PDB: 245396 件ウェブページステータス検索Chemie searchBIRD

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4WMR	STRUCTURE OF MCL1 BOUND TO BRD inhibitor ligand 1 AT 1.7A 分子名称: 7-[2-(1H-imidazol-1-yl)-4-methylpyridin-3-yl]-3-[3-(naphthalen-1-yloxy)propyl]-1-[2-oxo-2-(piperazin-1-yl)ethyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, PYROPHOSPHATE 2-, ... 著者 CLIFTON, M.C, EDWARDS, T.E. 登録日 2014-10-09 公開日 2015-05-06 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1. Plos One, 10, 2015
8P77	Cryo-EM structure of CAK in complex with inhibitor ICEC0943 分子名称: (3S,4S)-4-[[[7-[(phenylmethyl)amino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol, CDK-activating kinase assembly factor MAT1, Cyclin-H, ... 著者 Cushing, V.I, Koh, A.F, Feng, J, Jurgaityte, K, Bahl, A.K, Ali, S, Kotecha, A, Greber, B.J. 登録日 2023-05-30 公開日 2024-03-20 最終更新日 2024-10-16 実験手法 ELECTRON MICROSCOPY (1.8 Å) 主引用文献 High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design. Nat Commun, 15, 2024
7N19	DR3 in complex with Aspergillus nidulans NAD-dependent histone deacetylase hst4 peptide 分子名称: 1,2-ETHANEDIOL, 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 Wang, Y, Dai, S. 登録日 2021-05-27 公開日 2021-08-18 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 CD4+ T cells in the lungs of acute sarcoidosis patients recognize an Aspergillus nidulans epitope. J.Exp.Med., 218, 2021
8PO3	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 18 bound to EGFR[V948R] 分子名称: 2-methyl-5-[[3-[1-[(3~{S})-1-propanoylpyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor 著者 Hargreaves, D. 登録日 2023-07-03 公開日 2024-06-05 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.13 Å) 主引用文献 Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
6Z7B	Variant Surface Glycoprotein VSGsur bound to suramin 分子名称: 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFON IC ACID, Variant surface glycoprotein Sur, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Zeelen, J.P, Straaten van, M, Stebbins, C.E, Jeffrey, P. 登録日 2020-05-30 公開日 2021-03-24 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Structure of trypanosome coat protein VSGsur and function in suramin resistance. Nat Microbiol, 6, 2021
7NHI	Crystal structure of the human METTL3-METTL14 complex with compound UOZ004 分子名称: (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... 著者 Bedi, R.K, Huang, D, Caflisch, A. 登録日 2021-02-10 公開日 2021-09-01 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3 Acs Bio Med Chem Au, 2023
8PO1	Discovery and Optimisation of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. Compound 22 bound to EGFRinsNPG [V948R] 分子名称: 2-methyl-5-[[3-[1-[(3~{S},5~{R})-5-methyl-1-propanoyl-pyrrolidin-3-yl]-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]-3~{H}-isoindol-1-one, Epidermal growth factor receptor, IODIDE ION 著者 Hargreaves, D. 登録日 2023-07-03 公開日 2024-06-05 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Discovery and Optimization of Potent, Efficacious and Selective Inhibitors Targeting EGFR Exon20 Insertion Mutations. J.Med.Chem., 67, 2024
8PCD	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 150 ms 分子名称: BORATE ION, Beta-lactamase, SULFATE ION 著者 Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. 登録日 2023-06-11 公開日 2024-06-26 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.97 Å) 主引用文献 Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
8PCA	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 50 ms 分子名称: Beta-lactamase, SULFATE ION 著者 Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. 登録日 2023-06-11 公開日 2024-06-26 最終更新日 2024-07-17 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
7NH5	Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 6 分子名称: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-methyl-6-[4-[[4-[2-oxidanylidene-6-(propanoylamino)-3~{H}-benzimidazol-1-yl]piperidin-1-yl]methyl]phenyl]-5-phenyl-pyridine-3-carboxamide 著者 Landel, I, Mueller, M.P, Rauh, D. 登録日 2021-02-10 公開日 2021-09-08 最終更新日 2025-10-01 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Cellular model system to dissect the isoform-selectivity of Akt inhibitors. Nat Commun, 12, 2021
7NH4	Co-Crystal Structure of Akt1 in Complex with Covalent-Allosteric Akt Inhibitor 3 分子名称: ACETATE ION, RAC-alpha serine/threonine-protein kinase, ~{N}-[3-[1-[[4-[5-(hydroxymethyl)-3-phenyl-pyridin-2-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide 著者 Landel, I, Mueller, M.P, Rauh, D. 登録日 2021-02-10 公開日 2021-09-08 最終更新日 2025-10-01 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Cellular model system to dissect the isoform-selectivity of Akt inhibitors. Nat Commun, 12, 2021
