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4NVI
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BU of 4nvi by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: 3-bromoquinolin-4-amine, Cytochrome c peroxidase, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVC
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BU of 4nvc by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: BENZAMIDINE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVA
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BU of 4nva by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVL
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BU of 4nvl by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: 1-(1H-benzimidazol-1-yl)propan-2-one, Cytochrome c peroxidase, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.432 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVH
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BU of 4nvh by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 3-nitroquinolin-4-amine, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
7XXH
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BU of 7xxh by Molmil
Cryo-EM structure of the purinergic receptor P2Y1R in complex with 2MeSADP and G11
Descriptor: 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), Guanine nucleotide-binding protein G(11) subunit alpha, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Tan, Q, Li, B, Han, S, Zhao, Q, Wu, B.
Deposit date:2022-05-30
Release date:2023-06-07
Last modified:2023-09-20
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural insights into signal transduction of the purinergic receptors P2Y1R and P2Y12R.
Protein Cell, 14, 2023
2EUY
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BU of 2euy by Molmil
Solution structure of the internal loop of human U65 H/ACA snoRNA 3' hairpin
Descriptor: U65 box H/ACA snoRNA
Authors:Feigon, J, Khanna, M, Wu, H, Johansson, C, Caizergues-Ferrer, M.
Deposit date:2005-10-30
Release date:2006-01-03
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural study of the H/ACA snoRNP components Nop10p and the 3' hairpin of U65 snoRNA.
Rna, 12, 2006
4NVB
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BU of 4nvb by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVM
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BU of 4nvm by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(1H-benzimidazol-1-yl)propanamide, Cytochrome c peroxidase, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4NVN
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BU of 4nvn by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one, Cytochrome c peroxidase, PHOSPHATE ION, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
1ZWT
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BU of 1zwt by Molmil
Structure of the globular head domain of the bundlin, BfpA, of the bundle-forming pilus of Enteropathogenic E.coli
Descriptor: Major structural subunit of bundle-forming pilus
Authors:Ramboarina, S, Fernandes, P.J, Daniell, S, Islam, S, Frankel, G, Booy, F, Donnenberg, M.S, Matthews, S.
Deposit date:2005-06-06
Release date:2005-10-04
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Structure of the Bundle-forming Pilus from Enteropathogenic Escherichia coli
J.Biol.Chem., 280, 2005
1EGX
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BU of 1egx by Molmil
SOLUTION STRUCTURE OF THE ENA-VASP HOMOLOGY 1 (EVH1) DOMAIN OF HUMAN VASODILATOR-STIMULATED PHOSPHOPROTEIN (VASP)
Descriptor: VASODILATOR-STIMULATED PHOSPHOPROTEIN
Authors:Ball, L, Kuhne, R, Hoffmann, B, Hafner, A, Schmieder, P, Volkmer-Engert, R, Hof, M, Wahl, M, Schneider-Mergener, J, Walter, U, Oschkinat, H, Jarchau, T.
Deposit date:2000-02-17
Release date:2000-09-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Dual epitope recognition by the VASP EVH1 domain modulates polyproline ligand specificity and binding affinity.
EMBO J., 19, 2000
7YX5
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BU of 7yx5 by Molmil
Structure of the Mimivirus genomic fibre in its relaxed 5-start helix form
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative glucose-methanol-choline oxidoreductase protein
Authors:Villalta, A, Schmitt, A, Estrozi, L.F, Quemin, E.R.J, Alempic, J.M, Lartigue, A, Prazak, V, Belmudes, L, Vasishtan, D, Colmant, A.M.G, Honore, F.A, Coute, Y, Grunewald, K, Abergel, C.
Deposit date:2022-02-15
Release date:2022-08-10
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The giant mimivirus 1.2 Mb genome is elegantly organized into a 30 nm diameter helical protein shield.
Elife, 11, 2022
7YX4
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BU of 7yx4 by Molmil
Structure of the Mimivirus genomic fibre in its compact 5-start helix form
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative glucose-methanol-choline oxidoreductase protein
Authors:Villalta, A, Schmitt, A, Estrozi, L.F, Quemin, E.R.J, Alempic, J.M, Lartigue, A, Prazak, V, Belmudes, L, Vasishtan, D, Colmant, A.M.G, Honore, F.A, Coute, Y, Grunewald, K, Abergel, C.
Deposit date:2022-02-15
Release date:2022-08-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The giant mimivirus 1.2 Mb genome is elegantly organized into a 30 nm diameter helical protein shield.
Elife, 11, 2022
7YX3
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BU of 7yx3 by Molmil
Structure of the Mimivirus genomic fibre in its compact 6-start helix form
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative GMC-type oxidoreductase
Authors:Villalta, A, Schmitt, A, Estrozi, L.F, Quemin, E.R.J, Alempic, J.M, Lartigue, A, Prazak, V, Belmudes, L, Vasishtan, D, Colmant, A.M.G, Honore, F.A, Coute, Y, Grunewald, K, Abergel, C.
Deposit date:2022-02-15
Release date:2022-08-10
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4 Å)
Cite:The giant mimivirus 1.2 Mb genome is elegantly organized into a 30-nm diameter helical protein shield.
Elife, 11, 2022
7Z2B
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BU of 7z2b by Molmil
P. berghei kinesin-8B motor domain in AMPPNP state bound to tubulin dimer
Descriptor: Detyrosinated tubulin alpha-1B chain, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-8, ...
Authors:Liu, T, Shilliday, F, Cook, A.D, Moores, C.A.
Deposit date:2022-02-26
Release date:2022-11-16
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Mechanochemical tuning of a kinesin motor essential for malaria parasite transmission.
