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5NEK
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BU of 5nek by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with acetazolamide
分子名称: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ACETATE ION, Peptidoglycan N-acetylglucosamine deacetylase, ...
著者Andreou, A, Giastas, P, Eliopoulos, E.E.
登録日2017-03-10
公開日2018-02-21
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (3.057 Å)
主引用文献Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
5NC9
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BU of 5nc9 by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (2S)-2,6-diamino-N-hydroxyhexanamide
分子名称: (2~{S})-2,6-bis(azanyl)-~{N}-oxidanyl-hexanamide, 1,2-ETHANEDIOL, CITRIC ACID, ...
著者Giastas, P, Andreou, A, Eliopoulos, E.E.
登録日2017-03-03
公開日2018-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
5HCV
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BU of 5hcv by Molmil
Identification of Spirooxindole and Dibenzoxazepine Motifs as Potent Mineralocorticoid Receptor Antagonists
分子名称: 6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one, CHLORIDE ION, Mineralocorticoid receptor
著者Chen, G, McKeever, B.M.
登録日2016-01-04
公開日2016-03-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Identification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists.
Bioorg.Med.Chem., 24, 2016
5NCD
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BU of 5ncd by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with (2S)-2-amino-5-(diaminomethylideneamino)-N-hydroxypentanamide
分子名称: ACETATE ION, CITRIC ACID, N-HYDROXY-L-ARGININAMIDE, ...
著者Giastas, P, Andreou, A, Eliopoulos, E.E.
登録日2017-03-03
公開日2018-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.447 Å)
主引用文献Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
5NEL
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BU of 5nel by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with ThiametG
分子名称: (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, 1,2-ETHANEDIOL, ACETATE ION, ...
著者Andreou, A, Giastas, P, Eliopoulos, E.E.
登録日2017-03-10
公開日2018-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.734 Å)
主引用文献Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
4JPJ
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BU of 4jpj by Molmil
Crystal structure of the germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Germline-targeting HIV-1 gp120 engineered outer domain, eOD-GT6
著者Julien, J.-P, Jardine, J, Schief, W.R, Wilson, I.A.
登録日2013-03-19
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Rational HIV immunogen design to target specific germline B cell receptors.
Science, 340, 2013
5N1P
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BU of 5n1p by Molmil
Crystal structure of the polysaccharide deacetylase Bc1974 from Bacillus cereus in complex with N-hydroxynaphthalene-1-carboxamide
分子名称: 1,2-ETHANEDIOL, Peptidoglycan N-acetylglucosamine deacetylase, SODIUM ION, ...
著者Giastas, P, Andreou, A, Eliopoulos, E.E.
登録日2017-02-06
公開日2018-02-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.448 Å)
主引用文献Structures of the Peptidoglycan N-Acetylglucosamine Deacetylase Bc1974 and Its Complexes with Zinc Metalloenzyme Inhibitors.
Biochemistry, 57, 2018
1W3Y
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BU of 1w3y by Molmil
Crystal structure of S. pneumoniae hyaluronate lyase in complex with palmitoyl-vitamin C
分子名称: (2E,4R,5S)-2,3,4,5-TETRAHYDROXY-6-(PALMITOYLOXY)HEX-2-ENOIC ACID, HYALURONATE LYASE, SULFATE ION, ...
著者Rigden, D.J, Jedrzejas, M.J.
登録日2004-07-21
公開日2004-08-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献L-Ascorbic Acid 6-Hexadecanoate, a Potent Hyaluronidase Inhibitor: X-Ray Structure and Molecular Modeling of Enzyme-Inhibitor Complexes
J.Biol.Chem., 279, 2004
6RCJ
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BU of 6rcj by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OMe
分子名称: GLYCEROL, NITRATE ION, Protein enabled homolog, ...
著者Barone, M, Roske, Y.
登録日2019-04-11
公開日2020-05-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RD2
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BU of 6rd2 by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-TEDEL-NH2
分子名称: (3~{S},7~{R},10~{R},13~{S})-4-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, GLYCEROL, NITRATE ION, ...
著者Barone, M, Roske, Y.
