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キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

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Structure paper

タイトル	Ligand screen against SARS-CoV-2 NSP3 macrodomain
ジャーナル・号・ページ	To be published
掲載日	2025年10月9日 (構造データの登録日)
著者	Correy, G.J. / Fraser, J.S.
リンク	PubMedで検索
手法	X線回折
解像度	0.8 - 1.15 Å
構造データ	PDB-13ri: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004094 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-13rj: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004097 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-13rk: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004052 手法: X-RAY DIFFRACTION / 解像度: 1.03 Å PDB-13rl: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004054 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-13rm: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004100 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-13rn: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004214 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-13ro: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004268 手法: X-RAY DIFFRACTION / 解像度: 0.95 Å PDB-13rp: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004272 手法: X-RAY DIFFRACTION / 解像度: 0.95 Å PDB-13rq: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004683 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å PDB-13rr: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004678 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å PDB-13rs: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005707 手法: X-RAY DIFFRACTION / 解像度: 0.94 Å PDB-13rt: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006249 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-13ru: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006318 手法: X-RAY DIFFRACTION / 解像度: 1.11 Å PDB-13rv: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006319 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-13rw: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006354 手法: X-RAY DIFFRACTION / 解像度: 1.08 Å PDB-13rx: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006344 手法: X-RAY DIFFRACTION / 解像度: 1.04 Å PDB-13ry: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006372 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-7fr0: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890182452 手法: X-RAY DIFFRACTION / 解像度: 1.15 Å PDB-7fr1: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1423250928 手法: X-RAY DIFFRACTION / 解像度: 1.15 Å PDB-7fr2: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5551425673 - (S) isomer 手法: X-RAY DIFFRACTION / 解像度: 1.15 Å PDB-7fr3: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A01A - (S) isomer 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7fr4: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A26A - (S) isomer 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7fr5: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890189003 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7fr6: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890147894 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7fr7: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z431872694 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7fr8: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2890408258 - (R) isomer 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7fr9: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1367095370 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7fra: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z1343520564 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7frb: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5551426009 - (S) isomer 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7frc: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A05 - (R) isomer 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7frd: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with PTERA_A25A - (S) isomer 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7hc4: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-3367 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7hc5: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-3765 手法: X-RAY DIFFRACTION / 解像度: 0.98 Å PDB-7hc6: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-3764 手法: X-RAY DIFFRACTION / 解像度: 1.03 Å PDB-7hc7: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-4051 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å