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4IXX
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BU of 4ixx by Molmil
Crystal structure of S213G variant DAH7PS without Tyr bound from Neisseria meningitidis
Descriptor: 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase, MANGANESE (II) ION, SULFATE ION
Authors:Cross, P.J, Pietersma, A.L, Allison, T.M, Wilson-Coutts, S.M, Cochrane, F.C, Parker, E.J.
Deposit date:2013-01-28
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Neisseria meningitidis expresses a single 3-deoxy-d-arabino-heptulosonate 7-phosphate synthase that is inhibited primarily by phenylalanine.
Protein Sci., 22, 2013
4IPM
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BU of 4ipm by Molmil
Crystal structure of a GH7 family cellobiohydrolase from Limnoria quadripunctata in complex with thiocellobiose
Descriptor: ACETATE ION, CALCIUM ION, GH7 family protein, ...
Authors:McGeehan, J.E, Martin, R.N.A, Streeter, S.D, Cragg, S.M, Guille, M.J, Schnorr, K.M, Kern, M, Bruce, N.C, McQueen-Mason, S.J.
Deposit date:2013-01-10
Release date:2013-06-12
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Structural characterization of a unique marine animal family 7 cellobiohydrolase suggests a mechanism of cellulase salt tolerance.
Proc.Natl.Acad.Sci.USA, 110, 2013
4IVZ
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BU of 4ivz by Molmil
A Y37F mutant of C.Esp1396I bound to its highest affinity operator site OM
Descriptor: DNA (5'-D(*AP*TP*GP*TP*AP*GP*AP*CP*TP*AP*TP*AP*GP*TP*CP*GP*AP*CP*A)-3'), DNA (5'-D(*TP*TP*GP*TP*CP*GP*AP*CP*TP*AP*TP*AP*GP*TP*CP*TP*AP*CP*A)-3'), Regulatory protein
Authors:Martin, R.N.A, McGeehan, J.E, Kneale, G.G.
Deposit date:2013-01-23
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and Mutagenic Analysis of the RM Controller Protein C.Esp1396I.
Plos One, 9, 2014
4J9H
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BU of 4j9h by Molmil
Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH 8
Descriptor: P7, SULFATE ION, Tyrosine-protein kinase ABL1
Authors:Camara-Artigas, A.
Deposit date:2013-02-16
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7
To be Published
4J75
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BU of 4j75 by Molmil
Crystal Structure of a parasite tRNA synthetase, product-bound
Descriptor: GLYCEROL, TRYPTOPHANYL-5'AMP, Tryptophanyl-tRNA synthetase
Authors:Koh, C.Y, Kim, J.E, Verlinde, C.L.M.J, Hol, W.G.J.
Deposit date:2013-02-12
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of Plasmodium falciparum cytosolic tryptophanyl-tRNA synthetase and its potential as a target for structure-guided drug design.
Mol.Biochem.Parasitol., 189, 2013
4J9G
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BU of 4j9g by Molmil
Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH7
Descriptor: GLYCEROL, P7, SULFATE ION, ...
Authors:Camara-Artigas, A.
Deposit date:2013-02-16
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7
To be Published
4JB1
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BU of 4jb1 by Molmil
Crystal structure of P. aeruginosa MurB in complex with NADP+
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Chen, M.W, Lohkamp, B, Schnell, R, Lescar, J, Schneider, G.
Deposit date:2013-02-19
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Substrate Channel Flexibility in Pseudomonas aeruginosa MurB Accommodates Two Distinct Substrates.
Plos One, 8, 2013
1YJ6
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BU of 1yj6 by Molmil
crystal structure of human glutathione S-transferase M1A-1A complexed with glutathionyl-zinc-trihydroxide
Descriptor: GLUTATHIONE, Glutathione S-transferase Mu 1, ZINC ION
Authors:Patskovsky, Y.V, Patskovska, L.N, Listowsky, I, Almo, S.C.