登録日2019-04-12
公開日2020-05-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
6RCF
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BU of 6rcf by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OH
分子名称: 2-[(3~{a}~{R},6~{R},8~{a}~{S})-1-[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonyl-6-ethyl-8-oxidanylidene-3,3~{a},6,8~{a}-tetrahydro-2~{H}-pyrrolo[2,3-c]azepin-7-yl]ethanoic acid, NITRATE ION, Protein enabled homolog
著者Barone, M, Roske, Y.
登録日2019-04-11
公開日2020-05-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5I4V
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BU of 5i4v by Molmil
Discovery of novel, orally efficacious Liver X Receptor (LXR) beta agonists
分子名称: Oxysterols receptor LXR-beta,Nuclear receptor coactivator 2, Retinoic acid receptor RXR-beta,Nuclear receptor coactivator 2, {2-[(2R)-4-[4-(hydroxymethyl)-3-(methylsulfonyl)phenyl]-2-(propan-2-yl)piperazin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanol
著者Chen, G, McKeever, B.M.
登録日2016-02-12
公開日2016-06-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.61 Å)
主引用文献Discovery of a Novel, Orally Efficacious Liver X Receptor (LXR) beta Agonist.
J.Med.Chem., 59, 2016
4K7F
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BU of 4k7f by Molmil
Newly identified epitope V60 from HBV core protein complexed with HLA-A*0201
分子名称: Beta-2-microglobulin, Core protein, HLA class I histocompatibility antigen, ...
著者Meng, S.D, Zhang, Y, Wu, Y, Qi, J.X.
登録日2013-04-17
公開日2013-06-05
最終更新日2022-08-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The L60V variation in hepatitis B virus core protein elicits new epitope-specific cytotoxic T lymphocytes and enhances viral replication.
J.Virol., 87, 2013
6VWY
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BU of 6vwy by Molmil
Crystal structure of C45G/T50C D. vulgaris carbon monoxide dehydrogenase (anaerobic)
分子名称: Carbon monoxide dehydrogenase, FE(4)-NI(1)-S(4) CLUSTER, Fe(4)-Ni(1)-S(4) cluster, ...
著者Wittenborn, E.C, Drennan, C.L.
登録日2020-02-20
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献The Solvent-Exposed Fe-S D-Cluster Contributes to Oxygen-Resistance inDesulfovibrio vulgarisNi-Fe Carbon Monoxide Dehydrogenase.
Acs Catalysis, 10, 2020
6VX1
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BU of 6vx1 by Molmil
Crystal structure of air-exposed C45G/T50C D. vulgaris carbon monoxide dehydrogenase (2 day air exposure)
分子名称: Carbon monoxide dehydrogenase, Fe(4)-Ni(1)-S(4) cluster, oxidized, ...
著者Wittenborn, E.C, Drennan, C.L.
登録日2020-02-20
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献The Solvent-Exposed Fe-S D-Cluster Contributes to Oxygen-Resistance inDesulfovibrio vulgarisNi-Fe Carbon Monoxide Dehydrogenase.
Acs Catalysis, 10, 2020
6WM9
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BU of 6wm9 by Molmil
Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to human monoclonal antibody 237235
分子名称: 237235 Fab heavy chain, 237235 Fab light chain, Reticulocyte binding protein 2b
著者Chan, L.J, Dietrich, M.H, Tham, W.H.
登録日2020-04-20
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Naturally acquired blocking human monoclonal antibodies to Plasmodium vivax reticulocyte binding protein 2b.
Nat Commun, 12, 2021
6VX0
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BU of 6vx0 by Molmil
Crystal structure of air-exposed C45G/T50C D. vulgaris carbon monoxide dehydrogenase (2 hour air exposure)
分子名称: Carbon monoxide dehydrogenase, Fe(4)-Ni(1)-S(4) cluster, oxidized, ...
著者Wittenborn, E.C, Drennan, C.L.
登録日2020-02-20
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献The Solvent-Exposed Fe-S D-Cluster Contributes to Oxygen-Resistance inDesulfovibrio vulgarisNi-Fe Carbon Monoxide Dehydrogenase.