PDB-7hc8: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-3763 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-7hc9: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-3762 手法: X-RAY DIFFRACTION / 解像度: 1.05 Å PDB-7hca: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-4636 手法: X-RAY DIFFRACTION / 解像度: 1.03 Å PDB-7hpi: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1717_6 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-7hpj: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1708_28 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-7hpk: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1708_79 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å PDB-7hpl: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_8 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-7hpm: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1708_42 手法: X-RAY DIFFRACTION / 解像度: 0.98 Å PDB-7hpn: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1708_87 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-7hpo: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1695_15 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-7hpp: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1695_54 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-7hpq: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1696_25 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å PDB-7hpr: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1696_50 手法: X-RAY DIFFRACTION / 解像度: 1.04 Å PDB-7hps: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_83 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-7hpt: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1717_72 手法: X-RAY DIFFRACTION / 解像度: 0.97 Å PDB-7hpu: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1718_59 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-7hpv: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1879_22 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7hpw: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1706_56 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-7hpx: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_92 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å PDB-7hpy: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_91 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-7hpz: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1705_34 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-7hq0: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1706_49 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å PDB-7hq1: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1696_67 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å PDB-7hq2: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1690_92 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7hq3: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1709_75 手法: X-RAY DIFFRACTION / 解像度: 0.97 Å PDB-7hq4: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1696_78 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7hq5: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_85 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å PDB-7hq6: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1702_11 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-7hq7: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1717_26 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-7hq8: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_95 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å PDB-7hq9: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1690_45 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å PDB-7hqa: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1716_34 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7hqb: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1705_4 手法: X-RAY DIFFRACTION / 解像度: 0.98 Å PDB-7hqc: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1696_6 手法: X-RAY DIFFRACTION / 解像度: 0.98 Å PDB-7hqd: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1717_48 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-7hqe: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_79 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7hqf: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1717_16 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-7hqg: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1717_97 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7hqh: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_71 