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5EL2
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BU of 5el2 by Molmil
Crystal structure of Odorant Binding Protein 1 from Anopheles gambiae (AgamOBP1) with Icaridin (butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate)
Descriptor: AGAP003309-PA, Icaridin, MAGNESIUM ION
Authors:Drakou, C.E, Tsitsanou, K.E, Zographos, S.E.
Deposit date:2015-11-04
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The crystal structure of the AgamOBP1Icaridin complex reveals alternative binding modes and stereo-selective repellent recognition.
Cell. Mol. Life Sci., 74, 2017
5DNC
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BU of 5dnc by Molmil
Crystal structure of the Asn-bound guinea pig L-asparaginase 1 catalytic domain active site mutant T19A
Descriptor: 1,2-ETHANEDIOL, ASPARAGINE, L-asparaginase
Authors:Schalk, A.M, Lavie, A.
Deposit date:2015-09-09
Release date:2016-01-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Experimental Data in Support of a Direct Displacement Mechanism for Type I/II l-Asparaginases.
J.Biol.Chem., 291, 2016
8U8J
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BU of 8u8j by Molmil
Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #16
Descriptor: (4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
Authors:Anderson, J.W, Vigers, G.P.
Deposit date:2023-09-18
Release date:2024-03-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
8U8K
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BU of 8u8k by Molmil
Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #8
Descriptor: (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
Authors:Anderson, J.W, Vigers, G.P.
Deposit date:2023-09-18
Release date:2024-03-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
8TTN
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BU of 8ttn by Molmil
PHF1-Phosphomimetic Tau Filaments (Full-length, Cofactor-Free 0N4R Tau S396E, S400E, T403E, S404E)
Descriptor: Microtubule-associated protein tau
Authors:El Mammeri, N, Dregni, A.J, Duan, P, Hong, M.
Deposit date:2023-08-14
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structures of AT8 and PHF1 phosphomimetic tau: Insights into the posttranslational modification code of tau aggregation.
Proc.Natl.Acad.Sci.USA, 121, 2024
8TTL
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BU of 8ttl by Molmil
AT8-Phosphomimetic Tau Filaments (Full-length, Cofactor-Free 0N4R Tau S202E, T205E, S208E)
Descriptor: Microtubule-associated protein tau
Authors:El Mammeri, N, Dregni, A.J, Duan, P, Hong, M.
Deposit date:2023-08-14
Release date:2024-06-26
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures of AT8 and PHF1 phosphomimetic tau: Insights into the posttranslational modification code of tau aggregation.
Proc.Natl.Acad.Sci.USA, 121, 2024
4TW3
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BU of 4tw3 by Molmil
Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound
Descriptor: 1,2-ETHANEDIOL, Aldehyde decarbonylase, FE (III) ION, ...
Authors:Buer, B.C, Paul, B, Das, D, Stuckey, J.A, Marsh, E.N.G.
Deposit date:2014-06-29
Release date:2014-10-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Insights into substrate and metal binding from the crystal structure of cyanobacterial aldehyde deformylating oxygenase with substrate bound.
Acs Chem.Biol., 9, 2014
3DGD
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BU of 3dgd by Molmil
Crystal structure of the F87M/L110M mutant of human transthyretin at pH 4.6
Descriptor: ACETATE ION, GLYCEROL, Transthyretin, ...
Authors:Palmieri, L.C, Freire, J.B.B, Foguel, D, Lima, L.M.T.R.
Deposit date:2008-06-13
Release date:2008-07-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.383 Å)
Cite:Novel Zn2+-binding sites in human transthyretin: implications for amyloidogenesis and retinol-binding protein recognition.
J.Biol.Chem., 285, 2010
4UF8
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BU of 4uf8 by Molmil
Electron cryo-microscopy structure of PB1-p62 filaments
Descriptor: SEQUESTOSOME-1
Authors:Ciuffa, R, Lamark, T, Tarafder, A, Guesdon, A, Rybina, S, Hagen, W.J.H, Johansen, T, Sachse, C.
