PDB: 30867 件ウェブページステータス検索Chemie searchBIRD

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7AT9	Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphaD-pocket ligand 3,4-dichlorophenethylamine 分子名称: 1,2-ETHANEDIOL, 2-(3,4-dichlorophenyl)ethanamine, 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol, ... 著者 Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. 登録日 2020-10-29 公開日 2021-08-04 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (1.05 Å) 主引用文献 Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity. J.Med.Chem., 65, 2022
6TKE	ChiLob 7/4 H2 HC-C224S Kappa LC-C214S F(ab')2 分子名称: ChiLob 7/4 H2 heavy chain C224S, ChiLob 7/4 H2 kappa chain C214S 著者 Orr, C.M, Fisher, H, Tews, I. 登録日 2019-11-28 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility. Sci Immunol, 7, 2022
6TKF	ChiLob 7/4 H2 HC-C225S KappaLC-C214S F(ab')2 分子名称: ChiLob 7/4 H2 Heavy chain C225S, ChiLob 7/4 H2 Kappa light chain C214S 著者 Orr, C.M, Fisher, H, Tews, I. 登録日 2019-11-28 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility. Sci Immunol, 7, 2022
5O40	SOD1 bound to Ebselen 分子名称: N-phenyl-2-selanylbenzamide, SULFATE ION, Superoxide dismutase [Cu-Zn], ... 著者 Capper, M.J, Wright, G.S.A, Antonyuk, S.V, Hasnain, S.S. 登録日 2017-05-25 公開日 2018-06-13 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 The cysteine-reactive small molecule ebselen facilitates effective SOD1 maturation. Nat Commun, 9, 2018
7ATV	Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2 分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Casein kinase II subunit alpha', ... 著者 Lindenblatt, D, Applegate, V, Nickelsen, A, Klussmann, M, Neundorf, I, Goetz, C, Jose, J, Niefind, K. 登録日 2020-10-31 公開日 2021-08-04 最終更新日 2024-06-19 実験手法 X-RAY DIFFRACTION (0.98 Å) 主引用文献 Molecular Plasticity of Crystalline CK2 alpha ' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity. J.Med.Chem., 65, 2022
6TKD	ChiLob 7/4 H2 HC-C228S F(ab')2 分子名称: Chilob 7/4 H2 heavy chain C228S, Chilob 7/4 H2 kappa chain 著者 Orr, C.M, Fisher, H, Tews, I. 登録日 2019-11-28 公開日 2021-06-09 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility. Sci Immunol, 7, 2022
6TKC	ChiLob 7/4 H2 HC-C225S F(ab')2 分子名称: Chilob 7/4 H2 heavy chain C225S, Chilob 7/4 H2 kappa chain 著者 Orr, C.M, Fisher, H, Tews, I. 登録日 2019-11-28 公開日 2021-06-09 最終更新日 2022-12-21 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility. Sci Immunol, 7, 2022
5O44	Crystal structure of unbranched mixed tri-Ubiquitin chain containing K48 and K63 linkages. 分子名称: MAGNESIUM ION, Polyubiquitin-B, SULFATE ION, ... 著者 Padala, P, Isupov, M.N, Wiener, R. 登録日 2017-05-26 公開日 2017-11-08 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.14 Å) 主引用文献 The Crystal Structure and Conformations of an Unbranched Mixed Tri-Ubiquitin Chain Containing K48 and K63 Linkages. J. Mol. Biol., 429, 2017
5O47	Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with fructosyl-hydroxytyrosol 分子名称: 1,2-ETHANEDIOL, 2-(3,4-dihydroxyphenyl)ethyl beta-D-fructofuranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Ramirez-Escudero, M, Sanz-Aparicio, J. 登録日 2017-05-26 公開日 2018-11-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.91 Å) 主引用文献 Fructosylation of Hydroxytyrosol by the beta-Fructofuranosidase from Xanthophyllomyces dendrorhous: Insights into the Molecular Basis of the Enzyme Specificity Chem.Cat.Chem, 2018
7ATM	Structure of P. aeruginosa PBP3 in complex with a phenyl boronic acid (Compound 1) 分子名称: (3-(1H-tetrazol-5-yl)phenyl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Newman, H, Bellini, B, Dowson, C.G. 登録日 2020-10-30 公開日 2021-08-11 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.582 Å) 主引用文献 High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
7ATO	Structure of P. aeruginosa PBP3 in complex with an aryl boronic acid (Compound 2) 分子名称: (5-methyl-1H-indazol-6-yl)boronic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Newman, H, Bellini, B, Dowson, C.G. 登録日 2020-10-30 公開日 2021-08-11 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.587 Å) 主引用文献 High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
7AU0	Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 7) 分子名称: Peptidoglycan D,D-transpeptidase FtsI, methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate 著者 Newman, H, Bellini, B, Dowson, C.G. 登録日 2020-11-02 公開日 2021-08-11 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
6TBT	Crystal structure of the BCL6 BTB domain in complex with an Apt48 peptide 分子名称: Apt48 peptide, B-cell lymphoma 6 protein, CHLORIDE ION, ... 著者 Zacharchenko, T, Wright, S.C. 登録日 2019-11-04 公開日 2021-10-13 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.63 Å) 主引用文献 Structural basis of Apt48 inhibition of the BCL6 BTB domain. Structure, 2021
