2VTE
 
 | | Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor | | 分子名称: | N-({7-[(4-cyanobenzyl)oxy]naphthalen-2-yl}sulfonyl)-D-glutamic acid, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE | | 著者 | Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S. | | 登録日 | 2008-05-14 | | 公開日 | 2008-11-25 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme.
J. Med. Chem., 51, 2008
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5MCT
 | | New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins (complex p53DBD-LHG1) | | 分子名称: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DNA, ... | | 著者 | Golovenko, D, Rozenberg, H, Shakked, Z. | | 登録日 | 2016-11-10 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.446 Å) | | 主引用文献 | New Insights into the Role of DNA Shape on Its Recognition by p53 Proteins.
Structure, 26, 2018
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7QIU
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8CU2
 | | Structure of a K+ selective NaK mutant (NaK2K, Laue diffraction) in the presence of an electric field of ~0.8MV/cm along the crystallographic z axis, 100ns, with eightfold extrapolation of structure factor differences | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein, ... | | 著者 | Lee, B, White, K.I, Socolich, M.A, Klureza, M.A, Henning, R, Srajer, V, Ranganathan, R, Hekstra, D. | | 登録日 | 2022-05-16 | | 公開日 | 2023-07-26 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Direct visualization of electric field-stimulated ion conduction in a potassium channel
To Be Published
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1X7A
 | | Porcine Factor IXa Complexed to 1-{3-[amino(imino)methyl]phenyl}-N-[4-(1H-benzimidazol-1-yl)-2-fluorophenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | | 分子名称: | 1-{3-[AMINO(IMINO)METHYL]PHENYL}-N-[4-(1H-BENZIMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, Coagulation Factor IX, light chain, ... | | 著者 | Alexander, R.S, Smallwood, A.M, Smallheer, J.M, Wang, J, Wang, S, Nakajima, S, Rossi, K.A, Barbera, F, Burdick, D, Luettgen, J.M. | | 登録日 | 2004-08-13 | | 公開日 | 2005-08-16 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa
Bioorg.Med.Chem.Lett., 14, 2004
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7QLE
 | | Crystal structure of S-layer protein SlpA from Lactobacillus acidophilus, domain I (aa 32-198) | | 分子名称: | S-layer protein | | 著者 | Sagmeister, T, Eder, M, Vejzovic, D, Dordic, A, Pavkov-Keller, T. | | 登録日 | 2021-12-20 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-06-26 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7QUX
 | | Crystal structure of P7C8 bound to CK2alpha | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CARBAMIC ACID, Casein kinase II subunit alpha, ... | | 著者 | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | | 登録日 | 2022-01-19 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Development of small cyclic peptides targeting the CK2 alpha / beta interface.
Chem.Commun.(Camb.), 58, 2022
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7QKA
 | | Crystal structure of SARS-CoV-2 Main Protease in complex with covalently bound GC376 | | 分子名称: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide | | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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7QIB
 | | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 8.5 in complex with UDP | | 分子名称: | CHLORIDE ION, Glucosyl-3-phosphoglycerate synthase, MAGNESIUM ION, ... | | 著者 | Silva, A, Nunes-Costa, D, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | | 登録日 | 2021-12-14 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 8.5 in complex with UDP
To Be Published
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6U3Y
 | | Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus | | 分子名称: | ACETATE ION, Gamma-hemolysin subunit A, Panton-Valentine Leucocidin F, ... | | 著者 | Liu, J, Kozhaya, L, Torres, V.J, Unutmaz, D, Lu, M. | | 登録日 | 2019-08-22 | | 公開日 | 2020-03-25 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.04 Å) | | 主引用文献 | Structure-based discovery of a small-molecule inhibitor of methicillin-resistantStaphylococcus aureusvirulence.
J.Biol.Chem., 295, 2020
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1XA3
 | | Crystal structure of CaiB, a type III CoA transferase in carnitine metabolism | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Crotonobetainyl-CoA:carnitine CoA-transferase, SULFATE ION | | 著者 | Stenmark, P, Gurmu, D, Nordlund, P, Structural Proteomics in Europe (SPINE) | | 登録日 | 2004-08-25 | | 公開日 | 2004-11-16 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Crystal Structure of CaiB, a Type-III CoA Transferase in Carnitine Metabolism
Biochemistry, 43, 2004
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6UKS
 | | ATPgammaS bound mBcs1 | | 分子名称: | MAGNESIUM ION, Mitochondrial chaperone BCS1, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | 著者 | Tang, W.K, Borgnia, M.J, Hsu, A.L, Xia, D. | | 登録日 | 2019-10-05 | | 公開日 | 2020-02-05 | | 最終更新日 | 2020-02-26 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Structures of AAA protein translocase Bcs1 suggest translocation mechanism of a folded protein.
