU of 7lym by Molmil
South African (B.1.351) SARS-CoV-2 spike protein variant (S-GSAS-B.1.351) in the RBD-down conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Gobeil, S, Acharya, P.
登録日2021-03-07
公開日2021-03-31
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.57 Å)
主引用文献Effect of natural mutations of SARS-CoV-2 on spike structure, conformation, and antigenicity.
Science, 373, 2021
5LRY
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BU of 5lry by Molmil
E coli [NiFe] Hydrogenase Hyd-1 mutant E28D
分子名称: CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ...
著者Carr, S.B, Phillips, S.E.V, Evans, R.M, Brooke, E.J, Armstrong, F.A.
登録日2016-08-22
公開日2017-09-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase.
J.Am.Chem.Soc., 140, 2018
4WYM
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BU of 4wym by Molmil
Structural basis of HIV-1 capsid recognition by CPSF6
分子名称: Capsid protein p24, ISOFORM 2 OF CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR SUBUNIT 6
著者Battacharya, A, Taylor, A.B, Hart, P.J, Ivanov, D.N.
登録日2014-11-17
公開日2014-12-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of HIV-1 capsid recognition by PF74 and CPSF6.
Proc.Natl.Acad.Sci.USA, 111, 2014
6S6H
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BU of 6s6h by Molmil
Crystal structure of the DNA binding domain of the chromosome-partitioning protein ParB complexed to the centromeric parS site
分子名称: Chromosome-partitioning protein ParB, DNA (5'-D(*GP*AP*TP*GP*TP*TP*TP*CP*AP*CP*GP*TP*GP*AP*AP*AP*CP*AP*TP*C)-3'), GLYCEROL
著者Jalal, A.S.B, Tran, N.T, Stevenson, C.E.M, Tan, E.X, Lawson, D.M, Le, T.B.K.
登録日2019-07-03
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Diversification of DNA-Binding Specificity by Permissive and Specificity-Switching Mutations in the ParB/Noc Protein Family.
Cell Rep, 32, 2020
6Q77
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BU of 6q77 by Molmil
Structure of Fucosylated D-antimicrobial peptide SB12 in complex with the Fucose-binding lectin PA-IIL at 2.002 Angstrom resolution
分子名称: 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ...
著者Baeriswyl, S, Stocker, A, Reymond, J.-L.
登録日2018-12-12
公開日2019-03-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献X-ray Crystal Structures of Short Antimicrobial Peptides as Pseudomonas aeruginosa Lectin B Complexes.
Acs Chem.Biol., 14, 2019
5JE4
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BU of 5je4 by Molmil
Crystal structure of Burkholderia glumae ToxA Y7A mutant with bound S-adenosylhomocysteine (SAH)
分子名称: Methyl transferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E.
登録日2016-04-17
公開日2016-05-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.932 Å)
主引用文献Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis.
Biochemistry, 55, 2016
5JE3
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BU of 5je3 by Molmil
Crystal structure of Burkholderia glumae ToxA Y7A mutant with bound S-adenosylhomocysteine (SAH)
分子名称: Methyl transferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E.
登録日2016-04-17
公開日2016-05-04
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.792 Å)
主引用文献Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis.
Biochemistry, 55, 2016
6QK4
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BU of 6qk4 by Molmil
Lytic transglycosylase, LtgG, of Burkholderia pseudomallei.
分子名称: Membrane-bound lytic murein transglycosylase A
著者Jenkins, C.H, Wallis, R, Allcock, N, Barnes, K.B, Richards, M.I, Auty, J.M, Galyov, E.E, Harding, S.V, Mukamolova, G.V.
登録日2019-01-28
公開日2019-08-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献The lytic transglycosylase, LtgG, controls cell morphology and virulence in Burkholderia pseudomallei.
Sci Rep, 9, 2019
5JE2
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BU of 5je2 by Molmil
Crystal structure of Burkholderia glumae ToxA Y7F mutant with bound S-adenosylhomocysteine (SAH)
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, Methyl transferase, ...
著者Fenwick, M.K, Philmus, B, Begley, T.P, Ealick, S.E.
登録日2016-04-17
公開日2016-05-11
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.519 Å)
主引用文献Burkholderia glumae ToxA Is a Dual-Specificity Methyltransferase That Catalyzes the Last Two Steps of Toxoflavin Biosynthesis.
Biochemistry, 55, 2016
8BF5
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BU of 8bf5 by Molmil
Early transcription elongation state of influenza A/H7N9 polymerase stalled with incoming GTP analogue
分子名称: 3' vRNA, 5' vRNA, MAGNESIUM ION, ...
著者Cusack, S, Kouba, T.
登録日2022-10-24
公開日2022-12-28
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.96 Å)
主引用文献Direct observation of backtracking by influenza A and B polymerases upon consecutive incorporation of the nucleoside analog T1106.
