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5GGU
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BU of 5ggu by Molmil
Crystal structure of tremelimumab Fab
Descriptor: heavy chain, light chain
Authors:Heo, Y.S.
Deposit date:2016-06-16
Release date:2016-11-09
Last modified:2016-11-16
Method:X-RAY DIFFRACTION (2.292 Å)
Cite:Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy
Nat Commun, 7, 2016
5GGS
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BU of 5ggs by Molmil
PD-1 in complex with pembrolizumab Fab
Descriptor: Programmed cell death protein 1, heavy chain, light chain
Authors:Heo, Y.S.
Deposit date:2016-06-16
Release date:2016-11-09
Last modified:2016-11-16
Method:X-RAY DIFFRACTION (1.997 Å)
Cite:Structural basis of checkpoint blockade by monoclonal antibodies in cancer immunotherapy
Nat Commun, 7, 2016
6BLP
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BU of 6blp by Molmil
Pol II elongation complex with an abasic lesion at i+1 position, soaking AMPCPP
Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, DNA (5'-D(P*AP*(3DR)P*CP*TP*CP*TP*CP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Wang, W, Wang, D.
Deposit date:2017-11-11
Release date:2018-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.203 Å)
Cite:Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BM2
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BU of 6bm2 by Molmil
Pol II elongation complex with an abasic lesion at i-1 position
Descriptor: DNA (5'-D(P*CP*AP*(3DR)P*CP*TP*CP*TP*TP*GP*AP*TP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
Authors:Wang, W, Wang, D.
Deposit date:2017-11-13
Release date:2018-02-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.403 Å)
Cite:Structural basis of transcriptional stalling and bypass of abasic DNA lesion by RNA polymerase II.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7BOL
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BU of 7bol by Molmil
ubiquitin-conjugating enzyme, Ube2D2
Descriptor: Ubiquitin-conjugating enzyme E2 D2
Authors:Lee, S.O, Ryu, K.S, Chi, S.-W.
Deposit date:2020-03-19
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.797 Å)
Cite:MUL1-RING recruits the substrate, p53-TAD as a complex with UBE2D2-UB conjugate.
Febs J., 2022
5W51
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BU of 5w51 by Molmil
Pol II elongation complex with an N6-methyladenine-containing template and a matched UMPNPP
Descriptor: 14mer non-template DNA, 29mer template DNA, 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine, ...
Authors:Wang, W, Wang, D.
Deposit date:2017-06-13
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.404 Å)
Cite:Epigenetic DNA Modification N6-Methyladenine Causes Site-Specific RNA Polymerase II Transcriptional Pausing.
J.Am.Chem.Soc., 139, 2017
2BE0
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BU of 2be0 by Molmil
Complex Between Paromomycin Derivative JS5-39 and the 16S-Rrna A-Site.
Descriptor: (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-5-((1R,2R,3S,5R,6S)-3,5-DIAMINO-2-((2S,3R,4R,5S,6R)-3-AMINO-4 ,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-(HYDROXYMETHYL)-4-(2-((R)-PIPERIDI N-3-YLMETHYLAMINO)ETHOXY)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL, 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3'
Authors:Francois, B, Westhof, E.
Deposit date:2005-10-21
Release date:2005-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Antibacterial aminoglycosides with a modified mode of binding to the ribosomal-RNA decoding site
ANGEW.CHEM.INT.ED.ENGL., 43, 2004
2BMW
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BU of 2bmw by Molmil
Ferredoxin: NADP+ Reductase Mutant With Thr 155 Replaced By Gly, Ala 160 Replaced By Thr, Leu 263 Replaced By Pro, Arg 264 Replaced By Pro and Gly 265 Replaced by Pro (T155G-A160T-L263P-R264P-G265P)
Descriptor: FERREDOXIN--NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Martinez-Julvez, M, Hermoso, J.A, Perez-Dorado, I, Medina, M, Tejero, J, Gomez-Moreno, C.