Deposit date:2015-03-15
Release date:2015-05-13
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (10.9 Å)
Cite:The Selective Autophagy Receptor P62 Forms a Flexible Filamentous Helical Scaffold.
Cell Rep., 11, 2015
4PKY
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BU of 4pky by Molmil
ARNT/HIF transcription factor/coactivator complex
Descriptor: Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, SULFATE ION, ...
Authors:Tomchick, D.R, Partch, C.L, Gardner, K.H.
Deposit date:2014-05-15
Release date:2015-02-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Coiled-coil Coactivators Play a Structural Role Mediating Interactions in Hypoxia-inducible Factor Heterodimerization.
J.Biol.Chem., 290, 2015
4PX9
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BU of 4px9 by Molmil
DEAD-box RNA helicase DDX3X Domain 1 with N-terminal ATP-binding Loop
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase DDX3X
Authors:Epling, L.B, Grace, C.R, Lowe, B.R, Partridge, J.F, Enemark, E.J.
Deposit date:2014-03-22
Release date:2015-03-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Cancer-Associated Mutants of RNA Helicase DDX3X Are Defective in RNA-Stimulated ATP Hydrolysis.
J.Mol.Biol., 427, 2015
4QFQ
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BU of 4qfq by Molmil
Crystal structure of natvie Npu DnaE split intein
Descriptor: DNA polymerase III, alpha subunit, Nucleic acid binding, ...
Authors:Lee, Y.Z, Kuo, J.H, Sue, S.C.
Deposit date:2014-05-21
Release date:2015-05-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.035 Å)
Cite:Crystal structure of natvie Npu DnaE split intein
TO BE PUBLISHED
4PHX
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BU of 4phx by Molmil
Crystal structure of AggB, the minor subunit of aggregative adherence fimbriae type I from the Escherichia coli O4H104
Descriptor: Protein AggB
Authors:Pakharukova, N.A, Tuitilla, M, Zavialov, A.V.
Deposit date:2014-05-07
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Insight into Host Recognition by Aggregative Adherence Fimbriae of Enteroaggregative Escherichia coli.
Plos Pathog., 10, 2014
4PH8
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BU of 4ph8 by Molmil
Crystal structure of AggA, the major subunit of aggregative adherence fimbriae type I (AAF/I) from the Escherichia coli O4H104
Descriptor: Aggregative adherence fimbrial subunit AggA, GLYCEROL
Authors:Pakharukova, N.A, Tuitilla, M, Zavialov, A.V.
Deposit date:2014-05-05
Release date:2014-10-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural Insight into Host Recognition by Aggregative Adherence Fimbriae of Enteroaggregative Escherichia coli.
Plos Pathog., 10, 2014
2Y6X
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BU of 2y6x by Molmil
Structure of Psb27 from Thermosynechococcus elongatus
Descriptor: CHLORIDE ION, PHOTOSYSTEM II 11 KD PROTEIN
Authors:Michoux, F, Takasaka, K, Boehm, M, Nixon, P.J, Murray, J.W.
Deposit date:2011-01-27
Release date:2012-01-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the Psb27 Assembly Factor at 1.6A: Implications for Binding to Photosystem II.
Photosynth.Res., 110, 2012
4R71
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BU of 4r71 by Molmil
Structure of the Qbeta holoenzyme complex in the P1211 crystal form
Descriptor: 30S ribosomal protein S1, Elongation factor Ts, Elongation factor Tu, ...
Authors:Gytz, H, Seweryn, P, Kutlubaeva, Z, Chetverin, A.B, Brodersen, D.E, Knudsen, C.R.
Deposit date:2014-08-26
Release date:2015-09-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural basis for RNA-genome recognition during bacteriophage Q beta replication.
Nucleic Acids Res., 43, 2015
5CTX
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BU of 5ctx by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-phenyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-2,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one, DNA gyrase subunit B, ...