Deposit date:2005-01-13
Release date:2005-02-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Human Glutathione S-Transferase M1A-1A Catalyzes Formation of Gsh-Metal Complexes
To be Published
8B7Q
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BU of 8b7q by Molmil
Cryo-EM structure for the mouse LEPR-CRH2:Leptin:LEPR-Ig complex following symmetry expansion in combination with local refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Leptin, Leptin receptor
Authors:Verstraete, K, Savvides, S.N, Verschueren, K.G, Tsirigotaki, A.
Deposit date:2022-09-30
Release date:2023-04-05
Last modified:2023-04-26
Method:ELECTRON MICROSCOPY (4.02 Å)
Cite:Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
4I8T
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BU of 4i8t by Molmil
C.Esp1396I bound to a 19 base pair DNA duplex
Descriptor: DNA (5'-D(P*TP*GP*TP*GP*TP*GP*AP*TP*TP*AP*TP*AP*GP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(P*TP*GP*TP*TP*GP*AP*CP*TP*AP*TP*AP*AP*TP*CP*AP*CP*AP*CP*A)-3'), Regulatory protein
Authors:Martin, R.N.A, McGeehan, J.E, Kneale, G.G.
Deposit date:2012-12-04
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural analysis of DNA-protein complexes regulating the restriction-modification system Esp1396I.
Acta Crystallogr.,Sect.F, 69, 2013
4I6R
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BU of 4i6r by Molmil
High Resolution Crystal Structure of the Wild-Type Restriction-Modification Controller Protein C.Esp1396I (Triclinic form)
Descriptor: GLYCEROL, Regulatory protein, SULFATE ION
Authors:Martin, R.N.A, McGeehan, J.E, Kneale, G.G.
Deposit date:2012-11-30
Release date:2013-11-13
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural and Mutagenic Analysis of the RM Controller Protein C.Esp1396I.
Plos One, 9, 2014
4IA8
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BU of 4ia8 by Molmil
Crystal Structure of a Y37A mutant of the Restriction-Modification Controller Protein C.Esp1396I
Descriptor: Regulatory protein, SULFATE ION
Authors:Martin, R.N.A, McGeehan, J.E, Kneale, G.G.
Deposit date:2012-12-06
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Mutagenic Analysis of the RM Controller Protein C.Esp1396I.
Plos One, 9, 2014
4LC0
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BU of 4lc0 by Molmil
Identifying ligand binding hot spots in proteins using brominated fragments
Descriptor: AMMONIUM ION, Elongation factor Tu-A, MAGNESIUM ION, ...
Authors:Groftehauge, M.K, Therkelsen, M, Taaning, R, Skrydstrup, T, Morth, J.P, Nissen, P.
Deposit date:2013-06-21
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.221 Å)
Cite:Identifying ligand-binding hot spots in proteins using brominated fragments.
Acta Crystallogr.,Sect.F, 69, 2013
4LBV
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BU of 4lbv by Molmil
Identifying ligand binding hot spots in proteins using brominated fragments
Descriptor: AMMONIUM ION, CHLORIDE ION, Elongation factor Tu-A, ...
Authors:Groftehauge, M.K, Therkelsen, M, Taaning, R, Skrydstrup, T, Morth, J.P, Nissen, P.
Deposit date:2013-06-21
Release date:2013-09-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Identifying ligand-binding hot spots in proteins using brominated fragments.
Acta Crystallogr.,Sect.F, 69, 2013
2FZ5
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BU of 2fz5 by Molmil
Solution structure of two-electron reduced Megasphaera elsdenii flavodoxin
Descriptor: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, Flavodoxin
Authors:van Mierlo, C.P.M, Lijnzaad, P, Vervoort, J, Mueller, F, Berendsen, H.J, de Vlieg, J.