Nat.Struct.Mol.Biol., 27, 2020
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7QKE
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclohexylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | | 著者 | Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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1XC5
 | | Solution Structure of the SMRT Deacetylase Activation Domain | | 分子名称: | Nuclear receptor corepressor 2 | | 著者 | Codina, A, Love, J.D, Li, Y, Lazar, M.A, Neuhaus, D, Schwabe, J.W.R. | | 登録日 | 2004-09-01 | | 公開日 | 2005-05-03 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural insights into the interaction and activation of histone deacetylase 3 by nuclear receptor corepressors
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1XD4
 | | Crystal structure of the DH-PH-cat module of Son of Sevenless (SOS) | | 分子名称: | Son of sevenless protein homolog 1 | | 著者 | Sondermann, H, Soisson, S.M, Boykevisch, S, Yang, S.S, Bar-Sagi, D, Kuriyan, J. | | 登録日 | 2004-09-03 | | 公開日 | 2004-11-02 | | 最終更新日 | 2023-08-23 | | 実験手法 | X-RAY DIFFRACTION (3.64 Å) | | 主引用文献 | Structural analysis of autoinhibition in the ras activator son of sevenless.
Cell(Cambridge,Mass.), 119, 2004
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8CRD
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7QKC
 | | Crystal structure of human Cathepsin L after incubation with Sulfo-Calpeptin | | 分子名称: | Calpeptin, Cathepsin L, DI(HYDROXYETHYL)ETHER | | 著者 | Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A. | | 登録日 | 2021-12-17 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | | 主引用文献 | Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
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7QNN
 | | Crystal structure of CYP125 from Mycobacterium tuberculosis in complex with inhibitor (surface entropy reduction mutant) | | 分子名称: | PROTOPORPHYRIN IX CONTAINING FE, Steroid C26-monooxygenase, ethyl 1-(cyclopentylmethyl)-5-pyridin-4-yl-indole-2-carboxylate | | 著者 | Snee, M, Tunnicliffe, R, Leys, D, Levy, C, Katariya, M. | | 登録日 | 2021-12-21 | | 公開日 | 2022-12-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Structure Based Discovery of Inhibitors of CYP125 and CYP142 from Mycobacterium tuberculosis.
Chemistry, 29, 2023
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6U07
 | | Computational Stabilization of T Cell Receptor Constant Domains | | 分子名称: | MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta) | | 著者 | Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J. | | 登録日 | 2019-08-13 | | 公開日 | 2020-04-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics.
Nat Commun, 11, 2020
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1XFJ
 | | Crystal structure of protein CC_0490 from Caulobacter crescentus, Pfam DUF152 | | 分子名称: | ACETATE ION, BETA-MERCAPTOETHANOL, GLYCEROL, ... | | 著者 | Krishnamurthy, N.R, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | 登録日 | 2004-09-14 | | 公開日 | 2004-09-21 | | 最終更新日 | 2021-02-03 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal structure of a conserved hypothetical protein from Caulobacter crescentus
To be Published
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7QNS
 | | Peptide VYEKKP in complex with human cathepsin V C25S mutant | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Cathepsin L2, ... | | 著者 | Loboda, J, Sosnowski, P, Tusar, L, Vidmar, R, Vizovisek, M, Horvat, J, Kosec, G, Impens, F, Demol, H, Turk, B, Gevaert, K, Turk, D. | | 登録日 | 2021-12-22 | | 公開日 | 2023-01-18 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Peptide VYEKKP in complex with human cathepsin V C25S mutant
To Be Published
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8A9O
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8AQ2
 | | In meso structure of the membrane integral lipoprotein N-acyltransferase Lnt from P. aeruginosa covalently linked with TITC | | 分子名称: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apolipoprotein N-acyltransferase, CITRATE ANION, ... | | 著者 | Huang, C.-Y, Weichert, D, Boland, C, Smithers, L, Olieric, V, Wang, M, Caffrey, M. | | 登録日 | 2022-08-11 | | 公開日 | 2023-07-12 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Structure snapshots reveal the mechanism of a bacterial membrane lipoprotein N -acyltransferase.
Sci Adv, 9, 2023
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2WCZ
 | | 1.6A resolution structure of Archaeoglobus fulgidus Hjc, a Holliday junction resolvase from an archaeal hyperthermophile | | 分子名称: | CHLORIDE ION, HOLLIDAY JUNCTION RESOLVASE | | 著者 | Carolis, C, Koehler, C, Sauter, C, Basquin, J, Suck, D, Toeroe, I. | | 登録日 | 2009-03-18 | | 公開日 | 2009-03-24 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | 1.6 A Resolution Structure of Archaeoglobus Fulgidus Hjc, a Holliday Junction Resolvase from an Archaeal Hyperthermophile
To be Published
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1XI6
 | | Extragenic suppressor from Pyrococcus furiosus Pfu-1862794-001 | | 分子名称: | extragenic suppressor | | 著者 | Zhao, M, Chang, J.C, Zhou, W, Chen, L, Horanyi, P, Xu, H, Yang, H, Liu, Z.-J, Habel, J.E, Lee, D, Chang, S.-H, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | | 登録日 | 2004-09-21 | | 公開日 | 2004-11-30 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Extragenic suppressor from Pyrococcus furiosus Pfu-1862794-001
To be published
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