6EYI
 
 | | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand BW69669 | | 分子名称: | (2~{R})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R})-2-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxycyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | | 登録日 | 2017-11-13 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | E-selectin lectin with different glycomimetic ligands
To Be Published
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6FDF
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6EYK
 | | E-selectin lectin, EGF-like and two SCR domains complexed with glycomimetic ligand NV355 | | 分子名称: | (2~{S})-3-cyclohexyl-2-[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[(1~{R},2~{R},3~{S})-3-methyl-2-[(2~{R},3~{S},4~{R},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(trifluoromethyl)oxan-2-yl]oxy-cyclohexyl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Jakob, R.P, Zihlmann, P, Preston, R.C, Varga, N, Ernst, B, Maier, T. | | 登録日 | 2017-11-13 | | 公開日 | 2018-11-21 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | E-selectin lectin with different glycomimetic ligands
To Be Published
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5MUC
 | | Crystal structure of the FimH lectin domain in complex with 1,5-Anhydromannitol | | 分子名称: | 1-deoxy-alpha-D-mannopyranose, Protein FimH | | 著者 | Jakob, R.P, Rabbani, S, Ernst, B, Maier, T. | | 登録日 | 2017-01-13 | | 公開日 | 2018-02-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | KinITC-One Method Supports both Thermodynamic and Kinetic SARs as Exemplified on FimH Antagonists.
Chemistry, 24, 2018
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3JZF
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7O0W
 | | Cryo-EM structure of the RC-dLH complex (model_1b) from Gemmatimonas phototrophica at 2.47 A | | 分子名称: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | | 著者 | Qian, P, Koblizek, M. | | 登録日 | 2021-03-27 | | 公開日 | 2022-03-02 | | 最終更新日 | 2022-03-16 | | 実験手法 | ELECTRON MICROSCOPY (2.47 Å) | | 主引用文献 | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem.
Sci Adv, 8, 2022
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7O0X
 | | Cryo-EM structure (model_2b) of the RC-dLH complex from Gemmatimonas phototrophica at 2.44 A | | 分子名称: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | | 著者 | Qian, P, Koblizek, M. | | 登録日 | 2021-03-28 | | 公開日 | 2022-03-02 | | 最終更新日 | 2022-03-16 | | 実験手法 | ELECTRON MICROSCOPY (2.44 Å) | | 主引用文献 | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem.
Sci Adv, 8, 2022
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7O0U
 | | Cryo-EM structure (model_1a) of the RC-dLH complex from Gemmatimonas phototrophica at 2.4 A | | 分子名称: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | | 著者 | Qian, P, Koblizek, M. | | 登録日 | 2021-03-27 | | 公開日 | 2022-03-02 | | 最終更新日 | 2022-03-16 | | 実験手法 | ELECTRON MICROSCOPY (2.35 Å) | | 主引用文献 | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem.
Sci Adv, 8, 2022
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7O0V
 | | Cryo-EM structure (model_2a) of the RC-dLH complex from Gemmatimonas phototrophica at 2.5 A | | 分子名称: | (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate, (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, ... | | 著者 | Qian, P, Koblizek, M. | | 登録日 | 2021-03-27 | | 公開日 | 2022-03-02 | | 最終更新日 | 2022-03-16 | | 実験手法 | ELECTRON MICROSCOPY (2.5 Å) | | 主引用文献 | 2.4- angstrom structure of the double-ring Gemmatimonas phototrophica photosystem.
Sci Adv, 8, 2022
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7NRJ
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7O5T
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7O5N
 | | Crystal Structure of a Class D carbapenemase complexed with Avibactam | | 分子名称: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1-BUTANOL, Beta-lactamase, ... | | 著者 | Zhou, Q, Zhang, Z, He, Y, Jin, Y. | | 登録日 | 2021-04-09 | | 公開日 | 2022-04-20 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
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7O9N
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8AAK
 | | Crystal structure of the PDZ tandem of syntenin in complex with compound 29 | | 分子名称: | (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid, GLYCEROL, Syntenin-1 | | 著者 | Feracci, M, Barral, K. | | 登録日 | 2022-07-01 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.554 Å) | | 主引用文献 | Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
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8AAP
 | | Crystal structure of the PDZ tandem of syntenin in complex with compound SYNTi | | 分子名称: | (2S)-2-[[(2S)-2-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid, Syntenin-1 | | 著者 | Feracci, M, Barral, K. | | 登録日 | 2022-07-01 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.174 Å) | | 主引用文献 | Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
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8AAO
 | | Crystal structure of the PDZ tandem of syntenin in complex with compound 95 | | 分子名称: | (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid, Syntenin-1 | | 著者 | Feracci, M, Barral, K. | | 登録日 | 2022-07-01 | | 公開日 | 2023-04-26 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.469 Å) | | 主引用文献 | Discovery of a PDZ Domain Inhibitor Targeting the Syndecan/Syntenin Protein-Protein Interaction: A Semi-Automated "Hit Identification-to-Optimization" Approach.
