3MME
 
 | | Structure and functional dissection of PG16, an antibody with broad and potent neutralization of HIV-1 | | 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, PG16 HEAVY CHAIN FAB, ... | | 著者 | Pancera, M, McLellan, J, Zhou, T, Zhu, J, Kwong, P. | | 登録日 | 2010-04-19 | | 公開日 | 2010-06-09 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (3.97 Å) | | 主引用文献 | Crystal structure of PG16 and chimeric dissection with somatically related PG9: structure-function analysis of two quaternary-specific antibodies that effectively neutralize HIV-1.
J.Virol., 84, 2010
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3QFQ
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2QT0
 | | Human nicotinamide riboside kinase 1 in complex with nicotinamide riboside and an ATP analogue | | 分子名称: | MAGNESIUM ION, Nicotinamide riboside, Nicotinamide riboside kinase 1, ... | | 著者 | Rabeh, W.M, Tempel, W, Nedyalkova, L, Landry, R, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Brenner, C, Park, H, Structural Genomics Consortium (SGC) | | 登録日 | 2007-07-31 | | 公開日 | 2007-08-14 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Nicotinamide Riboside Kinase Structures Reveal New Pathways to NAD(+).
Plos Biol., 5, 2007
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2OW6
 | | Golgi alpha-mannosidase II complex with (1r,5s,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-5,7,8-triol chloride | | 分子名称: | (1R,5S,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-5,7,8-TRIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Kuntz, D.A. | | 登録日 | 2007-02-15 | | 公開日 | 2008-01-08 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Binding of sulfonium-ion analogues of di-epi-swainsonine and 8-epi-lentiginosine to Drosophila Golgi alpha-mannosidase II: The role of water in inhibitor binding.
Proteins, 71, 2008
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7BY6
 | | Plasmodium vivax cytoplasmic Phenylalanyl-tRNA synthetase in complex with BRD1389 | | 分子名称: | (3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide, MAGNESIUM ION, Phenylalanyl-tRNA synthetase beta chain, ... | | 著者 | Malhotra, N, Manmohan, S, Harlos, K, Melillo, B, Schreiber, S.L, Manickam, Y, Sharma, S. | | 登録日 | 2020-04-21 | | 公開日 | 2020-11-04 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.997 Å) | | 主引用文献 | Structural basis of malaria parasite phenylalanine tRNA-synthetase inhibition by bicyclic azetidines.
Nat Commun, 12, 2021
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7BRU
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7BTY
 | | The mitochondrial SAM-Mdm10 supercomplex in Nanodisc from S.cere | | 分子名称: | MDM10 isoform 1, Mitochondrial outer membrane beta-barrel protein, Sorting assembly machinery 35 kDa subunit, ... | | 著者 | Takeda, H, Tsutsumi, A, Nishizawa, T, Nureki, O, Kikkawa, M, Endo, T. | | 登録日 | 2020-04-03 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Mitochondrial sorting and assembly machinery operates by beta-barrel switching.
Nature, 590, 2021
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7BTX
 | | The mitochondrial SAM-Mdm10 supercomplex in GDN micelle from S.cere | | 分子名称: | MDM10 isoform 1, Mitochondrial outer membrane beta-barrel protein, Sorting assembly machinery 35 kDa subunit, ... | | 著者 | Takeda, H, Tsutsumi, A, Nishizawa, T, Nureki, O, Kikkawa, M, Endo, T. | | 登録日 | 2020-04-03 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Mitochondrial sorting and assembly machinery operates by beta-barrel switching.
Nature, 590, 2021
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4E9D
 | | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide | | 分子名称: | 3-(1-benzothiophen-2-yl)propanoyl-derivatized DPPLHSpTA peptide, GLYCEROL, Serine/threonine-protein kinase PLK1 | | 著者 | Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C. | | 登録日 | 2012-03-21 | | 公開日 | 2012-10-10 | | 最終更新日 | 2012-12-12 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | High-throughput interrogation of ligand binding mode using a fluorescence-based assay.
