8JEY
 
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9AYA
 | | Crystal structure of CRAF/MEK complex with NST-628 and active RAF dimer | | 分子名称: | Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, N-[3-fluoro-4-({7-[(3-fluoropyridin-2-yl)oxy]-4-methyl-2-oxo-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N'-methylsulfuric diamide, ... | | 著者 | Quade, B, Huang, X. | | 登録日 | 2024-03-07 | | 公開日 | 2024-04-17 | | 最終更新日 | 2024-07-10 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | The Pan-RAF-MEK Nondegrading Molecular Glue NST-628 Is a Potent and Brain-Penetrant Inhibitor of the RAS-MAPK Pathway with Activity across Diverse RAS- and RAF-Driven Cancers.
Cancer Discov, 14, 2024
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7LFY
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7LFT
 | | Cryo-EM structure of human Apo CNGA1 channel in K+/Ca2+ | | 分子名称: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL, POTASSIUM ION, ... | | 著者 | Xue, J, Han, Y, Jiang, Y. | | 登録日 | 2021-01-18 | | 公開日 | 2021-03-10 | | 最終更新日 | 2024-03-06 | | 実験手法 | ELECTRON MICROSCOPY (2.6 Å) | | 主引用文献 | Structural mechanisms of gating and selectivity of human rod CNGA1 channel.
Neuron, 109, 2021
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7LFX
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7LFW
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7LG1
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8RD2
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3BZ3
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4LUS
 | | alanine racemase [Clostridium difficile 630] | | 分子名称: | 3,3',3''-phosphanetriyltripropanoic acid, Alanine racemase, GLYCEROL | | 著者 | Asojo, O.A. | | 登録日 | 2013-07-25 | | 公開日 | 2014-06-04 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structural and biochemical analyses of alanine racemase from the multidrug-resistant Clostridium difficile strain 630.
Acta Crystallogr.,Sect.D, 70, 2014
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6G4D
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1KCK
 | | Bacillus circulans strain 251 Cyclodextrin glycosyl transferase mutant N193G | | 分子名称: | 1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE, CALCIUM ION, CYCLODEXTRIN GLYCOSYLTRANSFERASE, ... | | 著者 | Rozeboom, H.J, Uitdehaag, J.C.M, Dijkstra, B.W. | | 登録日 | 2001-11-09 | | 公開日 | 2002-01-16 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (2.43 Å) | | 主引用文献 | The remote substrate binding subsite -6 in cyclodextrin-glycosyltransferase controls the transferase activity of the enzyme via an induced-fit mechanism.
J.Biol.Chem., 277, 2002
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1KCL
 | | Bacillus ciruclans strain 251 Cyclodextrin glycosyl transferase mutant G179L | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Cyclodextrin glycosyltransferase, ... | | 著者 | Rozeboom, H.J, Uitdehaag, J.C.M, Dijkstra, B.W. | | 登録日 | 2001-11-09 | | 公開日 | 2002-01-16 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | The remote substrate binding subsite -6 in cyclodextrin-glycosyltransferase controls the transferase activity of the enzyme via an induced-fit mechanism.
