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7ADW
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BU of 7adw by Molmil
Structure of SARS-CoV-2 Main Protease bound to 2,4'-Dimethylpropiophenone.
Descriptor: 2-methyl-1-(4-methylphenyl)propan-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:2020-09-16
Release date:2020-12-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7B83
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BU of 7b83 by Molmil
Structure of SARS-CoV-2 Main Protease bound to pyrithione zinc
Descriptor: 3C-like proteinase, 9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene, 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:2020-12-12
Release date:2021-01-13
Last modified:2024-01-31
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
3V4A
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BU of 3v4a by Molmil
Structure of ar lbd with activator peptide and sarm inhibitor 2
Descriptor: (5R)-3-(3,4-dichlorophenyl)-5-(4-hydroxyphenyl)-1,5-dimethyl-2-thioxoimidazolidin-4-one, Androgen receptor, SULFATE ION
Authors:Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P.
Deposit date:2011-12-14
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Discovery of diarylhydantoins as new selective androgen receptor modulators.
J.Med.Chem., 55, 2012
3V49
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BU of 3v49 by Molmil
Structure of ar lbd with activator peptide and sarm inhibitor 1
Descriptor: 4-[(4R)-4-(4-hydroxyphenyl)-3,4-dimethyl-2,5-dioxoimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, activator peptide, ...
Authors:Nique, F, Hebbe, S, Peixoto, C, Annoot, D, Lefrancois, J.-M, Duval, E, Michoux, L, Triballeau, N, Lemoullec, J.-M, Mollat, P, Thauvin, M, Prange, T, Minet, D, Clement-Lacroix, P, Robin-Jagerschmidt, C, Fleury, D, Guedin, D, Deprez, P.
Deposit date:2011-12-14
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of diarylhydantoins as new selective androgen receptor modulators.
J.Med.Chem., 55, 2012
9QZT
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BU of 9qzt by Molmil
Room temperature structure of Glycine max phyA in Pfr/Pr ensemble
Descriptor: PHYCOCYANOBILIN, Phytochrome A-2
Authors:Nagano, S, Hughes, J.
Deposit date:2025-04-24
Release date:2025-06-04
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Pr and Pfr structures of plant phytochrome A.
Nat Commun, 16, 2025
4FE1
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BU of 4fe1 by Molmil
Improving the Accuracy of Macromolecular Structure Refinement at 7 A Resolution
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, BETA-CAROTENE, ...
Authors:Fromme, R, Adams, P.D, Fromme, P, Levitt, M, Schroeder, G.F, Brunger, A.T.
Deposit date:2012-05-29
Release date:2012-08-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (4.9228 Å)
Cite:Improving the accuracy of macromolecular structure refinement at 7 A resolution.
Structure, 20, 2012
9F4I
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BU of 9f4i by Molmil
Room temperature structure of Glycine max phyA in Pfr
Descriptor: PHYCOCYANOBILIN, Phytochrome A-2
Authors:Nagano, S, Hughes, J.
Deposit date:2024-04-28
Release date:2025-01-08
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Pr and Pfr structures of plant phytochrome A.
Nat Commun, 16, 2025
9ER4
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BU of 9er4 by Molmil
Room temperature structure of Glycine max phyA in Pr
Descriptor: PHYCOCYANOBILIN, Phytochrome A-2
Authors:Nagano, S.
Deposit date:2024-03-22
Release date:2025-01-08
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Pr and Pfr structures of plant phytochrome A.
Nat Commun, 16, 2025
5JDP
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BU of 5jdp by Molmil
E73V mutant of the human voltage-dependent anion channel
Descriptor: Voltage-dependent anion-selective channel protein 1
Authors:Jaremko, M, Jaremko, L, Villinger, S, Schmidt, C, Giller, K, Griesinger, C, Becker, S, Zweckstetter, M.
Deposit date:2016-04-17
Release date:2016-08-10
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:High-Resolution NMR Determination of the Dynamic Structure of Membrane Proteins.