Cell Rep, 42, 2023
7LVB
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BU of 7lvb by Molmil
CHOLERA TOXIN B SUBUNIT WITH ATTACHED SIV EPITOPE
分子名称: CHLORIDE ION, Cholera enterotoxin B-subunit,Surface protein gp120, TRIETHYLENE GLYCOL, ...
著者Patskovsky, Y, Cardozo, T.J.
登録日2021-02-24
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Cholera toxin B scaffolded, focused SIV V2 epitope elicits antibodies that influence the risk of SIV mac251 acquisition in macaques.
Front Immunol, 14, 2023
7ZI4
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BU of 7zi4 by Molmil
Cryo-EM structure of the human INO80 complex bound to a WT nucleosome
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin-related protein 5, BERYLLIUM TRIFLUORIDE ION, ...
著者Vance, N.R, Ayala, R, Willhoft, O, Tvardovskiy, A, McCormack, E.A, Bartke, T, Zhang, X, Wigley, D.B.
登録日2022-04-07
公開日2023-04-19
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Cryo-EM structure of the human INO80 complex bound to a WT nucleosome
To Be Published
6HWK
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BU of 6hwk by Molmil
Glucosamine kinase (crystal form B)
分子名称: CHLORIDE ION, Glucosamine kinase, MAGNESIUM ION
著者Manso, J.A, Pereira, P.J.B.
登録日2018-10-12
公開日2019-05-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.688 Å)
主引用文献Molecular Fingerprints for a Novel Enzyme Family in Actinobacteria with Glucosamine Kinase Activity.
Mbio, 10, 2019
3LZM
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BU of 3lzm by Molmil
STRUCTURAL STUDIES OF MUTANTS OF T4 LYSOZYME THAT ALTER HYDROPHOBIC STABILIZATION
分子名称: T4 LYSOZYME
著者Wilson, K, Faber, R, Dao-Pin, S, Matthews, B.W.
登録日1989-05-01
公開日1990-01-15
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural studies of mutants of T4 lysozyme that alter hydrophobic stabilization.
J.Biol.Chem., 264, 1989
7V19
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BU of 7v19 by Molmil
Local refinement of Band 3-II transmembrane domains, class 1 of erythrocyte ankyrin-1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Band 3 anion transport protein, CHOLESTEROL, ...
著者Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B.
登録日2022-05-11
公開日2022-07-20
最終更新日2022-07-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Architecture of the human erythrocyte ankyrin-1 complex.
Nat.Struct.Mol.Biol., 29, 2022
6TOI
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BU of 6toi by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 11f
分子名称: 1,2-ETHANEDIOL, 2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Collie, G.W, Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6TOK
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BU of 6tok by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 23d
分子名称: 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
6TON
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BU of 6ton by Molmil
Crystal structure of human BCL6 BTB domain in complex with compound 25b
分子名称: 1,2-ETHANEDIOL, 5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one, ALA-TRP-VAL-ILE-PRO-ALA, ...
著者Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M.
登録日2019-12-11
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders.
J.Med.Chem., 63, 2020
5G64
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BU of 5g64 by Molmil
The complex between human IgE-Fc and two anti-IgE Fab fragments
分子名称: FAB FRAGMENT, IG EPSILON CHAIN C REGION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Davies, A.M, Allan, E.G, Keeble, A.H, Delgado, J, Cossins, B.P, Mitropoulou, A.N, Pang, M.O.Y, Ceska, T, Beavil, A.J, Craggs, G, Westwood, M, Henry, A.J, McDonnell, J.M, Sutton, B.J.
登録日2016-06-14
公開日2017-05-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.715 Å)
主引用文献Allosteric mechanism of action of the therapeutic anti-IgE antibody omalizumab.
J. Biol. Chem., 292, 2017
6CMJ
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BU of 6cmj by Molmil
Human CAMKK2 with GSK650393
分子名称: 1,2-ETHANEDIOL, 2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2, ...
著者Williams, S.P, Reid, R.A, Price, D.J, Drewry, D.H.
登録日2018-03-05
公開日2018-04-04
最終更新日2018-05-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献An orally available, brain-penetrant CAMKK2 inhibitor reduces food intake in rodent model.
Bioorg. Med. Chem. Lett., 28, 2018
4Z0K
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BU of 4z0k by Molmil
Rapid development of two Factor IXa inhibitors from Hit to Lead
分子名称: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Coagulation factor IX, ...
著者Hruza, A, Reichert, P.
登録日2015-03-26
公開日2015-05-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Rapid development of two factor IXa inhibitors from hit to lead.
Bioorg.Med.Chem.Lett., 25, 2015
6GJE
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BU of 6gje by Molmil
Structure of the Amnionless(20-357)-Cubilin(36-135) complex
分子名称: Cubilin, Protein amnionless
著者Larsen, C, Etzerodt, A, Madsen, M, Skjoedt, K, Moestrup, S.K, Andersen, C.B.F.
登録日2018-05-16
公開日2018-12-19
最終更新日2019-06-12
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural assembly of the megadalton-sized receptor for intestinal vitamin B12uptake and kidney protein reabsorption.
Nat Commun, 9, 2018

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