Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
Search by PDB author
7NS7
DownloadVisualize
BU of 7ns7 by Molmil
Human L-alanine:glyoxylate aminotransferase minor allele variant: AGXT-Mi (P11L-I340M)
Descriptor: L-alanine:glyoxylate aminotransferase
Authors:Cellini, B, Dindo, M.
Deposit date:2021-03-05
Release date:2022-03-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural dynamics shape the fitness window of alanine:glyoxylate aminotransferase.
Protein Sci., 31, 2022
6SJ5
DownloadVisualize
BU of 6sj5 by Molmil
Crystal structure of the uL14-RsfS complex from Staphylococcus aureus
Descriptor: 50S ribosomal protein L14, ACETIC ACID, PHOSPHATE ION, ...
Authors:Fatkhullin, B, Gabdulkhakov, A, Yusupova, G, Yusupov, M.
Deposit date:2019-08-12
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.26686549 Å)
Cite:Mechanism of ribosome shutdown by RsfS in Staphylococcus aureus revealed by integrative structural biology approach.
Nat Commun, 11, 2020
8BXA
DownloadVisualize
BU of 8bxa by Molmil
Crystal structure of ribosome binding factor A (RbfA) from S. aureus
Descriptor: Ribosome-binding factor A
Authors:Fatkhullin, B, Bikmullin, A, Gabdulkhakov, A, Khusainov, I, Validov, S, Usachev, K, Yusupov, M.
Deposit date:2022-12-08
Release date:2023-02-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Yet Another Similarity between Mitochondrial and Bacterial Ribosomal Small Subunit Biogenesis Obtained by Structural Characterization of RbfA from S. aureus.
Int J Mol Sci, 24, 2023
6SQ8
DownloadVisualize
BU of 6sq8 by Molmil
Structure of amide bond synthetase McbA from Marinactinospora thermotolerans
Descriptor: 1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid, ADENOSINE MONOPHOSPHATE, Fatty acid CoA ligase
Authors:Rowlinson, B, Petchey, M, Grogan, G.
Deposit date:2019-09-03
Release date:2020-04-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Biocatalytic Synthesis of Moclobemide Using the Amide Bond Synthetase McbA Coupled with an ATP Recycling System.
Acs Catalysis, 10, 2020
6H1B
DownloadVisualize
BU of 6h1b by Molmil
Structure of amide bond synthetase Mcba K483A mutant from Marinactinospora thermotolerans
Descriptor: 1-ethanoyl-9~{H}-pyrido[3,4-b]indole-3-carboxylic acid, ADENOSINE MONOPHOSPHATE, Fatty acid CoA ligase
Authors:Rowlinson, B, Petchey, M, Cuetos, A, Frese, A, Dannevald, S, Grogan, G.
Deposit date:2018-07-11
Release date:2018-09-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The Broad Aryl Acid Specificity of the Amide Bond Synthetase McbA Suggests Potential for the Biocatalytic Synthesis of Amides.
Angew. Chem. Int. Ed. Engl., 57, 2018
8AYF
DownloadVisualize
BU of 8ayf by Molmil
Crystal structure of human Sphingosine-1-phosphate lyase 1
Descriptor: ACETATE ION, GLYCEROL, Sphingosine-1-phosphate lyase 1
Authors:Giardina, G, Catalano, F, Pampalone, G, Cellini, B.
Deposit date:2022-09-02
Release date:2023-09-13
Last modified:2024-01-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Dual species sphingosine-1-phosphate lyase inhibitors to combine antifungal and anti-inflammatory activities in cystic fibrosis: a feasibility study.
Sci Rep, 13, 2023
2YHE
DownloadVisualize
BU of 2yhe by Molmil
Structure determination of the stereoselective inverting sec- alkylsulfatase Pisa1 from Pseudomonas sp.
Descriptor: SEC-ALKYL SULFATASE, SULFATE ION, ZINC ION
Authors:Kepplinger, B, Faber, K, Macheroux, P, Schober, M, Knaus, T, Wagner, U.G.
Deposit date:2011-04-29
Release date:2012-05-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure and Mechanism of an Inverting Alkylsulfatase from Pseudomonas Sp. Dsm6611 Specific for Secondary Alkylsulfates.