Angew.Chem.Int.Ed.Engl., 55, 2016
8R44
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BU of 8r44 by Molmil
PAS-GAF bidomain of Glycine max phytochrome A
Descriptor: DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, PHYCOCYANOBILIN, ...
Authors:Guan, K, Nagano, S, Hughes, J.
Deposit date:2023-11-13
Release date:2025-01-08
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Pr and Pfr structures of plant phytochrome A.
Nat Commun, 16, 2025
8R45
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BU of 8r45 by Molmil
Phytochromobilin-adducted PAS-GAF bidomain of Glycine max phytochrome A
Descriptor: 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome A-2, TETRAETHYLENE GLYCOL
Authors:Guan, K, Chen, P, Nagano, S, Hughes, J.
Deposit date:2023-11-13
Release date:2025-01-08
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Pr and Pfr structures of plant phytochrome A.
Nat Commun, 16, 2025
9GXB
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BU of 9gxb by Molmil
Room temperature structure of FAD-containing ferrodoxin-NADP reductase from Brucella ovis at EuXFEL
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, ferredoxin--NADP(+) reductase
Authors:Martinez-Julvez, M, Martin-Garcia, J.M, Medina, M.
Deposit date:2024-09-29
Release date:2024-11-27
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:New insights into the function and molecular mechanisms of Ferredoxin-NADP + reductase from Brucella ovis.
Arch.Biochem.Biophys., 762, 2024
9GXC
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BU of 9gxc by Molmil
Room temperature structure of FAD-containing ferrodoxin-NADP reductase from Brucella ovis at LCLS
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, ferredoxin--NADP(+) reductase
Authors:Martinez-Julvez, M, Martin-Garcia, J.M, Medina, M.
Deposit date:2024-09-29
Release date:2024-11-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:New insights into the function and molecular mechanisms of Ferredoxin-NADP + reductase from Brucella ovis.
Arch.Biochem.Biophys., 762, 2024
7Z2K
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BU of 7z2k by Molmil
Crystal structure of SARS-CoV-2 Main Protease in orthorhombic space group p212121
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2022-02-28
Release date:2023-03-22
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:SARS-CoV-2 M pro responds to oxidation by forming disulfide and NOS/SONOS bonds.
Nat Commun, 15, 2024
9F2K
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BU of 9f2k by Molmil
Myo-inositol-1-phosphate synthase from Thermochaetoides thermophila in complex with NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, inositol-3-phosphate synthase
Authors:Traeger, T.K, Kyrilis, F.L, Hamdi, F, Kastritis, P.L.
Deposit date:2024-04-23
Release date:2024-08-14
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (2.48 Å)
Cite:Disorder-to-order active site capping regulates the rate-limiting step of the inositol pathway.
Proc.Natl.Acad.Sci.USA, 121, 2024
6ENY
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BU of 6eny by Molmil
Structure of the human PLC editing module
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, Calreticulin, ...
Authors:Trowitzsch, S, Januliene, D, Blees, A, Moeller, A, Tampe, R.
Deposit date:2017-10-07
Release date:2017-11-29
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Structure of the human MHC-I peptide-loading complex.
Nature, 551, 2017
4BWD
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BU of 4bwd by Molmil
Human short coiled coil protein
Descriptor: SHORT COILED-COIL PROTEIN
Authors:Behrens, C, Binotti, B, Chua, J.J, Kuhnel, K.
Deposit date:2013-07-01
Release date:2013-09-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:Crystal Structure of the Human Short Coiled Coil Protein and Insights Into Scoc-Fez1 Complex Formation.
Plos One, 8, 2013
6R7I
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BU of 6r7i by Molmil
Structural basis of Cullin-2 RING E3 ligase regulation by the COP9 signalosome
Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
Authors:Faull, S.F, Lau, A.M.C, Beuron, F, Cronin, N.B, Morris, E.P, Politis, A.