Deposit date:2005-03-16
Release date:2006-06-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Protein Motifs Involved in Coenzyme Interaction and Enzymatic Efficiency in Anabaena Ferredoxin-Nadp+ Reductase.
Biochemistry, 48, 2009
7JMX
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BU of 7jmx by Molmil
Crystal structure of a SARS-CoV-2 cross-neutralizing antibody COVA1-16 Fab
Descriptor: ACETATE ION, COVA1-16 heavy chain, COVA1-16 light chain, ...
Authors:Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A.
Deposit date:2020-08-03
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Cross-Neutralization of a SARS-CoV-2 Antibody to a Functionally Conserved Site Is Mediated by Avidity.
Immunity, 53, 2020
5W4U
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BU of 5w4u by Molmil
Pol II elongation complex with an N6-methyladenine-containing template
Descriptor: 14mer non-template DNA, 29mer template DNA, 9mer RNA, ...
Authors:Wang, W, Wang, D.
Deposit date:2017-06-13
Release date:2018-06-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Epigenetic DNA Modification N6-Methyladenine Causes Site-Specific RNA Polymerase II Transcriptional Pausing.
J.Am.Chem.Soc., 139, 2017
7BDE
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BU of 7bde by Molmil
HUMAN BCL6 BTB-DOMAIN IN COMPLEX WITH GSK137
Descriptor: 5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Somers, D.O.
Deposit date:2020-12-21
Release date:2021-07-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.044 Å)
Cite:GSK137, a potent small-molecule BCL6 inhibitor with in vivo activity, suppresses antibody responses in mice.
J.Biol.Chem., 297, 2021
4L62
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BU of 4l62 by Molmil
Crystal Structure of Pseudomonas aeruginosa transcriptional regulator PA2196 bound to its operator DNA
Descriptor: DNA (25-MER), Transcriptional regulator
Authors:Choe, J.W, Kim, Y.W.
Deposit date:2013-06-11
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of Pseudomonas aeruginosa transcriptional regulator PA2196 bound to its operator DNA.
Biochem.Biophys.Res.Commun., 440, 2013
7JMW
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BU of 7jmw by Molmil
Crystal structure of SARS-CoV-2 spike protein receptor-binding domain in complex with cross-neutralizing antibody COVA1-16 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COVA1-16 heavy chain, COVA1-16 light chain, ...
Authors:Liu, H, Yuan, M, Zhu, X, Wu, N.C, Wilson, I.A.
Deposit date:2020-08-03
Release date:2020-10-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Cross-Neutralization of a SARS-CoV-2 Antibody to a Functionally Conserved Site Is Mediated by Avidity.
Immunity, 53, 2020
7MP7
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BU of 7mp7 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sb3
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-05-04
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
7MN1
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BU of 7mn1 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sa1
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
7MQ4
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BU of 7mq4 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sb1
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-05-05
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
2BEE
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BU of 2bee by Molmil
Complex Between Paromomycin derivative JS4 and the 16S-Rrna A Site
Descriptor: (2S,3S,4R,5R,6R)-5-AMINO-2-(AMINOMETHYL)-6-((2R,3R,4R,5S)-4-(2-(3-AMINOPROPYLAMINO)ETHOXY)-5-((1R,2R,3S,5R,6S)-3,5-DIAM INO-2-((2S,3R,4R,5S,6R)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-6-HYDROXYCYCLOHEXYLOXY)-2-( HYDROXYMETHYL)-TETRAHYDROFURAN-3-YLOXY)-TETRAHYDRO-2H-PYRAN-3,4-DIOL, 5'-R(*CP*GP*CP*GP*UP*CP*AP*CP*AP*CP*CP*GP*GP*UP*GP*AP*AP*GP*UP*CP*GP*C)-3'
Authors:Francois, B, Westhof, E.