J.Biol.Chem., 277, 2002
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6GFJ
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4M3G
 | | Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches | | 分子名称: | 4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide, HTH-type transcriptional regulator EthR | | 著者 | Villemagne, B, Flipo, M, Blondiaux, N, Crauste, C, Malaquin, S, Leroux, F, Piveteau, C, Villeret, V, Brodin, P, Villoutreix, B, Sperandio, O, Wohlkonig, A, Wintjens, R, Deprez, B, Baulard, A, Willand, N. | | 登録日 | 2013-08-06 | | 公開日 | 2014-06-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
J.Med.Chem., 57, 2014
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1ZX8
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2OUA
 | | Crystal Structure of Nocardiopsis Protease (NAPase) | | 分子名称: | 1,4-DIETHYLENE DIOXIDE, 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, GLYCEROL, ... | | 著者 | Kelch, B.A, Agard, D.A. | | 登録日 | 2007-02-09 | | 公開日 | 2007-02-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural and mechanistic exploration of Acid resistance: kinetic stability facilitates evolution of extremophilic behavior
J.Mol.Biol., 368, 2007
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5KGO
 | | Structure of K. pneumonia MrkH-c-di-GMP complex | | 分子名称: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), Flagellar brake protein YcgR | | 著者 | Schumacher, M. | | 登録日 | 2016-06-13 | | 公開日 | 2016-08-17 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | To be published:
Structures of K. pneumonia MrkH: dual utilization of the PilZ fold for c-di-GMP and DNA binding by a novel activator of biofilm genes
To Be Published
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6BYL
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6CT4
 | | TFE-induced NMR structure of an antimicrobial peptide (EcDBS1R5) derived from a mercury transporter protein (MerP - Escherichia coli) | | 分子名称: | EcDBS1R5 | | 著者 | Cardoso, M.H, Chan, L.Y, Candido, E.S, Craik, D.J, Franco, O.L. | | 登録日 | 2018-03-22 | | 公開日 | 2018-11-14 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | A Computationally Designed Peptide Derived from Escherichia coli as a Potential Drug Template for Antibacterial and Antibiofilm Therapies.
ACS Infect Dis, 4, 2018
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6G2R
 | | Crystal structure of FimH in complex with a tetraflourinated biphenyl alpha D-mannoside | | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]-2,3,5,6-tetrakis(fluoranyl)benzenecarbonitrile, SULFATE ION, ... | | 著者 | Jakob, R.P, Schoenemann, W, Cramer, J, Muehlethaler, T, Daetwyler, P, Zihlmann, P, Fiege, B, Sager, C.P, Smiesko, M, Rabbani, S, Eris, D, Schwardt, O, Maier, T, Ernst, B. | | 登録日 | 2018-03-23 | | 公開日 | 2019-03-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Improvement of Aglycone pi-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.
Chemmedchem, 14, 2019
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5K0K
 | | Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC2434 | | 分子名称: | 15-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-4,5,6,7,9,10,11,12-octahydro-2,16-(azenometheno)pyrrolo[2,1-d][1,3,5,9]te traazacyclotetradecin-8(3H)-one, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Wang, X, Liu, J, Zhang, W, Stashko, M.A, Nichols, J, DeRyckere, D, Miley, M.J, Norris-Drouin, J, Chen, Z, Machius, M, Wood, E, Graham, D.K, Earp, H.S, Graham, K, Kireev, D, Frye, S.V. | | 登録日 | 2016-05-17 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.545 Å) | | 主引用文献 | Design and Synthesis of Novel Macrocyclic Mer Tyrosine Kinase Inhibitors.
ACS Med Chem Lett, 7, 2016
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4N5G
 | | Crystal Structure of RXRa LBD complexed with a synthetic modulator K8012 | | 分子名称: | 5-(2-{(1Z)-5-fluoro-2-methyl-1-[4-(propan-2-yl)benzylidene]-1H-inden-3-yl}ethyl)-1H-tetrazole, Retinoic acid receptor RXR-alpha | | 著者 | Aleshin, A.E, Su, Y, Zhang, X, Liddington, R.C. | | 登録日 | 2013-10-09 | | 公開日 | 2014-05-14 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Sulindac-Derived RXR alpha Modulators Inhibit Cancer Cell Growth by Binding to a Novel Site.
Chem.Biol., 21, 2014
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6G4E
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5K3Y
 | | Crystal structure of AuroraB/INCENP in complex with BI 811283 | | 分子名称: | Aurora kinase B-A, Inner centromere protein A, N-methyl-N-(1-methylpiperidin-4-yl)-4-{[4-({(1R,2S)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide | | 著者 | Bader, G, Zahn, S.K, Zoephel, A. | | 登録日 | 2016-05-20 | | 公開日 | 2016-08-17 | | 最終更新日 | 2022-12-07 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases.
Mol.Cancer Ther., 15, 2016
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