Deposit date:2006-02-09
Release date:2006-03-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Tertiary structure of two-electron reduced Megasphaera elsdenii flavodoxin and some implications, as determined by two-dimensional 1H NMR and restrained molecular dynamics
Eur.J.Biochem., 194, 1990
8IB0
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BU of 8ib0 by Molmil
The amyloid structure of mouse RIPK1 RHIM-containing domain by solid-state NMR
Descriptor: Receptor-interacting serine/threonine-protein kinase 1
Authors:Liu, J, Xialian, W.
Deposit date:2023-02-09
Release date:2023-03-22
Last modified:2024-05-15
Method:SOLID-STATE NMR
Cite:The amyloid structure of mouse RIPK1 RHIM-containing domain by solid-state NMR
To Be Published
1NI2
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BU of 1ni2 by Molmil
Structure of the active FERM domain of Ezrin
Descriptor: Ezrin
Authors:Smith, W.J, Nassar, N, Bretscher, A.P, Cerione, R.A, Karplus, P.A.
Deposit date:2002-12-20
Release date:2003-02-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Active N-terminal Domain of Ezrin. CONFORMATIONAL AND MOBILITY CHANGES IDENTIFY KEYSTONE INTERACTIONS.
J.Biol.Chem., 278, 2003
7SML
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BU of 7sml by Molmil
Crystal Structure of L-GALACTONO-1,4-LACTONE DEHYDROGENASE de Myrciaria dubia
Descriptor: L-GALACTONO-1,4-LACTONE DEHYDROGENASE
Authors:Santillan, J.A.V, Cabrejos, D.A.L, Pereira, H.M, Gomez, J.C.C, Garratt, R.C.
Deposit date:2021-10-26
Release date:2022-11-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural insights into the Smirnoff-Wheeler pathway for vitamin C production in the Amazon fruit Camu-Camu.
J.Exp.Bot., 2024
7SIH
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BU of 7sih by Molmil
Crystal Structure of HLA B*3503 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I
Descriptor: Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ...
Authors:Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M.
Deposit date:2021-10-14
Release date:2022-11-23
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular insights into the HLA-B35 molecules' classification associated with HIV control.
Immunol.Cell.Biol., 102, 2024
7SIS
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BU of 7sis by Molmil
SARS-CoV-2 Spike-derived peptide S976-984 (VLNDILSRL) presented by HLA-A*02:01
Descriptor: ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ...
Authors:Szeto, C, Gras, S.
Deposit date:2021-10-14
Release date:2022-11-23
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The impact of SARS-CoV-2 spike mutation on peptide presentation is HLA allomorph-specific
Curr Res Struct Biol, 2024
7SIG
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BU of 7sig by Molmil
Crystal Structure of HLA B*3501 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I
Descriptor: Beta-2-microglobulin, CITRATE ANION, MHC class I antigen, ...
Authors:Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M.
Deposit date:2021-10-14
Release date:2022-11-23
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.741 Å)
Cite:Molecular insights into the HLA-B35 molecules' classification associated with HIV control.
Immunol.Cell.Biol., 102, 2024
7SIF
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BU of 7sif by Molmil
Crystal Structure of HLA B*3505 in complex with NPDIVIYQY, an 9-mer epitope from HIV-I
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-2-microglobulin, ...
Authors:Gras, S, Lobos, C.A, Chatzileontiadou, D.S.M.
Deposit date:2021-10-14
Release date:2022-11-23
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Molecular insights into the HLA-B35 molecules' classification associated with HIV control.
Immunol.Cell.Biol., 102, 2024
8DIC
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BU of 8dic by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIB
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BU of 8dib by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: 3C-like proteinase nsp5, 5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023
8DIG
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BU of 8dig by Molmil
Virtual screening for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors
Descriptor: (3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione, 3C-like proteinase nsp5
Authors:Singh, I, Shoichet, B.K.
Deposit date:2022-06-29
Release date:2023-06-28
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Protein Sci., 32, 2023

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