FEBS J., 279, 2012
6XLQ
DownloadVisualize
BU of 6xlq by Molmil
Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the CTX-2026 Fab
Descriptor: Butyrophilin subfamily 3 member A1, CTX-2026 Heavy Chain, CTX-2026 Light Chain
Authors:Payne, K.K, Mine, J.A, Biswas, S, Chaurio, R.A, Perales-Puchalt, A, Anadon, C.M, Costich, T.L, Harro, C.M, Walrath, J, Ming, Q, Tcyganov, E, Buras, A.L, Rigolizzo, K.E, Mandal, G, Lajoie, J, Ophir, M, Tchou, J, Marchion, D, Luca, V.C, Bobrowicz, P, McLaughlin, B, Eskiocak, U, Schmidt, M, Cubillos-Ruiz, J.R, Rodriguez, P.C, Gabrilovich, D.I, Conejo-Garcia, J.R.
Deposit date:2020-06-29
Release date:2020-09-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:BTN3A1 governs antitumor responses by coordinating alpha beta and gamma delta T cells.
Science, 369, 2020
7NEV
DownloadVisualize
BU of 7nev by Molmil
Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin
Descriptor: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors: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.
Deposit date:2021-02-05
Release date:2021-03-03
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
5AHA
DownloadVisualize
BU of 5aha by Molmil
Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II)
Descriptor: (3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE
Authors:Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J.
Deposit date:2015-02-05
Release date:2015-05-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II).
J.Med.Chem., 58, 2015
5HHY
DownloadVisualize
BU of 5hhy by Molmil
Structure of human Alanine:Glyoxylate Aminotransferase major allele (AGT-Ma) showing X-Ray induced reduction of PLP internal aldimine to 4'-deoxy-piridoxine-phosphate (PLR)
Descriptor: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Serine--pyruvate aminotransferase
Authors:Giardina, G, Cutruzzola, F, Borri Voltattorni, C, Cellini, B, Montioli, R.
Deposit date:2016-01-11
Release date:2017-01-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Radiation damage at the active site of human alanine:glyoxylate aminotransferase reveals that the cofactor position is finely tuned during catalysis.
Sci Rep, 7, 2017
5CO5
DownloadVisualize
BU of 5co5 by Molmil
Crystal structure of Ac-AChBP in complex with conotoxin GIC
Descriptor: Alpha-conotoxin GIC, Soluble acetylcholine receptor
Authors:Wang, X.Q, Xu, M.Y, Luo, S.L, Lin, B.
Deposit date:2015-07-19
Release date:2016-07-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Ac-AChBP in complex with conotoxin GIC
To Be Published
8BYV
DownloadVisualize
BU of 8byv by Molmil
Cryo-EM structure of a Staphylococus aureus 30S-RbfA complex
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Bikmullin, A.G, Fatkhullin, B, Stetsenko, A, Guskov, A, Yusupov, M.
Deposit date:2022-12-14
Release date:2023-12-27
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Yet Another Similarity between Mitochondrial and Bacterial Ribosomal Small Subunit Biogenesis Obtained by Structural Characterization of RbfA from S. aureus.
Int J Mol Sci, 24, 2023
5IPI
DownloadVisualize
BU of 5ipi by Molmil
Structure of Adeno-associated virus type 2 VLP
Descriptor: Capsid protein VP1
Authors:Drouin, L.M, Lins, B, Janssen, M.E, Bennet, A, Chipman, P, McKenna, R, Chen, W, Muzyczka, N, Cardone, G, Baker, T.S, Agbandje-McKenna, M.
Deposit date:2016-03-09
Release date:2016-07-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Cryo-electron Microscopy Reconstruction and Stability Studies of the Wild Type and the R432A Variant of Adeno-associated Virus Type 2 Reveal that Capsid Structural Stability Is a Major Factor in Genome Packaging.
J.Virol., 90, 2016
5IPK
DownloadVisualize
BU of 5ipk by Molmil
Structure of the R432A variant of Adeno-associated virus type 2 VLP
Descriptor: Capsid protein VP1
Authors:Drouin, L.M, Lins, B, Janssen, M.E, Bennet, A, Chipman, P, McKenna, R, Chen, W, Muzyczka, N, Cardone, G, Baker, T.S, Agbandje-McKenna, M.