8PCE	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 250 ms 分子名称: BORATE ION, Beta-lactamase, SULFATE ION 著者 Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. 登録日 2023-06-11 公開日 2024-06-26 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
8PCI	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 5000 ms 分子名称: BORATE ION, Beta-lactamase, SULFATE ION 著者 Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. 登録日 2023-06-11 公開日 2024-06-26 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
8PCJ	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 10000 ms 分子名称: BORATE ION, Beta-lactamase, SULFATE ION 著者 Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. 登録日 2023-06-11 公開日 2024-06-26 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
7P4J	Crystal structure of Autotaxin and tetrahydrocannabinol 分子名称: (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, ... 著者 Eymery, M.C, McCarthy, A.A, Hausmann, J. 登録日 2021-07-11 公開日 2022-12-28 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Linking medicinal cannabis to autotaxin-lysophosphatidic acid signaling. Life Sci Alliance, 6, 2023
4WZV	Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain 分子名称: (2R)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-hydroxy-2-{[(4'-methoxybiphenyl-4-yl)sulfonyl](propan-2-yloxy)amino}butanamide, 1,2-ETHANEDIOL, AZIDE ION, ... 著者 Stura, E.A, Vera, L, Cassar-Lajeunesse, E, Nuti, E, Dive, V, Rossello, A. 登録日 2014-11-20 公開日 2015-08-26 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity. J.Med.Chem., 58, 2015
8PCF	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 500 ms 分子名称: BORATE ION, Beta-lactamase, SULFATE ION 著者 Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. 登録日 2023-06-11 公開日 2024-06-26 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
4WMB	crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese, acceptor ligand and UDP 分子名称: Coagulation factor IX, MANGANESE (II) ION, SULFATE ION, ... 著者 Yu, H, Li, H. 登録日 2014-10-08 公開日 2015-09-30 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Notch-modifying xylosyltransferase structures support an SNi-like retaining mechanism. Nat.Chem.Biol., 11, 2015
4WMK	Crystal structure of mouse Xyloside xylosyltransferase 1 complexed with manganese, product ligand and UDP (Product complex II) 分子名称: Coagulation factor IX, MANGANESE (II) ION, SULFATE ION, ... 著者 Yu, H, Li, H. 登録日 2014-10-09 公開日 2015-09-30 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Notch-modifying xylosyltransferase structures support an SNi-like retaining mechanism. Nat.Chem.Biol., 11, 2015
8PCK	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 0 ms 分子名称: BORATE ION, Beta-lactamase, SULFATE ION 著者 Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. 登録日 2023-06-11 公開日 2024-06-26 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.53 Å) 主引用文献 Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
7MZK	SARS-CoV-2 receptor binding domain bound to Fab WCSL 129 and Fab PDI 96 分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ... 著者 Pymm, P, Dietrich, M.H, Tan, L.L, Chan, L.J, Tham, W.H. 登録日 2021-05-24 公開日 2021-10-06 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain. Cell Rep, 37, 2021
7MZG	SARS-CoV-2 receptor binding domain bound to Fab PDI 42 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, PDI 42 heavy chain, ... 著者 Pymm, P, Chan, L.J, Dietrich, M.H, Tan, L.L, Tham, W.H. 登録日 2021-05-24 公開日 2021-10-06 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain. Cell Rep, 37, 2021
8PCG	Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 2000 ms 分子名称: BORATE ION, Beta-lactamase, SULFATE ION 著者 Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. 登録日 2023-06-11 公開日 2024-06-26 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (1.51 Å) 主引用文献 Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
7N12	Crystal structure of the M. abscessus LeuRS editing domain in complex with epetraborole-AMP adduct 分子名称: Leucine--tRNA ligase, SULFATE ION, [(1S,5R,6R,7'S,8R)-7'-(aminomethyl)-6-(6-aminopurin-9-yl)-2'-(3-oxidanylpropoxy)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate 著者 Kalthoff, E, Schmeing, M. 登録日 2021-05-26 公開日 2021-10-06 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Efficacy of epetraborole against Mycobacterium abscessus is increased with norvaline. Plos Pathog., 17, 2021
7MZJ	SARS-CoV-2 receptor binding domain bound to Fab WCSL 129 and Fab PDI 93 分子名称: GLYCEROL, PDI 93 heavy chain, PDI 93 light chain, ... 著者 Pymm, P, Dietrich, M.H, Tan, L.L, Chan, L.J, Tham, W.H. 登録日 2021-05-24 公開日 2021-10-06 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Landscape of human antibody recognition of the SARS-CoV-2 receptor binding domain. Cell Rep, 37, 2021

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