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8DEO
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BU of 8deo by Molmil
Structure of AAP A domain and B-repeats (residues 351-813) from Staphylococcus epidermidis
Descriptor: Accumulation associated protein, CALCIUM ION, CHLORIDE ION
Authors:Harris, G, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R.
Deposit date:2022-06-21
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
8D9J
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BU of 8d9j by Molmil
SAMHD1-DNA complex
Descriptor: CALCIUM ION, DNA (5'-D(*CP*AP*AP*TP*G)-3'), Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Hollis, T.J, Batalis, S.M.
Deposit date:2022-06-10
Release date:2023-07-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Protein oxidation increases SAMHD1 binding ssDNA via its regulatory site.
Nucleic Acids Res., 51, 2023
6LKZ
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BU of 6lkz by Molmil
Crystal structure of isocitrate dehydrogenase 1 from Phaeodactylum tricornutum
Descriptor: isocitrate dehydrogenase
Authors:Zhu, G.P.
Deposit date:2019-12-21
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Biochemical Characterization and Crystal Structure of a Novel NAD+ -Dependent Isocitrate Dehydrogenase from Phaeodactylum tricornutum.
Int J Mol Sci, 21, 2020
8E20
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BU of 8e20 by Molmil
Cryo-EM structure of the full-length human NF1 dimer
Descriptor: Isoform I of Neurofibromin
Authors:Darling, J.E, Merk, A, Grisshammer, R, Ognjenovic, J.
Deposit date:2022-08-12
Release date:2023-04-26
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Destabilizing NF1 variants act in a dominant negative manner through neurofibromin dimerization.
Proc.Natl.Acad.Sci.USA, 120, 2023
6B9J
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BU of 6b9j by Molmil
Structure of vaccinia virus D8 protein bound to human Fab vv138
Descriptor: Fab vv138 Heavy chain, Fab vv138 Light chain, GLYCEROL, ...
Authors:Zajonc, D.M.
Deposit date:2017-10-10
Release date:2017-11-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8.
J. Biol. Chem., 293, 2018
6C2R
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BU of 6c2r by Molmil
Aurora A ligand complex
Descriptor: (2R,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-4-({3-fluoro-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridin-2-yl}methyl)-2-methylpiperidine-4-carboxylic acid, Aurora kinase A, SULFATE ION
Authors:Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S.
Deposit date:2018-01-08
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene.
Cancer Discov, 9, 2019
6BZ4
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BU of 6bz4 by Molmil
Human IgG1 lacking complement-dependent cytotoxicity: hu3S193 Fc mutant K322A
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Farrugia, W, Burvenich, I.G.J, Scott, A.M, Ramsland, P.A.
Deposit date:2017-12-22
Release date:2018-06-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Global conformational changes in IgG-Fc upon mutation of the FcRn-binding site are not associated with altered antibody-dependent effector functions.
Biochem. J., 475, 2018
6MOM
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BU of 6mom by Molmil
Crystal structure of human Interleukin-1 receptor associated Kinase 4 (IRAK 4, CID 100300) in complex with compound NCC00371481 (BSI 107591)
Descriptor: 1,2-ETHANEDIOL, 6-[7-methoxy-6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine, Interleukin-1 receptor-associated kinase 4
Authors:Abendroth, J, Mayclin, S.J, Lorimer, D.D, Starczynowski, D, Hoyt, S, Tawa, G, Thomas, C.
Deposit date:2018-10-04
Release date:2019-10-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Overcoming adaptive therapy resistance in AML by targeting immune response pathways.
Sci Transl Med, 11, 2019
6C98
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BU of 6c98 by Molmil
Crystal structure of FcRn bound to UCB-84
Descriptor: 1-[7-(3-fluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethan-1-one, Beta-2-microglobulin, CYSTEINE, ...
Authors:Fox III, D, Lukacs, C.M.
Deposit date:2018-01-25
Release date:2018-05-30
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
6C97
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BU of 6c97 by Molmil
Crystal structure of FcRn at pH3
Descriptor: Beta-2-microglobulin, GLYCEROL, IgG receptor FcRn large subunit p51
Authors:Fox III, D, Fairman, J.W.
Deposit date:2018-01-25
Release date:2018-05-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
6N81
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BU of 6n81 by Molmil
Crystal structure of GII.4 2002 norovirus P domain in complex with cross-reactive human antibody A1227
Descriptor: A1227 Fab heavy chain, A1227 Fab light chain, Major capsid protein
Authors:Changela, A, Verardi, R, Kwong, P.D.
Deposit date:2018-11-28
Release date:2019-06-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.579 Å)
Cite:Sera Antibody Repertoire Analyses Reveal Mechanisms of Broad and Pandemic Strain Neutralizing Responses after Human Norovirus Vaccination.
Immunity, 50, 2019
6C2T
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BU of 6c2t by Molmil
Aurora A ligand complex
Descriptor: (2S,4R)-1-[(3-chloro-2-fluorophenyl)methyl]-2-methyl-4-({3-[(1,3-thiazol-2-yl)amino]isoquinolin-1-yl}methyl)piperidine-4-carboxylic acid, Aurora kinase A, DIMETHYL SULFOXIDE, ...
Authors:Antonysamy, S, Pustilnik, A, Manglicmot, D, Froning, K, Weichert, K, Wasserman, S.
Deposit date:2018-01-08
Release date:2019-01-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Aurora A Kinase Inhibition Is Synthetic Lethal with Loss of theRB1Tumor Suppressor Gene.