Deposit date:2005-10-24
Release date:2005-12-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Antibacterial aminoglycosides with a modified mode of binding to the ribosomal-RNA decoding site
ANGEW.CHEM.INT.ED.ENGL., 43, 2004
7MN2
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BU of 7mn2 by Molmil
Rules for designing protein fold switches and their implications for the folding code
Descriptor: Sb2
Authors:He, Y, Chen, Y, Ruan, B, Choi, J, Chen, Y, Motabar, D, Solomon, T, Simmerman, R, Kauffman, T, Gallagher, T, Bryan, P, Orban, J.
Deposit date:2021-04-30
Release date:2022-05-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and characterization of a protein fold switching network.
Nat Commun, 14, 2023
5X3F
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BU of 5x3f by Molmil
Crystal structure of the YgjG-Protein A-Zpa963-PKA catalytic domain
Descriptor: Putrescine aminotransferase,Immunoglobulin G-binding protein A, Zpa963,cAMP-dependent protein kinase catalytic subunit alpha
Authors:Youn, S.J, Kwon, N.Y, Lee, J.H, Kim, J.H, Lee, H, Lee, J.O.
Deposit date:2017-02-05
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.38 Å)
Cite:Construction of novel repeat proteins with rigid and predictable structures using a shared helix method.
Sci Rep, 7, 2017
5XQH
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BU of 5xqh by Molmil
Crystal structure of truncated human Rogdi
Descriptor: Protein rogdi homolog
Authors:Lee, H, Lee, C.
Deposit date:2017-06-07
Release date:2017-07-12
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:The crystal structure of human Rogdi provides insight into the causes of Kohlschutter-Tonz Syndrome
Sci Rep, 7, 2017
3SH5
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BU of 3sh5 by Molmil
Calcium-bound Laminin G like domain 3 from human perlecan
Descriptor: CALCIUM ION, LG3 peptide
Authors:Van Le, B, Kim, K.K.
Deposit date:2011-06-16
Release date:2011-12-14
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the LG3 Domain of Endorepellin, an Angiogenesis Inhibitor.
J.Mol.Biol., 414, 2011
2P8U
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BU of 2p8u by Molmil
Crystal structure of human 3-hydroxy-3-methylglutaryl CoA synthase I
Descriptor: COENZYME A, GLYCEROL, Hydroxymethylglutaryl-CoA synthase, ...
Authors:Turnbull, A, Shafqat, N, Salah, E, Niesen, F.H, Burgess, N, Bunkoczi, G, Debreczeni, J, Pike, A.C.W, Umeano, C, Gorrec, F, von Delft, F, Weigelt, J, Arrowsmith, C.H, Sundstrom, M, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC)
Deposit date:2007-03-23
Release date:2007-04-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of human HMG-CoA synthase isoforms provide insights into inherited ketogenesis disorders and inhibitor design.
J.Mol.Biol., 398, 2010
6M2D
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BU of 6m2d by Molmil
MUL1-RING domain
Descriptor: Mitochondrial ubiquitin ligase activator of NFKB 1, SULFATE ION, ZINC ION
Authors:Lee, S.O, Ryu, K.S, Chi, S.-W.
Deposit date:2020-02-27
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.795 Å)
Cite:MUL1-RING recruits the substrate, p53-TAD as a complex with UBE2D2-UB conjugate.
Febs J., 2022
6M2C
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BU of 6m2c by Molmil
Distinct mechanism of MUL1-RING domain simultaneously recruiting E2 enzyme and the substrate p53-TAD domain
Descriptor: Mitochondrial ubiquitin ligase activator of NFKB 1, Ubiquitin-conjugating enzyme E2 D2, ZINC ION
Authors:Lee, S.O, Ryu, K.S, Chi, S.-W.
Deposit date:2020-02-27
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.702 Å)
Cite:MUL1-RING recruits the substrate, p53-TAD as a complex with UBE2D2-UB conjugate.
Febs J., 2022
7KX5
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BU of 7kx5 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with noncovalent inhibitor Jun8-76-3A
Descriptor: 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2020-12-03
Release date:2020-12-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021

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