Nat Commun, 13, 2022
4W2F
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BU of 4w2f by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with amicoumacin, mRNA and three deacylated tRNAs in the A, P and E sites
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ...
Authors:Polikanov, Y.S, Osterman, I.A, Szal, T, Tashlitsky, V.N, Serebryakova, M.V, Kusochek, P, Bulkley, D, Malanicheva, I.A, Efimenko, T.A, Efremenkova, O.V, Konevega, A.L, Shaw, K.J, Bogdanov, A.A, Rodnina, M.V, Dontsova, O.A, Mankin, A.S, Steitz, T.A, Sergiev, P.V.
Deposit date:2014-09-12
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome.
Mol.Cell, 56, 2014
5HV9
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BU of 5hv9 by Molmil
Human LTC4S mutant-S36E
Descriptor: GLUTATHIONE, Leukotriene C4 synthase, SULFATE ION
Authors:Thulasingam, M, Ahmad, H.R.S, Rinaldo-Matthis, A, Haeggstrom, J.Z.
Deposit date:2016-01-28
Release date:2016-07-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Phosphorylation of Leukotriene C4 Synthase at Serine 36 Impairs Catalytic Activity.
J.Biol.Chem., 291, 2016
3CP1
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BU of 3cp1 by Molmil
Structure of a longer thermalstable core domain of HIV-1 gp41 containing the enfuvirtide resistance mutation N43D
Descriptor: Transmembrane Protein
Authors:Wang, Z.M, Dwyer, J.J.
Deposit date:2008-03-30
Release date:2008-06-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Impact of the enfuvirtide resistance mutation N43D and the associated baseline polymorphism E137K on peptide sensitivity and six-helix bundle structure.
Biochemistry, 47, 2008
8COM
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BU of 8com by Molmil
Structure of the Nucleosome Core Particle from Trypanosoma brucei
Descriptor: Histone H2A, Histone H2B, Histone H3, ...
Authors:Burdett, H, Deak, G, Wilson, M.D.
Deposit date:2023-02-28
Release date:2023-07-12
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Histone divergence in trypanosomes results in unique alterations to nucleosome structure.
Nucleic Acids Res., 51, 2023
6DJ0
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BU of 6dj0 by Molmil
ASLTVS segment from Human Immunoglobulin Light-Chain Variable Domain, Residues 73-78, assembled as an amyloid fibril
Descriptor: ASLTVS segment from Light-Chain Variable Domain, Lambda Mcg
Authors:Brumshtein, B, Esswein, S.R, Sawaya, M.R, Eisenberg, D.S.
Deposit date:2018-05-24
Release date:2018-10-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Identification of two principal amyloid-driving segments in variable domains of Ig light chains in systemic light-chain amyloidosis.
J. Biol. Chem., 293, 2018
7YYO
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BU of 7yyo by Molmil
Cryo-EM structure of an a-carboxysome RuBisCO enzyme at 2.9 A resolution
Descriptor: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, MAGNESIUM ION, Ribulose bisphosphate carboxylase large chain, ...
Authors:Mann, D, Evans, S.L, Bergeron, J.R.C.
Deposit date:2022-02-18
Release date:2023-01-25
Last modified:2023-06-14
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Single-particle cryo-EM analysis of the shell architecture and internal organization of an intact alpha-carboxysome.
Structure, 31, 2023
4W2G
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BU of 4w2g by Molmil
Crystal structure of the Thermus thermophilus 70S ribosome in complex with pactamycin (soaked), mRNA and three deacylated tRNAs in the A, P and E sites
Descriptor: 16S Ribosomal RNA, 23S Ribosomal RNA, 30S Ribosomal Protein S10, ...
Authors:Polikanov, Y.S, Osterman, I.A, Szal, T, Tashlitsky, V.N, Serebryakova, M.V, Kusochek, P, Bulkley, D, Malanicheva, I.A, Efimenko, T.A, Efremenkova, O.V, Konevega, A.L, Shaw, K.J, Bogdanov, A.A, Rodnina, M.V, Dontsova, O.A, Mankin, A.S, Steitz, T.A, Sergiev, P.V.
Deposit date:2014-09-12
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Amicoumacin a inhibits translation by stabilizing mRNA interaction with the ribosome.
Mol.Cell, 56, 2014
5ACA
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BU of 5aca by Molmil
Structure-based energetics of protein interfaces guide Foot-and-Mouth disease virus vaccine design
Descriptor: VP1, VP2, VP3, ...
Authors:Kotecha, A, Seago, J, Scott, K, Burman, A, Loureiro, S, Ren, J, Porta, C, Ginn, H.M, Jackson, T, Perez-Martin, E, Siebert, C.A, Paul, G, Huiskonen, J.T, Jones, I.M, Esnouf, R.M, Fry, E.E, Maree, F.F, Charleston, B, Stuart, D.I.
Deposit date:2015-08-14
Release date:2015-09-23
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure-Based Energetics of Protein Interfaces Guide Foot-and-Mouth Disease Vaccine Design
Nat.Struct.Mol.Biol., 22, 2015
8CG7
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BU of 8cg7 by Molmil
Structure of p53 cancer mutant Y220C with arylation at Cys182 and Cys277
Descriptor: 1,2-ETHANEDIOL, Cellular tumor antigen p53, ZINC ION
Authors:Balourdas, D.I, Pichon, M.M, Baud, M.G.J, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2023-02-03
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structure-Reactivity Studies of 2-Sulfonylpyrimidines Allow Selective Protein Arylation.
Bioconjug.Chem., 34, 2023

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