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-7hqi: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1690_88 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7hqj: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1690_48 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-7hqk: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1702_58 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7hql: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_78 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å PDB-7hqm: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_76 手法: X-RAY DIFFRACTION / 解像度: 0.97 Å PDB-7hqn: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1706_32 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å PDB-7hqo: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_89 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-7hqp: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_9 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å PDB-7iiw: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5398393122 手法: X-RAY DIFFRACTION / 解像度: 0.97 Å PDB-7iix: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z7691912366 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-7iiy: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8598075283 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-7iiz: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8598075280 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å PDB-7ij0: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8598075284 手法: X-RAY DIFFRACTION / 解像度: 0.98 Å PDB-7ij1: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8598075302 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-7ij2: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8727396638 手法: X-RAY DIFFRACTION / 解像度: 0.97 Å PDB-7ij3: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8727396582 手法: X-RAY DIFFRACTION / 解像度: 0.97 Å PDB-7ij4: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z7692046343 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-7ij5: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z7692056627 手法: X-RAY DIFFRACTION / 解像度: 0.99 Å PDB-7ij6: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z7140729870 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-7ij7: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z7691912473 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-7ij8: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8928826043 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7ij9: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8928826033 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7ija: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8929429249 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7ijb: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8768700676 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7ijc: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8929428675 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7ijd: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z7692056404 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7ije: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8990523169 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7ijf: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8727401304 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7ijg: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8990527720 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-7ijh: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8990523176 手法: X-RAY DIFFRACTION / 解像度: 1 Å PDB-7iji: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8990523172 手法: X-RAY DIFFRACTION / 解像度: 1.02 Å PDB-7ijj: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8990919037 手法: X-RAY DIFFRACTION / 解像度: 0.98 Å PDB-7ijk: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8990919048 手法: X-RAY DIFFRACTION / 解像度: 0.98 Å PDB-7ijl: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8990523194 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-7ijm: PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z7534253453 手法: X-RAY DIFFRACTION / 解像度: 1.01 Å PDB-8ers: PanDDA analysis -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4718398507 - (R,S) isomer 手法: X-RAY DIFFRACTION / 解像度: 1.05 Å PDB-9cy0: Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-4206 手法: X-RAY DIFFRACTION / 解像度: 0.8 Å
