PDB ID

タイトル

公開/更新年月日

論文

Zhou, Z.,Huang, C.,Zhou, Z.,Huang, Z.,Su, L.,Kang, S.,Chen, X.,Chen, Q.,He, S.,Rong, X.,Xiao, F.,Chen, J.,Chen, S.

Structural insight reveals SARS-CoV-2 ORF7a as an immunomodulating factor for human CD14+ monocytes

iScience 2021-02-11

7CI3

The crystal structure of the SARS-CoV-2 ORF7a ectodomain

2021-03-03

論文

Zhang CH, Stone EA, Deshmukh M, Ippolito JA [..] Anderson KS, Jorgensen WL.

Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations

ACS Central Science 2021-02-22.

7L10

Crystal structure of the SARS-Cov-2(2019-nCov) main protease in complex with compound 4

2021-03-03

7L11

Crystal structure of the SARS-Cov-2(2019-nCov) main protease in complex with compound 5

2021-03-03

7L12

Crystal structure of the SARS-Cov-2(2019-nCov) main protease in complex with compound 14

2021-03-03

7L13

Crystal structure of the SARS-Cov-2(2019-nCov) main protease in complex with compound 21

2021-03-03

7L14

Crystal structure of the SARS-Cov-2(2019-nCov) main protease in complex with compound 26

2021-03-03

投稿

Yuan, M.,Huang, D.,Lee, C.D.,Wu, N.C.,Jackson, A.M.,Zhu, X.,Liu, H.,Peng, L.,van Gils, M.J.,Sanders, R.W.,Burton, D.R.,Reincke, S.M.,Pruss, H.,Kreye, J.,Nemazee, D.,Ward, A.B.,Wilson, I.A.

Structural and functional ramifications of antigenic drift in recent SARS-CoV-2 variants

bioRxiv 2021-02-17

7LOP

Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies CV05-163 and CR3022

2021-03-03


Iketani S [..] Stockwell BR, Chavez A, Ho DD.

Lead compounds for the development of SARS-CoV-2 3CL protease inhibitorsd compounds for the development of SARS-CoV-2 3CL protease inhibitors

bioRixv 2020-08-04

7JST

Crystal structure of SARS-CoV-2 3CL in apo form

2021-03-03


Guenther, S.,Reinke, P.,Meents, A.

Structure of SARS-CoV-2 Main Protease bound to UNC-2327

To Be Published

7AQE

Structure of SARS-CoV-2 Main Protease bound to UNC-2327

2021-03-03


Costanzi, E.,Demitri, N.,Giabbai, B.,Storici, P.

Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.6A resolution (spacegroup P2(1)2(1)2(1))

To Be Published

7BB2

Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.6A resolution (spacegroup P2(1)2(1)2(1))

2021-03-03


Costanzi, E.,Demitri, N.,Giabbai, B.,Storici, P.

Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.

To Be Published

7BE7

Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.

2021-03-03

7BGP

Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in absence of DTT.

2021-03-03


Costanzi, E.,Demitri, N.,Giabbai, B.,Storici, P.

Crystal structure of SU3327 (halicin) covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.

To Be Published

7NBY

Crystal structure of SU3327 (halicin) covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.

2021-03-03


Costanzi, E.,Demitri, N.,Giabbai, B.,Storici, P.

Crystal structure of ebselen covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2.

To Be Published

7BFB

Crystal structure of ebselen covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2

2021-03-03


Costanzi, E.,Demitri, N.,Giabbai, B.,Storici, P.

Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2

To Be Published

7B3E

Crystal structure of myricetin covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2

2021-01-13


Costanzi, E., Demitri, N., Giabbai, B., Heroux, A., Storici, P.

Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.65A resolution (spacegroup C2).

To Be Published

7ALI

Crystal structure of the main protease (3CLpro/Mpro) of SARS-CoV-2 at 1.65A resolution (spacegroup P2(1)).

2020-12-02


Zhang, L.,Hilgenfeld, R.

Crystal structure of SARS-CoV-2 main protease (Mpro) in complex with the HCV NS3/4A inhibitor boceprevir

To Be Published

7NBS

Crystal structure of SARS-CoV-2 main protease (Mpro) in complex with the HCV NS3/4A inhibitor telaprevir

2021-03-03

7NBR

Crystal structure of SARS-CoV-2 main protease (Mpro) in complex with the HCV NS3/4A inhibitor boceprevir

2021-03-03


Guenther, S.,Reinke, P.Y.A.,Oberthuer, D.,Yefanov, O.,Gelisio, L.,Ginn, H.M.,Lieske, J.,Domaracky, M.,Brehm, W.,Rahmani Mashhour, A.,White, T.A.,Knoska, J.,Pena Esperanza, G.,Koua, F.,Tolstikova, A.,Groessler, M.,Fischer, P.,Hennicke, V.,Fleckenstein, H.,Trost, F.,Galchenkova, M.,Gevorkov, Y.,Li, C.,Awel, S.,Xavier, P.L.,Ullah, N.,Andaleeb, H.,Falke, S.,Alves Franca, B.,Schwinzer, M.,Brognaro, H.,Werner, N.,Perbandt, M.,Tidow, H.,Seychell, B.,Beck, T.,Meier, S.,Zaitsev-Doyle, J.J.,Rogers, C.,Gieseler, H.,Melo, D.,Monteiro, D.C.F.,Dunkel, I.,Lane, T.J.,Peck, A.,Saouane, S.,Hakanpaeae, J.,Meyer, J.,Noei, H.,Gribbon, P.,Ellinger, B.,Kuzikov, M.,Wolf, M.,Zhang, L.,Ehrt, C.,Pletzer-Zelgert, J.,Wollenhaupt, J.,Feiler, C.,Weiss, M.,Schluenzen, F.,Schulz, E.C.,Mehrabi, P.,Norton-Baker, B.,Schmidt, C.,Lorenzen, K.,Schubert, R.,Sun, X.,Han, H.,Chari, A.,Fernandez Garcia, Y.,Turk, D.,Hilgenfeld, R.,Rarey, M.,Zaliani, A.,Chapman, H.N.,Pearson, A.,Betzel, C.,Meents, A.

Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin

To Be Published

7NEV

Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin

2021-03-03

6YZ6

Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin

2020-05-20

投稿

Clyde, A.,Galanie, S.,Kneller, D.W.,Ma, H.,Kertesz, V.,Coates, L.,Brace, A.,Trifan, A.,Blaiszik, B.,Chard, K.,Chard, R.,Li, Z.,Babuji, Y.,Foster, I.,Brettin, T.,Lee, H.,Merzky, A.,Titov, M.,Turilli, M.,Tan, L.,Van Dam, H.,Schmidt, J.,Jha, S.,Kovalevsky, A.,Ramanathan, A.,Head, M.,Stevens, R.

High Throughput Virtual Screening and Validation of a Non-Covalent Inhibitor of the SARS-CoV-2 Main Protease

To Be Published

7LTJ

Room-temperature X-ray structure of SARS-CoV-2 main protease (3CL Mpro) in complex with a non-covalent inhibitor Mcule-5948770040

2021-03-03


Supasa, P., Zhou, D., Dejnirattisai, W., Liu, C., Mentzer, A.J., Ginn, H.M.,Zhao, Y., Duyvesteyn, H.M.E., Nutalai, R., Tuekprakhon, A., Wang, B., Paesen, G.C., Slon-Campos,J., López-Camacho, C., Hallis, B., Coombes, N., Bewley, K., Charlton, S., Walter, T.S., Barnes, E.,Dunachie, S.J., Skelly, D., Lumley, S.F., Baker, N., Shaik, I., Humphries, H., Godwin, K., Gent, N.,Sienkiewicz, A., Dold, C., Levin, R., Dong, T., Pollard, A.J., Knight, J.C., Klenerman, P., Crook, D.,Lambe, T., Clutterbuck, E., Bibi, S., Flaxman, A., Bittaye, M., Belij-Rammerstorfer, S., Gilbert, S., Hall,D.R., Williams, M.A., Paterson, N.G., James, W., Carroll, M.W., Fry, E.E., Mongkolsapaya, J., Ren, J.,Stuart, D.I., Screaton, G.R.

Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera.

Cell 2021-02-13


7NEH

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab

2021-03-03

7NEG

Crystal structure of the N501Y mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab

2021-03-03


Dejnirattisai W, Zhou D, Ginn HM, Duyvesteyn HME [..] Mongkolsapaya J, Diamond MS, Ren J, Stuart DI, Screaton GR.

The antigenic anatomy of SARS-CoV-2 receptor binding domain

Cell 2021-02-13

7BEI

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-150 Fab

2021-03-03

7BEJ

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 1)

2021-03-03

7BEK

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 2)

2021-03-03

7BEL

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-88 and COVOX-45 Fabs

2021-03-03

7BEH

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-316 Fab

2021-03-03

7BEM

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 scFv

2021-03-03

7BEN

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-253 and COVOX-75 Fabs

2021-03-03

7BEP

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-384 and S309 Fabs

2021-03-03

7BEO

Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-253H55L and COVOX-75 Fabs

2021-03-03

7ND3

EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-40 Fab

2021-03-03

7ND4

EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-88 Fab

2021-03-03

7ND5

EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-150 Fab

2021-03-03

7ND6

EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-40 Fab

2021-03-03

7ND7

EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-316 Fab

2021-03-03

7ND8

EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-384 Fab

2021-03-03

7ND9

EM structure of SARS-CoV-2 Spike glycoprotein (one RBD up) in complex with COVOX-253H55L Fab

2021-03-03

7NDA

EM structure of SARS-CoV-2 Spike glycoprotein (all RBD down) in complex with COVOX-253H55L Fab

2021-03-03

7NDB

EM structure of SARS-CoV-2 Spike glycoprotein in complex with COVOX-253H165L Fab


2021-03-03

7NDC

EM structure of SARS-CoV-2 Spike glycoprotein (all RBD down) in complex with COVOX-159

2021-03-03

7NDD

EM structure of SARS-CoV-2 Spike glycoprotein (one RBD up) in complex with COVOX-159

2021-03-03


[表の見方]
  • 同一論文・投稿 (to be publishedを含む)ごとのリストのため、新規公開エントリーより以前に公開されたエントリーも含まれている場合がある。
  • カラムTitleは、To be publishedの投稿については仮置であり、ジャーナルからの公開時には変更されている可能性がある。
  •  Release Dateのカラムの略号など: "AUTH" = PDBでの"編集処理済、登録者の確認・同意待ち"; "HPUB" = PDBでの"論文発表待ち"; "WAIT" = 編集処理開始, 登録者からの連絡待ち; "REPL" = 登録者より新しい座標を受理、再処理が必要; 公開後に更新されたエントリーについては、リスト作成時点での最終更新日を初回公開日に追記。
  • 2020年9月2日以前に公開された構造については、PDBj Web siteの新型コロナウイルスの構造情報 全エントリー, または, crisp_bioの過去記事「新型コロナウイルスのPDB公開構造一覧 - その6その5その4その3その2その1」参照
  • 2020-09-02日以後、PDBの更新に合わせて新規公開分を原則毎週水曜日に投稿