J.Med.Chem., 66, 2023
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8AAI
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8AVT
 | | Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the presence of glycerol 3-phosphate | | 分子名称: | 1,2-ETHANEDIOL, Bacteriocin aureocin A53, D-Aureocin A53, ... | | 著者 | Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P. | | 登録日 | 2022-08-26 | | 公開日 | 2023-07-26 | | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | | 主引用文献 | Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
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8AVR
 | | Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the presence of sulfate | | 分子名称: | 1,2-ETHANEDIOL, Bacteriocin aureocin A53, D-Aureocin A53, ... | | 著者 | Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P. | | 登録日 | 2022-08-26 | | 公開日 | 2023-07-26 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
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8AVU
 | | Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the dimeric state | | 分子名称: | 1,2-ETHANEDIOL, Bacteriocin aureocin A53, D-Aureocin A53, ... | | 著者 | Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P. | | 登録日 | 2022-08-26 | | 公開日 | 2023-07-26 | | 実験手法 | X-RAY DIFFRACTION (0.89 Å) | | 主引用文献 | Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
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8AVS
 | | Racemic protein crystal structure of aureocin A53 from Staphylococcus aureus in the presence of citrate and acetate | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, Bacteriocin aureocin A53, ... | | 著者 | Lander, A.J, Baumann, P, Rizkallah, P, Jin, Y, Luk, L.Y.P. | | 登録日 | 2022-08-26 | | 公開日 | 2023-07-26 | | 実験手法 | X-RAY DIFFRACTION (1.21 Å) | | 主引用文献 | Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography.
Commun Chem, 6, 2023
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6Y7S
 | | 2.85 A cryo-EM structure of the in vivo assembled type 1 pilus rod | | 分子名称: | Type-1 fimbrial protein, A chain | | 著者 | Zyla, D, Hospenthal, M, Waksman, G, Glockshuber, R. | | 登録日 | 2020-03-02 | | 公開日 | 2021-03-31 | | 最終更新日 | 2024-04-17 | | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | | 主引用文献 | The assembly platform FimD is required to obtain the most stable quaternary structure of type 1 pili.
Nat Commun, 15, 2024
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1DY6
 | | Structure of the imipenem-hydrolyzing beta-lactamase SME-1 | | 分子名称: | CARBAPENEM-HYDROLYSING BETA-LACTAMASE SME-1 | | 著者 | Sougakoff, W, L'Hermite, G, Billy, I, Guillet, V, Naas, T, Nordman, P, Jarlier, V, Delettre, J. | | 登録日 | 2000-01-27 | | 公開日 | 2001-01-26 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.13 Å) | | 主引用文献 | Structure of the Imipenem-Hydrolyzing Class a Beta-Lactamase Sme-1 from Serratia Marcescens.
Acta Crystallogr.,Sect.D, 58, 2002
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1QJU
 | | HUMAN RHINOVIRUS 16 COAT PROTEIN IN COMPLEX WITH ANTIVIRAL COMPOUND VP61209 | | 分子名称: | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL, MYRISTIC ACID, PROTEIN VP1, ... | | 著者 | Hadfield, A.T, Minor, I, Diana, G.D, Rossmann, M.G. | | 登録日 | 1999-07-05 | | 公開日 | 1999-07-20 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Analysis of Three Structurally Related Antiviral Compounds in Complex with Human Rhinovirus 16
Proc.Natl.Acad.Sci.USA, 96, 1999
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5AH2
 | | The sliding clamp of Mycobacterium smegmatis in complex with a natural product. | | 分子名称: | DNA POLYMERASE III SUBUNIT BETA, GRISELIMYCIN, SODIUM ION | | 著者 | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | | 登録日 | 2015-02-04 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.129 Å) | | 主引用文献 | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
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