Angew.Chem.Int.Ed.Engl., 51, 2012
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4EMA
 | | Human peroxisome proliferator-activated receptor gamma in complex with rosiglitazone | | 分子名称: | 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), Peroxisome proliferator-activated receptor gamma | | 著者 | Liberato, M.V, Nascimento, A.S, Polikarpov, I. | | 登録日 | 2012-04-11 | | 公開日 | 2013-03-06 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.545 Å) | | 主引用文献 | Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists
Plos One, 7, 2012
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4ENY
 | | Crystal Structure of Pim-1 kinase in complex with (2E,5Z)-2-(2-chlorophenylimino)-5-(4-hydroxy-3-methoxybenzylidene)thiazolidin-4-one | | 分子名称: | (2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | | 著者 | Parker, L.J, Handa, N, Yokoyama, S. | | 登録日 | 2012-04-13 | | 公開日 | 2012-08-08 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.801 Å) | | 主引用文献 | Flexibility of the P-loop of Pim-1 kinase: observation of a novel conformation induced by interaction with an inhibitor
Acta Crystallogr.,Sect.F, 68, 2012
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4E9C
 | | The structure of the polo-box domain (PBD) of polo-like kinase 1 (Plk1) in complex with LDPPLHSpTA phosphopeptide | | 分子名称: | 2-(2-METHOXYETHOXY)ETHANOL, GLYCEROL, LDPPLHSpTA phosphopeptide, ... | | 著者 | Sledz, P, Hyvonen, M, Lang, S, Stubbs, C.J, Abell, C. | | 登録日 | 2012-03-21 | | 公開日 | 2012-10-10 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | High-throughput interrogation of ligand binding mode using a fluorescence-based assay.
Angew. Chem. Int. Ed. Engl., 51, 2012
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7CID
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | 1-[3-(4-chlorophenyl)propyl]imidazole, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CI4
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CIC
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7C3N
 | | Crystal structure of JAK3 in complex with Delgocitinib | | 分子名称: | 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3 | | 著者 | Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T. | | 登録日 | 2020-05-13 | | 公開日 | 2020-06-24 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders.
J.Med.Chem., 63, 2020
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7CI9
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | 1,2-ETHANEDIOL, 2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol, PHOSPHATE ION, ... | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CI5
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | (3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CN0
 | | Cryo-EM structure of K+-bound hERG channel | | 分子名称: | POTASSIUM ION, potassium channel 1 | | 著者 | Asai, T, Adachi, N, Moriya, T, Kawasaki, M, Suzuki, K, Senda, T, Murata, T. | | 登録日 | 2020-07-29 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Cryo-EM Structure of K + -Bound hERG Channel Complexed with the Blocker Astemizole.
Structure, 29, 2021
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4EM9
 | | Human PPAR gamma in complex with nonanoic acids | | 分子名称: | 3,3',3''-phosphanetriyltripropanoic acid, GLYCEROL, Peroxisome proliferator-activated receptor gamma, ... | | 著者 | Liberato, M.V, Nascimento, A.S, Polikarpov, I. | | 登録日 | 2012-04-11 | | 公開日 | 2013-03-06 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) Gamma activators and pan-PPAR partial agonists
Plos One, 7, 2012
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7CWB
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7CIB
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | 2-oxidanyl-4-phenyl-benzoic acid, DIMETHYL SULFOXIDE, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Baker, L.M, Mima, M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CWC
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7CI7
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | (2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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7CI8
 | | Crystal structure of P.aeruginosa LpxC in complex with inhibitor | | 分子名称: | (1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol, MAGNESIUM ION, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ... | | 著者 | Mima, M, Baker, L.M, Surgenor, A, Robertson, A. | | 登録日 | 2020-07-07 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
J.Med.Chem., 63, 2020
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