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5GTH
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BU of 5gth by Molmil
Native XFEL structure of photosystem II (dark dataset)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Shen, J.R.
Deposit date:2016-08-20
Release date:2017-03-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL.
Nature, 543, 2017
6N9Q
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BU of 6n9q by Molmil
Structure of the Quorum Quenching lactonase from Parageobacillus caldoxylosilyticus bind to substrate C4-AHL
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, COBALT (II) ION, ...
Authors:Bergonzi, C, Schwab, M, Elias, M.
Deposit date:2018-12-03
Release date:2019-04-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The Structural Determinants Accounting for the Broad Substrate Specificity of the Quorum Quenching Lactonase GcL.
Chembiochem, 20, 2019
5K32
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BU of 5k32 by Molmil
PDE4D crystal structure in complex with small molecule inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one, MAGNESIUM ION, ...
Authors:Segarra, V, Hernandez, B, Roberts, R, Gracia, J, Soler, M, Bonin, I, Aymami, J.
Deposit date:2016-05-19
Release date:2017-03-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:4-Amino-7,8-dihydro-1,6-naphthyridin-5(6 H)-ones as Inhaled Phosphodiesterase Type 4 (PDE4) Inhibitors: Structural Biology and Structure-Activity Relationships.
J. Med. Chem., 61, 2018
6N9Y
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BU of 6n9y by Molmil
Atomic structure of Non-Structural protein 1 of bluetongue virus
Descriptor: Non-structural protein 1
Authors:Kerviel, A, Ge, P, Lai, M, Jih, J, Boyce, M, Zhang, X, Zhou, Z.H, Roy, P.
Deposit date:2018-12-04
Release date:2019-03-13
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Atomic structure of the translation regulatory protein NS1 of bluetongue virus.
Nat Microbiol, 4, 2019
8HJ9
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BU of 8hj9 by Molmil
cryoEM structure of glutamate dehydrogenase from Thermococcus profundus in complex with NADP
Descriptor: Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wakabayashi, T, Oide, M, Kato, T, Nakasako, M.
Deposit date:2022-11-22
Release date:2023-02-08
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.12 Å)
Cite:Coenzyme-binding pathway on glutamate dehydrogenase suggested from multiple-binding sites visualized by cryo-electron microscopy.
Febs J., 290, 2023
8HJ3
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BU of 8hj3 by Molmil
cryoEM structure of glutamate dehydrogenase from Thermococcus profundus in complex with NADP
Descriptor: Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wakabayashi, T, Oide, M, Kato, T, Nakasako, M.
Deposit date:2022-11-22
Release date:2023-02-08
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Coenzyme-binding pathway on glutamate dehydrogenase suggested from multiple-binding sites visualized by cryo-electron microscopy.
Febs J., 290, 2023
8HHO
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BU of 8hho by Molmil
cryoEM structure of glutamate dehydrogenase from Thermococcus profundus in complex with NADP
Descriptor: Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wakabayashi, T, Oide, M, Kato, T, Nakasako, M.
Deposit date:2022-11-16
Release date:2023-02-08
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Coenzyme-binding pathway on glutamate dehydrogenase suggested from multiple-binding sites visualized by cryo-electron microscopy.
Febs J., 290, 2023
8HIQ
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BU of 8hiq by Molmil
cryoEM structure of glutamate dehydrogenase from Thermococcus profundus in complex with NADP
Descriptor: Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wakabayashi, T, Oide, M, Kato, T, Nakasako, M.
Deposit date:2022-11-21
Release date:2023-02-08
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Coenzyme-binding pathway on glutamate dehydrogenase suggested from multiple-binding sites visualized by cryo-electron microscopy.
Febs J., 290, 2023
8HIZ
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BU of 8hiz by Molmil
cryoEM structure of glutamate dehydrogenase from Thermococcus profundus in complex with NADP
Descriptor: Glutamate dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wakabayashi, T, Oide, M, Kato, T, Nakasako, M.
Deposit date:2022-11-22
Release date:2023-02-08
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Coenzyme-binding pathway on glutamate dehydrogenase suggested from multiple-binding sites visualized by cryo-electron microscopy.
Febs J., 290, 2023
5N13
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BU of 5n13 by Molmil
Second Bromodomain (BD2) from Candida albicans Bdf1 in the unbound form
Descriptor: Bromodomain-containing factor 1, GLYCEROL
Authors:Mietton, F, Ferri, E, Champlebouxm, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvel, M, d'Enfert, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
Deposit date:2017-02-04
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5N17
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BU of 5n17 by Molmil
First Bromodomain (BD1) from Candida albicans Bdf1 bound to a dibenzothiazepinone (compound 3)
Descriptor: (2~{S})-~{N}-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)oxolane-2-carboxamide, Bromodomain-containing factor 1, SULFATE ION
Authors:Mietton, F, Ferri, E, Champleboux, M, Zala, N, Maubon, D, Zhou, Y, Harbut, M, Spittler, D, Garnaud, C, Courcon, M, Chauvon, M, d'Enfer, C, Kashemirov, B.A, Hull, M, Cornet, M, McKenna, C.E, Govin, J, Petosa, C.
Deposit date:2017-02-05
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Selective BET bromodomain inhibition as an antifungal therapeutic strategy.
Nat Commun, 8, 2017
5NAJ
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BU of 5naj by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-1]-[ProM-1]-OH
Descriptor: (3~{S},7~{R},10~{R},13~{S})-4-[[(3~{R},7~{S},10~{S},13~{R})-4-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, (3~{S},7~{R},10~{R},13~{S})-4-[[(3~{S},7~{R},10~{R},13~{S})-4-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-en-13-yl]carbonyl]-2-oxidanylidene-1,4-diazatricyclo[8.3.0.0^{3,7}]tridec-8-ene-13-carboxylic acid, CHLORIDE ION, ...