Authors:Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CPH
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BU of 5cph by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
Descriptor: (3E)-3-(pyridin-3-ylmethylidene)-1,3-dihydro-2H-indol-2-one, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA gyrase subunit B, ...
Authors:Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
Deposit date:2015-07-21
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CTW
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BU of 5ctw by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(butanoylamino)thiophene-3-carboxamide, CHLORIDE ION, ...
Authors:Andersen, O.A, Barker, J, Hadfield, A.T, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CPV
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BU of 5cpv by Molmil
RESTRAINED LEAST SQUARES REFINEMENT OF NATIVE (CALCIUM) AND CADMIUM-SUBSTITUTED CARP PARVALBUMIN USING X-RAY CRYSTALLOGRAPHIC DATA AT 1.6-ANGSTROMS RESOLUTION
Descriptor: CALCIUM ION, CALCIUM-BINDING PARVALBUMIN B
Authors:Swain, A.L, Kretsinger, R.H, Amma, E.L.
Deposit date:1990-01-24
Release date:1990-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Restrained least squares refinement of native (calcium) and cadmium-substituted carp parvalbumin using X-ray crystallographic data at 1.6-A resolution.
J.Biol.Chem., 264, 1989
5DDP
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BU of 5ddp by Molmil
L-glutamine riboswitch bound with L-glutamine
Descriptor: GLUTAMINE, MAGNESIUM ION, RNA (61-MER), ...
Authors:Ren, A, Patel, D.J.
Deposit date:2015-08-25
Release date:2015-12-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.302 Å)
Cite:Structural and Dynamic Basis for Low-Affinity, High-Selectivity Binding of L-Glutamine by the Glutamine Riboswitch.
Cell Rep, 13, 2015
4R0E
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BU of 4r0e by Molmil
Crystal Structure of the Poliovirus RNA-Dependent RNA Polymerase Low-Fidelity Mutant 3Dpol H273R
Descriptor: RNA-directed RNA polymerase
Authors:Marcotte, L.L, Gohara, D.W, Filman, D.J, Hogle, J.M.
Deposit date:2014-07-30
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Dynamics as a Contributor to Error-prone Replication by an RNA-dependent RNA Polymerase.
J.Biol.Chem., 289, 2014
5CTU
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BU of 5ctu by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with a fragment
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(1H)-one, CHLORIDE ION, ...
Authors:Andersen, O.A, Barker, J, Cheng, R.K, Kahmann, J, Felicetti, B, Wood, M, Scheich, C, Mesleh, M, Cross, J.B, Zhang, J, Yang, Q, Lippa, B, Ryan, M.D.
Deposit date:2015-07-24
Release date:2016-02-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Fragment-based discovery of DNA gyrase inhibitors targeting the ATPase subunit of GyrB.
Bioorg.Med.Chem.Lett., 26, 2016
5CRW
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BU of 5crw by Molmil
Crystal structure of the b'-a' domain of oxidized protein disulfide isomerase complexed with alpha-synuclein peptide (31-41)
Descriptor: Peptide from Alpha-synuclein, Protein disulfide-isomerase
Authors:Yagi-Utsumi, M, Satoh, T, Kato, K.
Deposit date:2015-07-23
Release date:2015-09-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis of redox-dependent substrate binding of protein disulfide isomerase.
Sci Rep, 5, 2015
8KG3
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BU of 8kg3 by Molmil
Structure of THOUSAND-GRAIN WEIGHT 6 (TGW6)
Descriptor: Os06g0623700 protein
Authors:Akabane, T, Suzuki, N, Matsumura, H, Yoshizawa, T, Tsuchiya, W, Katoh, E, Hirotsu, N.
Deposit date:2023-08-17
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:THOUSAND-GRAIN WEIGHT 6, which is an IAA-glucose hydrolase, preferentially recognizes the structure of the indole ring.
Sci Rep, 14, 2024

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数据于2024-10-16公开中

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