Acs Catalysis, 10, 2020
6VWZ
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BU of 6vwz by Molmil
Crystal structure of air-exposed C45G/T50C D. vulgaris carbon monoxide dehydrogenase (20 minute air exposure)
分子名称: Carbon monoxide dehydrogenase, Fe(4)-Ni(1)-S(4) cluster, oxidized, ...
著者Wittenborn, E.C, Drennan, C.L.
登録日2020-02-20
公開日2020-07-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.488 Å)
主引用文献The Solvent-Exposed Fe-S D-Cluster Contributes to Oxygen-Resistance inDesulfovibrio vulgarisNi-Fe Carbon Monoxide Dehydrogenase.
Acs Catalysis, 10, 2020
6WTU
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BU of 6wtu by Molmil
Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to human monoclonal antibody 273264
分子名称: 273264 Fab heavy chain, 273264 Fab light chain, reticulocyte binding protein 2b
著者Chan, L.J, Dietrich, M.H, Tham, W.H.
登録日2020-05-04
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Naturally acquired blocking human monoclonal antibodies to Plasmodium vivax reticulocyte binding protein 2b.
Nat Commun, 12, 2021
6WN1
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BU of 6wn1 by Molmil
Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to human monoclonal antibody 241242
分子名称: 241242 Fab heavy chain, 241242 Fab light chain, Reticulocyte binding protein 2b
著者Chan, L.J, Dietrich, M.H, Tham, W.H.
登録日2020-04-22
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Naturally acquired blocking human monoclonal antibodies to Plasmodium vivax reticulocyte binding protein 2b.
Nat Commun, 12, 2021
7TSJ
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BU of 7tsj by Molmil
Xenon-bound structure of carbon monoxide dehydrogenase (CODH) from Desulfovibrio vulgaris
分子名称: Carbon monoxide dehydrogenase, FE2/S2 (INORGANIC) CLUSTER, Fe(4)-Ni(1)-S(4) cluster, ...
著者Biester, A, Drennan, C.L.
登録日2022-01-31
公開日2022-05-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Visualizing the gas channel of a monofunctional carbon monoxide dehydrogenase.
J.Inorg.Biochem., 230, 2022
6WNO
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BU of 6wno by Molmil
Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to human monoclonal antibody 243244
分子名称: 243244 Fab heavy chain, 243244 Fab light chain, Plasmodium vivax reticulocyte binding protein 2b
著者Chan, L.J, Dietrich, M.H, Tham, W.H.
登録日2020-04-23
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Naturally acquired blocking human monoclonal antibodies to Plasmodium vivax reticulocyte binding protein 2b.
Nat Commun, 12, 2021
6WOZ
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BU of 6woz by Molmil
Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to human monoclonal antibody 251249
分子名称: 251249 Fab heavy chain, 251249 Fab light chain, reticulocyte binding protein 2b
著者Chan, L.J, Dietrich, M.H, Tham, W.H.
登録日2020-04-26
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Naturally acquired blocking human monoclonal antibodies to Plasmodium vivax reticulocyte binding protein 2b.
Nat Commun, 12, 2021
6WTY
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BU of 6wty by Molmil
Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to human monoclonal antibody 253245
分子名称: 253245 Fab heavy chain, 253245 Fab light chain, reticulocyte binding protein 2b
著者Chan, L.J, Dietrich, M.H, Tham, W.H.
登録日2020-05-04
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.481 Å)
主引用文献Naturally acquired blocking human monoclonal antibodies to Plasmodium vivax reticulocyte binding protein 2b.
Nat Commun, 12, 2021
6WTV
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BU of 6wtv by Molmil
Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to human monoclonal antibody 258259
分子名称: 258259 Fab heavy chain, 258259 Fab light chain, reticulocyte binding protein 2b
著者Chan, L.J, Dietrich, M.H, Tham, W.H.
登録日2020-05-04
公開日2021-01-27
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Naturally acquired blocking human monoclonal antibodies to Plasmodium vivax reticulocyte binding protein 2b.
Nat Commun, 12, 2021

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