5O2S	Human KRAS in complex with darpin K27 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Debreczeni, J.E, Guillard, S, Kolasinska-Zwierz, P, Breed, J, Zhang, J, Bery, N, Marwood, R, Tart, J, Stocki, P, Mistry, B, Phillips, C, Rabbitts, T, Jackson, R, Minter, R. 登録日 2017-05-22 公開日 2017-07-26 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (3.22 Å) 主引用文献 Structural and functional characterization of a DARPin which inhibits Ras nucleotide exchange. Nat Commun, 8, 2017
5O5T	X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1007 分子名称: (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{S})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Barinka, C, Novakova, Z, Motlova, L. 登録日 2017-06-02 公開日 2018-06-13 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a urea based inhibitor PSMA 1007 To Be Published
7ATX	Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 4) 分子名称: 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one, Peptidoglycan D,D-transpeptidase FtsI 著者 Newman, H, Bellini, B, Dowson, C.G. 登録日 2020-11-01 公開日 2021-08-11 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.795 Å) 主引用文献 High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
5O36	Japanese encephalitis virus non-structural protein 1' C-terminal domain 分子名称: Japanese encephalitis virus non-structural protein 1' (NS1'),Japanese encephalitis virus non-structural protein 1' (NS1'), N-PROPANOL, SULFATE ION 著者 Thanalai, P, Wright, G.S.A, Antonyuk, S.V. 登録日 2017-05-23 公開日 2018-01-24 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural Study of the C-Terminal Domain of Nonstructural Protein 1 from Japanese Encephalitis Virus. J. Virol., 92, 2018
7AU8	Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 13) 分子名称: 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI 著者 Newman, H, Bellini, B, Dowson, C.G. 登録日 2020-11-02 公開日 2021-08-11 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
6T5I	The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with inhibitor of WNT production (IWP)-2 分子名称: DIMETHYL SULFOXIDE, Listeriolysin positive regulatory factor A, SODIUM ION, ... 著者 Oelker, M, Grundstrom, C, Blumenthal, A, Sauer-Eriksson, A.E. 登録日 2019-10-16 公開日 2021-10-27 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Inhibition of the master regulator of Listeria monocytogenes virulence enables bacterial clearance from spacious replication vacuoles in infected macrophages. Plos Pathog., 18, 2022
5O3B	Human Brd2(BD2) mutant in complex with AL 分子名称: Bromodomain-containing protein 2, methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate 著者 Runcie, A.C, Chan, K.-H, Ciulli, A. 登録日 2017-05-23 公開日 2018-02-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Optimization of a "bump-and-hole" approach to allele-selective BET bromodomain inhibition. Chem Sci, 9, 2018
7AU9	Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 14) 分子名称: GLYCEROL, N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide, Peptidoglycan D,D-transpeptidase FtsI 著者 Newman, H, Bellini, B, Dowson, C.G. 登録日 2020-11-02 公開日 2021-08-11 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.137 Å) 主引用文献 High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
5O6D	Structure of ScPif1 in complex with polydT and ATPgS 分子名称: ATP-dependent DNA helicase PIF1, DNA (5'-D(P*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ... 著者 Lu, K.Y, Chen, W.F, Rety, S, Liu, N.N, Xu, X.G. 登録日 2017-06-06 公開日 2017-12-13 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.283 Å) 主引用文献 Insights into the structural and mechanistic basis of multifunctional S. cerevisiae Pif1p helicase. Nucleic Acids Res., 46, 2018
7ATW	Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 3) 分子名称: 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI 著者 Newman, H, Bellini, B, Dowson, C.G. 登録日 2020-11-01 公開日 2021-08-11 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes. J.Med.Chem., 64, 2021
6TIF	ReoM- Listeria monocytogenes 分子名称: SULFATE ION, UPF0297 protein lmo1503 著者 Rutter, Z.J, Lewis, R.J. 登録日 2019-11-22 公開日 2020-06-10 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 PrkA controls peptidoglycan biosynthesis through the essential phosphorylation of ReoM. Elife, 9, 2020
5O3V	Structural characterization of the fast and promiscuous macrocyclase from plant - PCY1-S562A bound to Presegetalin B1 分子名称: MAGNESIUM ION, Peptide cyclase 1, Putative presegetalin B1, ... 著者 Ludewig, H, Czekster, C.M, Bent, A.F, Naismith, J.H. 登録日 2017-05-25 公開日 2018-02-07 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.17 Å) 主引用文献 Characterization of the Fast and Promiscuous Macrocyclase from Plant PCY1 Enables the Use of Simple Substrates. ACS Chem. Biol., 13, 2018

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