Deposit date:2019-03-28
Release date:2019-08-28
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (5.9 Å)
Cite:Structural basis of Cullin 2 RING E3 ligase regulation by the COP9 signalosome.
Nat Commun, 10, 2019
6R6H
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BU of 6r6h by Molmil
Structural basis of Cullin-2 RING E3 ligase regulation by the COP9 signalosome
Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
Authors:Morris, E.P, Faull, S.V, Lau, A.M.C, Politis, A, Beuron, F, Cronin, N.
Deposit date:2019-03-27
Release date:2019-08-28
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (8.4 Å)
Cite:Structural basis of Cullin 2 RING E3 ligase regulation by the COP9 signalosome.
Nat Commun, 10, 2019
6R7H
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BU of 6r7h by Molmil
Structural basis of Cullin-2 RING E3 ligase regulation by the COP9 signalosome
Descriptor: COP9 signalosome complex subunit 1, COP9 signalosome complex subunit 2, COP9 signalosome complex subunit 3, ...
Authors:Faull, S.V, Lau, A.M.C, Beuron, F, Cronin, N.B, Morris, E.P, Politis, A.
Deposit date:2019-03-28
Release date:2019-08-28
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (8.8 Å)
Cite:Structural basis of Cullin 2 RING E3 ligase regulation by the COP9 signalosome.
Nat Commun, 10, 2019
6QVP
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BU of 6qvp by Molmil
Crystal structure of the peptidoglycan-binding domain of SiiA from Salmonella enterica
Descriptor: Inner membrane protein, PHOSPHATE ION
Authors:Kirchweger, P, Muller, Y.A.
Deposit date:2019-03-04
Release date:2019-08-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional characterization of SiiA, an auxiliary protein from the SPI4-encoded type 1 secretion system from Salmonella enterica.
Mol.Microbiol., 112, 2019
6H60
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BU of 6h60 by Molmil
pseudo-atomic structural model of the E3BP component of the human pyruvate dehydrogenase multienzyme complex
Descriptor: Pyruvate dehydrogenase protein X component, mitochondrial
Authors:Haselbach, D, Prajapati, S, Tittmann, K, Stark, H.
Deposit date:2018-07-25
Release date:2019-06-05
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Structural and Functional Analyses of the Human PDH Complex Suggest a "Division-of-Labor" Mechanism by Local E1 and E3 Clusters.
Structure, 27, 2019
6H55
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BU of 6h55 by Molmil
core of the human pyruvate dehydrogenase (E2)
Descriptor: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial
Authors:Haselbach, D, Prajapati, S, Tittmann, K, Stark, H.
Deposit date:2018-07-23
Release date:2019-06-05
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Structural and Functional Analyses of the Human PDH Complex Suggest a "Division-of-Labor" Mechanism by Local E1 and E3 Clusters.
Structure, 27, 2019
6HD7
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BU of 6hd7 by Molmil
Cryo-EM structure of the ribosome-NatA complex
Descriptor: 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, 5.8S rRNA, 5S rRNA, ...
Authors:Knorr, A.G, Becker, T, Beckmann, R.
Deposit date:2018-08-17
Release date:2018-12-19
Last modified:2025-07-09
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Ribosome-NatA architecture reveals that rRNA expansion segments coordinate N-terminal acetylation.
Nat. Struct. Mol. Biol., 26, 2019
6HD5
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BU of 6hd5 by Molmil
Cryo-EM structure of the ribosome-NatA complex
Descriptor: N-alpha-acetyltransferase NAT5, N-terminal acetyltransferase A complex catalytic subunit ARD1, N-terminal acetyltransferase A complex subunit NAT1
Authors:Knorr, A.G, Becker, T, Beckmann, R.
Deposit date:2018-08-17
Release date:2018-12-19
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Ribosome-NatA architecture reveals that rRNA expansion segments coordinate N-terminal acetylation.
Nat. Struct. Mol. Biol., 26, 2019

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