7RCZ
 
 | | Crystal structure of C. difficile SpoVD in complex with ampicillin | | 分子名称: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2021-07-08 | | 公開日 | 2022-03-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022
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7RCY
 | | Crystal structure of C. difficile penicillin-binding protein 2 in complex with ceftobiprole | | 分子名称: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Penicillin-binding protein, ZINC ION | | 著者 | Sacco, M, Chen, Y. | | 登録日 | 2021-07-08 | | 公開日 | 2022-03-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (3 Å) | | 主引用文献 | A unique class of Zn 2+ -binding serine-based PBPs underlies cephalosporin resistance and sporogenesis in Clostridioides difficile.
Nat Commun, 13, 2022
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7DJT
 | | Human SARM1 inhibitory state bounded with inhibitor dHNN | | 分子名称: | NAD(+) hydrolase SARM1, O3-methyl O5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate | | 著者 | Cai, Y, Zhang, H. | | 登録日 | 2020-11-21 | | 公開日 | 2021-05-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | ELECTRON MICROSCOPY (2.8 Å) | | 主引用文献 | Permeant fluorescent probes visualize the activation of SARM1 and uncover an anti-neurodegenerative drug candidate.
Elife, 10, 2021
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5WKE
 | | Crystal Structure of Human CD1b in Complex with PS | | 分子名称: | (19S,22S,25R)-25-amino-22-hydroxy-16,22,26-trioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9Z)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Shahine, A, Gras, S, Rossjohn, J. | | 登録日 | 2017-07-25 | | 公開日 | 2017-11-01 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
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6PBO
 | | Staphylococcus aureus Dihydrofolate reductase in complex with NADPH and UCP1232 | | 分子名称: | (4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}phenyl)acetic acid, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | 著者 | Reeve, S.M, Wright, D.L. | | 登録日 | 2019-06-14 | | 公開日 | 2019-10-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.649 Å) | | 主引用文献 | Toward Broad Spectrum Dihydrofolate Reductase Inhibitors Targeting Trimethoprim Resistant Enzymes Identified in Clinical Isolates of Methicillin ResistantStaphylococcus aureus.
Acs Infect Dis., 5, 2019
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6P9Z
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3LPD
 | | Crystal structure of a subtilisin-like protease | | 分子名称: | Acidic extracellular subtilisin-like protease AprV2, CALCIUM ION | | 著者 | Porter, C.J, Wong, W, Whisstock, J.C, Rood, J.I, Kennan, R.M. | | 登録日 | 2010-02-05 | | 公開日 | 2010-12-08 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | The Subtilisin-Like Protease AprV2 Is Required for Virulence and Uses a Novel Disulphide-Tethered Exosite to Bind Substrates
Plos Pathog., 6, 2010
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6DUK
 | | EGFR with an allosteric inhibitor | | 分子名称: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, MAGNESIUM ION, ... | | 著者 | Park, E, Eck, M.J. | | 登録日 | 2018-06-21 | | 公開日 | 2019-06-05 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Single and Dual Targeting of Mutant EGFR with an Allosteric Inhibitor.
Cancer Discov, 9, 2019
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6DPY
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6LR3
 | | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum | | 分子名称: | Macrophage migration inhibitory factor, SULFATE ION | | 著者 | Su, Z.M, Tian, X.Y, Li, H.J, Wei, Z.M, Chen, L.F, Ren, H.X, Peng, W.F, Tang, C.T. | | 登録日 | 2020-01-15 | | 公開日 | 2020-07-22 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Structural and functional insights into macrophage migration inhibitory factor from Oncomelania hupensis, the intermediate host of Schistosoma japonicum.
Biochem.J., 477, 2020
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5VTM
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2G01
 | | Pyrazoloquinolones as Novel, Selective JNK1 inhibitors | | 分子名称: | 6-CHLORO-9-HYDROXY-1,3-DIMETHYL-1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-4-ONE, C-jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 8, ... | | 著者 | Abad-Zapatero, C. | | 登録日 | 2006-02-10 | | 公開日 | 2006-04-18 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (3.5 Å) | | 主引用文献 | Synthesis and SAR of 1,9-dihydro-9-hydroxypyrazolo[3,4-b]quinolin-4-ones as novel, selective c-Jun N-terminal kinase inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
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2G38
 | | A PE/PPE Protein Complex from Mycobacterium tuberculosis | | 分子名称: | MANGANESE (II) ION, PE FAMILY PROTEIN, PPE FAMILY PROTEIN | | 著者 | Strong, M, Sawaya, M.R, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | 登録日 | 2006-02-17 | | 公開日 | 2006-03-14 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Toward the structural genomics of complexes: Crystal structure of a PE/PPE protein complex from Mycobacterium tuberculosis.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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5UOX
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5UOR
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5UP3
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4G80
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6LCY
 | | Crystal structure of Synaptotagmin-7 C2B in complex with IP6 | | 分子名称: | INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-7 | | 著者 | Zhang, Y, Zhang, X, Rao, F, Wang, C. | | 登録日 | 2019-11-20 | | 公開日 | 2021-03-03 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.301 Å) | | 主引用文献 | 5-IP 7 is a GPCR messenger mediating neural control of synaptotagmin-dependent insulin exocytosis and glucose homeostasis.
Nat Metab, 3, 2021
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2V22
 | | REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors | | 分子名称: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOL-3-YL]CARBONYL}-N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL-L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L-PHENYLALANINAMIDE | | 著者 | Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M. | | 登録日 | 2007-05-31 | | 公開日 | 2008-01-29 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
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7P6T
 | | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form III) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | | 著者 | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | | 登録日 | 2021-07-17 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
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7P6S
 | | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II) | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2, pentane-1,5-diol | | 著者 | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | | 登録日 | 2021-07-17 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
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7P6R
 | | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form I) | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | | 著者 | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | | 登録日 | 2021-07-17 | | 公開日 | 2022-03-16 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
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2UUE
 | | REPLACE: A strategy for Iterative Design of Cyclin Binding Groove Inhibitors | | 分子名称: | 1-(3,5-DICHLOROPHENYL)-5-METHYL-1H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID, 4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE, CELL DIVISION PROTEIN KINASE 2, ... | | 著者 | Andrews, M.J, Kontopidis, G, McInnes, C, Plater, A, Innes, L, Cowan, A, Jewsbury, P, Fischer, P.M. | | 登録日 | 2007-03-02 | | 公開日 | 2007-03-27 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Replace: A Strategy for Iterative Design of Cyclin- Binding Groove Inhibitors
Chembiochem, 7, 2006
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6XCJ
 | | Crystal Structure of DH650 Fab from a Rhesus Macaque in Complex with HIV-1 gp120 Core | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DH650 Fab Heavy Chain, DH650 Fab Light Chain, ... | | 著者 | Raymond, D.D, Chug, H, Harrison, S.C. | | 登録日 | 2020-06-08 | | 公開日 | 2020-12-02 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Recapitulation of HIV-1 Env-antibody coevolution in macaques leading to neutralization breadth.
Science, 371, 2021
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6LF6
 | | Crystal structure of ZmCGTa in complex with UDP | | 分子名称: | UDP-glycosyltransferase 708A6, URIDINE-5'-DIPHOSPHATE | | 著者 | Gao, H.M, Yun, C.H. | | 登録日 | 2019-11-29 | | 公開日 | 2020-11-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.044 Å) | | 主引用文献 | Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
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