Authors:Barone, M, Roske, Y.
Deposit date:2017-02-28
Release date:2017-05-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5NBF
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BU of 5nbf by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-3]-OH
Descriptor: (3~{S},6~{S},7~{R},9~{a}~{R})-6-[[(3~{S},6~{R},8~{a}~{S})-1'-[(2~{S})-2-acetamido-3-(2-chlorophenyl)propanoyl]-5-oxidanylidene-spiro[1,2,3,8~{a}-tetrahydroindolizine-6,2'-pyrrolidine]-3-yl]carbonylamino]-7-methyl-5-oxidanylidene-1,2,3,6,7,9~{a}-hexahydropyrrolo[1,2-a]azepine-3-carboxylic acid, NITRATE ION, Protein enabled homolog, ...
Authors:Barone, M, Roske, Y.
Deposit date:2017-03-01
Release date:2017-05-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
8OFK
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BU of 8ofk by Molmil
Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under reducing conditions (space group C 2 2 21)
Descriptor: 1,2-ETHANEDIOL, 8-AZAXANTHINE, CHLORIDE ION, ...
Authors:Di Palma, M, Chegkazi, M, Bui, S, Mori, G, Percudani, R, Steiner, R.A.
Deposit date:2023-03-15
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.713 Å)
Cite:Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism.
Mol.Biol.Evol., 40, 2023
4R15
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BU of 4r15 by Molmil
High-resolution crystal structure of Z-DNA in complex with Cr3+ cations
Descriptor: CHROMIUM ION, DNA (5'-D(*CP*GP*CP*GP*CP*G)-3')
Authors:Drozdzal, P, Gilski, M, Kierzek, R, Lomozik, L, Jaskolski, M.
Deposit date:2014-08-04
Release date:2015-03-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:High-resolution crystal structure of Z-DNA in complex with Cr(3+) cations.
J.Biol.Inorg.Chem., 20, 2015
7AXO
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BU of 7axo by Molmil
Structure of SARS-CoV-2 Main Protease bound to AR-42.
Descriptor: 3C-like proteinase, AR-42, DIMETHYL SULFOXIDE
Authors:Ewert, W, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, 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, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, 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, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-11-10
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
8OIH
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BU of 8oih by Molmil
Crystal structure of the cysteine-rich Gallus gallus urate oxidase in complex with the 8-azaxanthine inhibitor under oxidising conditions (space group C 2 2 21)
Descriptor: 1,2-ETHANEDIOL, 8-AZAXANTHINE, BROMIDE ION, ...
Authors:Di Palma, M, Chegkazi, M, Bui, S, Mori, G, Percudani, R, Steiner, R.A.
Deposit date:2023-03-22
Release date:2024-01-17
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Cysteine Enrichment Mediates Co-Option of Uricase in Reptilian Skin and Transition to Uricotelism.
Mol.Biol.Evol., 40, 2023
7AWW
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BU of 7aww by Molmil
Structure of SARS-CoV-2 Main Protease bound to Clonidine
Descriptor: 2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, 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, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, 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, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-11-09
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
6NB5
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BU of 6nb5 by Molmil
Crystal structure of anti- MERS-CoV human neutralizing LCA60 antibody Fab fragment
Descriptor: LCA60 antigen-binding (Fab) fragment, heavy chain, light chain
Authors:Walls, A.J, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, J, Quispe, J, Cameroni, E, Gopal, R, Dai, M, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-12-06
Release date:2019-02-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3 Å)
Cite:Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
7AQI
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BU of 7aqi by Molmil
Structure of SARS-CoV-2 Main Protease bound to Ifenprodil
Descriptor: 3C-like proteinase, 4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol, DIMETHYL SULFOXIDE, ...
Authors:Koua, F, Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Ewert, W, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, 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, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-10-21
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AR5
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BU of 7ar5 by Molmil
Structure of apo SARS-CoV-2 Main Protease with small beta angle, space group C2.
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, 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, Paulraj, L.X, Ullah, N, Andaleeb, H, Werner, N, Falke, S, Hinrichs, W, Alves Franca, B, Schwinzer, M, Brognaro, H, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Boger, J, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-10-23
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
8OQ5
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BU of 8oq5 by Molmil
AApoAII amyloid fibril Morphology I (ex vivo)
Descriptor: Apolipoprotein A-II
Authors:Andreotti, G, Schmidt, M, Faendrich, M.
Deposit date:2023-04-11
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Insights into the Structural Basis of Amyloid Resistance Provided by Cryo-EM Structures of AApoAII Amyloid Fibrils.
J.Mol.Biol., 436, 2024
8OQ4
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BU of 8oq4 by Molmil
AApoAII amyloid fibril Morphology II (ex vivo)
Descriptor: Apolipoprotein A-II
Authors:Andreotti, G, Schmidt, M, Faendrich, M.
Deposit date:2023-04-11
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Insights into the Structural Basis of Amyloid Resistance Provided by Cryo-EM Structures of AApoAII Amyloid Fibrils.
J.Mol.Biol., 436, 2024
7AF0
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BU of 7af0 by Molmil
Structure of SARS-CoV-2 Main Protease bound to Ipidacrine.
Descriptor: 2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine, 3C-like proteinase, CHLORIDE ION, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, 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, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, 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, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-09-18
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7APH
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BU of 7aph by Molmil
Structure of SARS-CoV-2 Main Protease bound to Tofogliflozin.
Descriptor: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S, Reinke, P, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, 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, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, 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, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2020-10-16
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021

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