Cancer Discov, 9, 2019
6C71
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BU of 6c71 by Molmil
Nicotine Oxidoreductase in Complex with S-nicotine
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Amine oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2018-01-19
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.649 Å)
Cite:Crystallography Coupled with Kinetic Analysis Provides Mechanistic Underpinnings of a Nicotine-Degrading Enzyme.
Biochemistry, 57, 2018
6N8D
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BU of 6n8d by Molmil
Crystal structure of GII.4 2002 norovirus P domain in complex with neutralizing human antibody A1431
Descriptor: A1431 Fab heavy chain, A1431 Fab light chain, Major capsid protein
Authors:Changela, A, Verardi, R, Kwong, P.D.
Deposit date:2018-11-29
Release date:2019-06-19
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Sera Antibody Repertoire Analyses Reveal Mechanisms of Broad and Pandemic Strain Neutralizing Responses after Human Norovirus Vaccination.
Immunity, 50, 2019
6C99
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BU of 6c99 by Molmil
Crystal structure of FcRn bound to UCB-303
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, CITRIC ACID, ...
Authors:Fox III, D, Abendroth, J, Porter, J, Deboves, H.
Deposit date:2018-01-25
Release date:2018-05-30
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Insight into small molecule binding to the neonatal Fc receptor by X-ray crystallography and 100 kHz magic-angle-spinning NMR.
PLoS Biol., 16, 2018
8EDM
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BU of 8edm by Molmil
Cryo-EM structure of the full-length human NF1 dimer
Descriptor: Isoform I of Neurofibromin
Authors:Darling, J.E, Merk, A, Grisshammer, R, Ognjenovic, J.
Deposit date:2022-09-05
Release date:2023-09-27
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Destabilizing NF1 variants act in a dominant negative manner through neurofibromin dimerization.
Proc.Natl.Acad.Sci.USA, 120, 2023
6WL0
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BU of 6wl0 by Molmil
Cryo-EM of Form 1 related peptide filament, 36-31-3-RD
Descriptor: peptide 36-31-3-RD
Authors:Wang, F, Gnewou, O.M, Su, Z, Egelman, E.H, Conticello, V.P.
Deposit date:2020-04-17
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
6WL8
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BU of 6wl8 by Molmil
Cryo-EM of Form 2 peptide filament
Descriptor: Form 2 peptide
Authors:Wang, F, Gnewou, O.M, Xu, C, Su, Z, Egelman, E.H, Conticello, V.P.
Deposit date:2020-04-18
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
1C6Z
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BU of 1c6z by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-28
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
6WKY
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BU of 6wky by Molmil
Cryo-EM of Form 1 related peptide filament, 29-24-3
Descriptor: peptide 29-24-3
Authors:Wang, F, Gnewou, O.M, Egelman, E.H, Conticello, V.P.
Deposit date:2020-04-17
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural analysis of cross alpha-helical nanotubes provides insight into the designability of filamentous peptide nanomaterials.
Nat Commun, 12, 2021
1C70
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BU of 1c70 by Molmil
ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP.
Descriptor: N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-PHENYLMETHYL-4(S)-HYDROXY-5-[4-[2-BENZOFURANYLMETHYL]-2(S)-[TERT-BUTYLAMINOCARBONYL]-PIPERAZINYL]-PENTANEAMIDE, PROTEIN (PROTEASE)
Authors:Munshi, S.
Deposit date:1999-12-29
Release date:2000-12-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An alternate binding site for the P1-P3 group of a class of potent HIV-1 protease inhibitors as a result of concerted structural change in the 80s loop of the protease.
Acta Crystallogr.,Sect.D, 56, 2000
6WMI
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BU of 6wmi by Molmil
ZNF410 zinc fingers 1-5 with 17 mer blunt DNA Oligonucleotide
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*CP*AP*TP*CP*CP*CP*AP*TP*AP*AP*TP*AP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*TP*TP*AP*TP*GP*GP*GP*AP*TP*GP*TP*G)-3'), ...
Authors:Ren, R, Horton, J.R, Cheng, X.
Deposit date:2020-04-21
Release date:2020-12-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:ZNF410 Uniquely Activates the NuRD Component CHD4 to Silence Fetal Hemoglobin Expression.
Mol.Cell, 81, 2021
4PP9
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BU of 4pp9 by Molmil
ITK kinase domain with compound 1 (N-[1-(3-CYANOBENZYL)-1H-PYRAZOL-4-YL]-2H-INDAZOLE-3-CARBOXAMIDE)
Descriptor: N-[1-(3-cyanobenzyl)-1H-pyrazol-4-yl]-2H-indazole-3-carboxamide, SULFATE ION, Tyrosine-protein kinase ITK/TSK
Authors:Eigenbrot, C, Shia, S.
Deposit date:2014-02-26
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014
6WQ2
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BU of 6wq2 by Molmil
Cryo-EM of the S. islandicus filamentous virus, SIFV
Descriptor: A-DNA, Structural protein MCP1, Structural protein MCP2
Authors:Wang, F, Baquero, D.P, Su, Z, Zheng, W, Prangishvili, D, Krupovic, M, Egelman, E.H.
Deposit date:2020-04-28
Release date:2020-07-29
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structures of filamentous viruses infecting hyperthermophilic archaea explain DNA stabilization in extreme environments.
Proc.Natl.Acad.Sci.USA, 117, 2020
4PPB
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BU of 4ppb by Molmil
ITK kinase domain with compound 28 (N-{1-[(1S)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
Descriptor: N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase ITK/TSK
Authors:Eigenbrot, C, Shia, S.
Deposit date:2014-02-26
Release date:2014-06-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
Bioorg.Med.Chem.Lett., 24, 2014

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