化合物	PDB-1cxr: AUTOMATED 2D NOESY ASSIGNMENT AND STRUCTURE CALCULATION OF CRAMBIN(S22/I25) WITH SELF-CORRECTING DISTANCE GEOMETRY BASED NOAH/DIAMOD PROGRAMS ChemComp-HOH: WATER PDB 未公開エントリ PDB-1cxs: Unknown entry PDB 未公開エントリ PDB-1cxt: Unknown entry PDB-1cxu: 1.42A RESOLUTION ASV INTEGRASE CORE DOMAIN FROM CITRATE ChemComp-CL: Unknown entry / クロリド PDB-1cxv: STRUCTURE OF RECOMBINANT MOUSE COLLAGENASE-3 (MMP-13) PDB-1cxw: THE SECOND TYPE II MODULE FROM HUMAN MATRIX METALLOPROTEINASE 2 PDB-1cxx: MUTANT R122A OF QUAIL CYSTEINE AND GLYCINE-RICH PROTEIN, NMR, MINIMIZED STRUCTURE PDB-1cxy: STRUCTURE AND CHARACTERIZATION OF ECTOTHIORHODOSPIRA VACUOLATA CYTOCHROME B558, A PROKARYOTIC HOMOLOGUE OF CYTOCHROME B5 PDB-1cxz: CRYSTAL STRUCTURE OF HUMAN RHOA COMPLEXED WITH THE EFFECTOR DOMAIN OF THE PROTEIN KINASE PKN/PRK1 PDB 未公開エントリ PDB-1cx0: Unknown entry PDB-1cx1: SECOND N-TERMINAL CELLULOSE-BINDING DOMAIN FROM CELLULOMONAS FIMI BETA-1,4-GLUCANASE C, NMR, 22 STRUCTURES PDB-1cx2: CYCLOOXYGENASE-2 (PROSTAGLANDIN SYNTHASE-2) COMPLEXED WITH A SELECTIVE INHIBITOR, SC-558 PDB-1cx3: SOLUTION STRUCTURE OF A COMPLEX BETWEEN D(ATGCAT)2 AND THE ANTITUMOR BISNAPHTHALIMIDE LU-79553 PDB-1cx4: CRYSTAL STRUCTURE OF A DELETION MUTANT OF THE TYPE II BETA REGULATORY SUBUNIT OF CAMP-DEPENDENT PROTEIN KINASE PDB-1cx5: ANTISENSE DNA/RNA HYBRID CONTAINING MODIFIED BACKBONE PDB-1cx6: T4 LYSOZYME SUBSTITUTED WITH SELENOMETHIONINE PDB-1cx7: T4 LYSOZYME METHIONINE CORE MUTANT ChemComp-WW0: 2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide ChemComp-WWC: 1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide ChemComp-WWH: 3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide ChemComp-DMS: DIMETHYL SULFOXIDE / 2-チアプロパン2-オキシド / DMSO, 沈殿剤YM ChemComp-WWN: 2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide ChemComp-WWT: 2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide ChemComp-WX6: (azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone ChemComp-WXB: 6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione ChemComp-WXF: (2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone ChemComp-WXK: N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide ChemComp-WXO: 6-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione ChemComp-WXT: 1-methyl-N-{(2S)-3-methyl-2-[(9H-purin-6-yl)amino]butyl}cyclobutane-1-carboxamide ChemComp-WXX: 3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide ChemComp-WY6: 3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide PDB-1a03: THE THREE-DIMENSIONAL STRUCTURE OF CA2+-BOUND CALCYCLIN: IMPLICATIONS FOR CA2+-SIGNAL TRANSDUCTION BY S100 PROTEINS, NMR, 20 STRUCTURES PDB-1a02: STRUCTURE OF THE DNA BINDING DOMAINS OF NFAT, FOS AND JUN BOUND TO DNA PDB-1a01: HEMOGLOBIN (VAL BETA1 MET, TRP BETA37 ALA) MUTANT PDB-1a00: HEMOGLOBIN (VAL BETA1 MET, TRP BETA37 TYR) MUTANT PDB-1a0z: HEMOGLOBIN (VAL BETA1 MET) MUTANT PDB-1a0r: HETEROTRIMERIC COMPLEX OF PHOSDUCIN/TRANSDUCIN BETA-GAMMA PDB-1a0q: 29G11 COMPLEXED WITH PHENYL [1-(1-N-SUCCINYLAMINO)PENTYL] PHOSPHONATE PDB-1bj2: RNA LOOP-LOOP COMPLEX: THE COLE1 INVERTED LOOP SEQUENCE, NMR, 8 STRUCTURES PDB-1bj3: CRYSTAL STRUCTURE OF COAGULATION FACTOR IX-BINDING PROTEIN (IX-BP) FROM VENOM OF HABU SNAKE WITH A HETERODIMER OF C-TYPE LECTIN DOMAINS PDB-1bj4: RECOMBINANT SERINE HYDROXYMETHYLTRANSFERASE (HUMAN) PDB-1bji: THE X-RAY STRUCTURE OF A COMPLEX OF TERN N9 INFLUENZA VIRUS NEURAMINIDASE COMPLEXED WITH THE GLAXO 6-CARBOXAMIDE SIALIC ACID ANALOGUE GR217029 PDB-1bj5: HUMAN SERUM ALBUMIN COMPLEXED WITH MYRISTIC ACID PDB-1bj6: 1H NMR OF (12-53) NCP7/D(ACGCC) COMPLEX, 10 STRUCTURES PDB-1bj7: BOVINE LIPOCALIN ALLERGEN BOS D 2 PDB-1bke: HUMAN SERUM ALBUMIN IN A COMPLEX WITH MYRISTIC ACID AND TRI-IODOBENZOIC ACID PDB-1bkd: COMPLEX OF HUMAN H-RAS WITH HUMAN SOS-1 PDB-1bkc: CATALYTIC DOMAIN OF TNF-ALPHA CONVERTING ENZYME (TACE) PDB-1bkb: INITIATION FACTOR 5A FROM ARCHEBACTERIUM PYROBACULUM AEROPHILUM PDB-1bka: OXALATE-SUBSTITUTED DIFERRIC LACTOFERRIN PDB-1bjo: THE STRUCTURE OF PHOSPHOSERINE AMINOTRANSFERASE FROM E. COLI IN COMPLEX WITH ALPHA-METHYL-L-GLUTAMATE PDB-1bjn: STRUCTURE OF PHOSPHOSERINE AMINOTRANSFERASE FROM ESCHERICHIA COLI PDB 未公開エントリ PDB-1bkq: Unknown entry PDB-1cm4: Motions of calmodulin-four-conformer refinement PDB-1bkp: THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS PDB-1bko: THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS PDB-1bkn: CRYSTAL STRUCTURE OF AN N-TERMINAL 40KD FRAGMENT OF E. COLI DNA MISMATCH REPAIR PROTEIN MUTL PDB-1bjm: LOC NAKS, A LAMBDA 1 TYPE LIGHT-CHAIN DIMER (BENCE-JONES PROTEIN) CRYSTALLIZED IN NAKSO4 PDB-1bkm: COCRYSTAL STRUCTURE OF D-AMINO