Deposit date:2016-03-09
Release date:2016-07-20
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-electron Microscopy Reconstruction and Stability Studies of the Wild Type and the R432A Variant of Adeno-associated Virus Type 2 Reveal that Capsid Structural Stability Is a Major Factor in Genome Packaging.
J.Virol., 90, 2016
6YNQ
DownloadVisualize
BU of 6ynq by Molmil
Structure of SARS-CoV-2 Main Protease bound to 2-Methyl-1-tetralone.
Descriptor: (2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one, 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:2020-04-14
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
6YVF
DownloadVisualize
BU of 6yvf by Molmil
Structure of SARS-CoV-2 Main Protease bound to AZD6482.
Descriptor: 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, 3C-like proteinase, CALCIUM 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:2020-04-28
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7ABU
DownloadVisualize
BU of 7abu by Molmil
Structure of SARS-CoV-2 Main Protease bound to RS102895
Descriptor: 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 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:2020-09-08
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
6Q8P
DownloadVisualize
BU of 6q8p by Molmil
Structure of CLK1 with bound N-methyl-10-nitropyrido[3,4-g]quinazolin-2-amine
Descriptor: Dual specificity protein kinase CLK1, POTASSIUM ION, ~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine
Authors:Joerger, A.C, Chatterjee, D, Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Josselin, B, Baratte, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-12-15
Release date:2019-02-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166, 2019
6Q8K
DownloadVisualize
BU of 6q8k by Molmil
CLK1 with bound pyridoquinazoline
Descriptor: 1,2-ETHANEDIOL, Dual specificity protein kinase CLK1, ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
Authors:Schroeder, M, Tazarki, H, Zeinyeh, W, Esvan, Y.J, Khiari, J, Joesselin, B, Bach, S, Ruchaud, S, Anizon, F, Giraud, F, Moreau, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2018-12-14
Release date:2019-02-20
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:New pyrido[3,4-g]quinazoline derivatives as CLK1 and DYRK1A inhibitors: synthesis, biological evaluation and binding mode analysis.
Eur J Med Chem, 166, 2019
6E8R
DownloadVisualize
BU of 6e8r by Molmil
Structure of the SNX32 PX domain in complex with Chlamydial protein IncE in space group I121
Descriptor: IncE, Sorting nexin-32
Authors:Paul, B, Collins, B.
Deposit date:2018-07-31
Release date:2018-09-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.268 Å)
Cite:Crystal structure of the SNX32 PX domain in complex with the Chlamydia trachomatis inclusion protein IncE
To be Published
6GWJ
DownloadVisualize
BU of 6gwj by Molmil
Human OSGEP / LAGE3 / GON7 complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, EKC/KEOPS complex subunit GON7, ...
Authors:Missoury, S, Liger, D, Durand, D, Collinet, B, Tilbeurgh, V.H.
Deposit date:2018-06-25
Release date:2019-07-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Defects in t 6 A tRNA modification due to GON7 and YRDC mutations lead to Galloway-Mowat syndrome.
Nat Commun, 10, 2019
6RK3
DownloadVisualize
BU of 6rk3 by Molmil
Solution structure of the ribosome Elongation Factor P (EF-P) from Staphylococcus aureus
Descriptor: Elongation factor P
Authors:Usachev, K, Fatkhullin, B, Gabdulkhakov, A, Khusainov, I, Golubev, A, Validov, S, Yusupova, G, Yusupov, M.
Deposit date:2019-04-30
Release date:2020-03-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR and crystallographic structural studies of the Elongation factor P from Staphylococcus aureus.
Eur.Biophys.J., 49, 2020
7AWS
DownloadVisualize
BU of 7aws by Molmil
Structure of SARS-CoV-2 Main Protease bound to TH-302.
Descriptor: 3C-like proteinase, 5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine, 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:2020-11-09
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7AXM
DownloadVisualize
BU of 7axm by Molmil
Structure of SARS-CoV-2 Main Protease bound to Pelitinib
Descriptor: (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide, 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 (1.4 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021

222624

数据于2024-07-17公开中

PDB statisticsPDBj update infoContact PDBjnumon