ACID SUBSTITUTED PHOSPHOPEPTIDE COMPLEX PDB-1bkl: SELF-ASSOCIATED APO SRC SH2 DOMAIN PDB-1bkk: Unknown entry PDB-1bki: Unknown entry PDB-1bkh: MUCONATE LACTONIZING ENZYME FROM PSEUDOMONAS PUTIDA PDB-1bjj: AGKISTRODOTOXIN, A PHOSPHOLIPASE A2-TYPE PRESYNAPTIC NEUROTOXIN FROM AGKISTRODON HALYS PALLAS PDB-1bkf: FK506 BINDING PROTEIN FKBP MUTANT R42K/H87V COMPLEX WITH IMMUNOSUPPRESSANT FK506 PDB-1bkg: ASPARTATE AMINOTRANSFERASE FROM THERMUS THERMOPHILUS WITH MALEATE PDB-1bj8: THIRD N-TERMINAL DOMAIN OF GP130, NMR, MINIMIZED AVERAGE STRUCTURE PDB-1bj9: EFFECT OF UNNATURAL HEME SUBSTITUTION ON KINETICS OF ELECTRON TRANSFER IN CYTOCHROME C PEROXIDASE PDB 未公開エントリ PDB-1bjl: Unknown entry PDB-1bjq: THE DOLICHOS BIFLORUS SEED LECTIN IN COMPLEX WITH ADENINE PDB-1bjk: FERREDOXIN:NADP+ REDUCTASE MUTANT WITH ARG 264 REPLACED BY GLU (R264E) PDB-1bjr: COMPLEX FORMED BETWEEN PROTEOLYTICALLY GENERATED LACTOFERRIN FRAGMENT AND PROTEINASE K PDB 未公開エントリ PDB-1bjs: CRYSTAL STRUCTURE OF CYCLOHEXADIENYL DEHYDRATASE PDB-1bj1: VASCULAR ENDOTHELIAL GROWTH FACTOR IN COMPLEX WITH A NEUTRALIZING ANTIBODY PDB 未公開エントリ PDB-1bj0: Unknown entry PDB-1bjz: TETRACYCLINE CHELATED MG2+-ION INITIATES HELIX UNWINDING FOR TET REPRESSOR INDUCTION PDB 未公開エントリ PDB-1bjy: Unknown entry PDB-1bjx: HUMAN PROTEIN DISULFIDE ISOMERASE, NMR, 24 STRUCTURES PDB-1bjw: ASPARTATE AMINOTRANSFERASE FROM THERMUS THERMOPHILUS PDB-1bjv: BETA-TRYPSIN COMPLEXED WITH APPU PDB-1bju: BETA-TRYPSIN COMPLEXED WITH ACPU PDB-1bjt: TOPOISOMERASE II RESIDUES 409-1201 PDB-1bjp: CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY 2-OXO-3-PENTYNOATE AT 2.4 ANGSTROMS RESOLUTION ChemComp-RLU: (3R)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid PDB-1cjb: MALARIAL PURINE PHOSPHORIBOSYLTRANSFERASE PDB-1cjc: STRUCTURE OF ADRENODOXIN REDUCTASE OF MITOCHONDRIAL P450 SYSTEMS PDB-1cjd: THE BACTERIOPHAGE PRD1 COAT PROTEIN, P3, IS STRUCTURALLY SIMILAR TO HUMAN ADENOVIRUS HEXON PDB-1cje: ADRENODOXIN FROM BOVINE PDB-1cjf: PROFILIN BINDS PROLINE-RICH LIGANDS IN TWO DISTINCT AMIDE BACKBONE ORIENTATIONS PDB-1cjr: X-RAY CRYSTALLOGRAPHIC STUDIES OF DENATURATION IN RIBONUCLEASE S PDB-1cjs: CRYSTAL STRUCTURE OF RIBOSOMAL PROTEIN L1 FROM METHANOCOCCUS JANNASCHII PDB-1cjt: COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE: COMPLEX WITH BETA-L-2',3'-DIDEOXYATP, MN, AND MG PDB-1cjv: COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE: COMPLEX WITH BETA-L-2',3'-DIDEOXYATP, MG, AND ZN PDB-1cjw: SEROTONIN N-ACETYLTRANSFERASE COMPLEXED WITH A BISUBSTRATE ANALOG PDB-1cjx: CRYSTAL STRUCTURE OF PSEUDOMONAS FLUORESCENS HPPD PDB-1cjy: HUMAN CYTOSOLIC PHOSPHOLIPASE A2 PDB 未公開エントリ PDB-1cjz: COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE: COMPLEX WITH BETA-L-2'',3''-DIDEOXYATP, MN, AND MG PDB-1cj0: CRYSTAL STRUCTURE OF RABBIT CYTOSOLIC SERINE HYDROXYMETHYLTRANSFERASE AT 2.8 ANGSTROM RESOLUTION PDB-1cj1: GROWTH FACTOR RECEPTOR BINDING PROTEIN SH2 DOMAIN (HUMAN) COMPLEXED WITH A PHOSPHOTYROSYL DERIVATIVE PDB-1cj3: MUTANT TYR38GLU OF PARA-HYDROXYBENZOATE HYDROXYLASE PDB-1akg: ALPHA-CONOTOXIN PNIB FROM CONUS PENNACEUS PDB-1cj4: MUTANT Q34T OF PARA-HYDROXYBENZOATE HYDROXYLASE PDB-1cj5: BOVINE BETA-LACTOGLOBULIN A PDB-1cj6: T11A MUTANT HUMAN LYSOZYME PDB-1cj7: T11V MUTANT HUMAN LYSOZYME PDB-1cj8: T40A MUTANT HUMAN LYSOZYME PDB-1cka: STRUCTURAL BASIS FOR THE SPECIFIC INTERACTION OF LYSINE-CONTAINING PROLINE-RICH PEPTIDES WITH THE N-TERMINAL SH3 DOMAIN OF C-CRK PDB-1ckb: STRUCTURAL BASIS FOR THE SPECIFIC INTERACTION OF LYSINE-CONTAINING PROLINE-RICH PEPTIDES WITH THE N-TERMINAL SH3 DOMAIN OF C-CRK PDB-1ckc: T43A MUTANT HUMAN LYSOZYME PDB-1ckd: T43V MUTANT HUMAN LYSOZYME PDB-1cke: CMP KINASE FROM ESCHERICHIA COLI FREE ENZYME STRUCTURE PDB-1ckf: T52A MUTANT HUMAN LYSOZYME PDB-1ckh: T70V MUTANT HUMAN LYSOZYME PDB-1cki: RECOMBINANT CASEIN KINASE I DELTA TRUNCATION MUTANT CONTAINING RESIDUES 1-317 PDB-1ckj: CASEIN KINASE I DELTA TRUNCATION MUTANT CONTAINING RESIDUES 1-317 COMPLEX WITH BOUND TUNGSTATE PDB-1ckk: CALMODULIN/RAT CA2+/CALMODULIN DEPENDENT PROTEIN KINASE FRAGMENT PDB-1ckl: N-TERMINAL TWO DOMAINS OF HUMAN CD46 (MEMBRANE COFACTOR PROTEIN, MCP) ChemComp-WQO: (1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid PDB-1a55*: PHOSPHATE-BINDING PROTEIN MUTANT A197C
由来	severe acute respiratory syndrome coronavirus 2 (ウイルス)
キーワード	VIRAL PROTEIN / Macrodomain / ADP-ribose / SARS-CoV-2 / fragment-based drug discovery / HYDROLASE/INHIBITOR / HYDROLASE-INHIBITOR complex

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