9BDW
 
 | | NF-kappaB RelA homo-dimer bound to GC-centric kappaB DNA | | Descriptor: | DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*GP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*CP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ... | | Authors: | Biswas, T, Shahabi, S, Tsodikov, O.V, Huang, D, Ghosh, G. | | Deposit date: | 2024-04-12 | | Release date: | 2024-04-24 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
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9BDU
 | | NF-kappaB RelA homo-dimer bound to AT-centric kappaB DNA | | Descriptor: | DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), DNA (5'-D(P*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*TP*TP*TP*CP*CP*CP*AP*GP*T)-3'), SULFATE ION, ... | | Authors: | Biswas, T, Huang, D, Ghosh, G. | | Deposit date: | 2024-04-12 | | Release date: | 2024-04-24 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
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9BDV
 | | NF-kappaB RelA homo-dimer bound to TA-centric kappaB DNA | | Descriptor: | DNA (5'-D(*AP*TP*CP*AP*CP*TP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*AP*GP*T)-3'), DNA (5'-D(P*AP*CP*TP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*AP*GP*TP*GP*AP*T)-3'), SULFATE ION, ... | | Authors: | Biswas, T, Shahabi, S, Tsodikov, O.V. | | Deposit date: | 2024-04-12 | | Release date: | 2024-04-24 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8RVT
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6TTU
 | | Ubiquitin Ligation to substrate by a cullin-RING E3 ligase at 3.7A resolution: NEDD8-CUL1-RBX1 N98R-SKP1-monomeric b-TRCP1dD-IkBa-UB~UBE2D2 | | Descriptor: | CYS-LYS-LYS-ALA-ARG-HIS-ASP-SEP-GLY, Cullin-1, E3 ubiquitin-protein ligase RBX1, ... | | Authors: | Baek, K, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2019-12-30 | | Release date: | 2020-02-12 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | NEDD8 nucleates a multivalent cullin-RING-UBE2D ubiquitin ligation assembly.
Nature, 578, 2020
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5CQN
 | | GTB mutant without mercury - E303C | | Descriptor: | Histo-blood group ABO system transferase | | Authors: | Gagnon, S.M.L, Blackler, R.J. | | Deposit date: | 2015-07-22 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
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5CQP
 | | GTB mutant with mercury - E303Q | | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | | Authors: | Gagnon, S.M.L, Blackler, R.J. | | Deposit date: | 2015-07-21 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
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5K9R
 | | PDE10a with imidazopyrazine inhibitor | | Descriptor: | 4-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine, MAGNESIUM ION, ZINC ION, ... | | Authors: | Gibbs, A.G, Schubert, C. | | Deposit date: | 2016-06-01 | | Release date: | 2016-08-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of novel potent imidazo[1,2-b]pyridazine PDE10a inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
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3SDW
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5CQM
 | | GTB mutant with mercury - E303C | | Descriptor: | Histo-blood group ABO system transferase, MERCURY (II) ION | | Authors: | Gagnon, S.M.L, Blackler, R.J. | | Deposit date: | 2015-07-22 | | Release date: | 2016-10-26 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
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5K14
 | | HIV-1 Reverse Transcriptase in complex with a 2,6-difluorophenyl DAPY analog | | Descriptor: | 4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile, HIV-1 reverse transcriptase (isolate LW123), HIV-1 reverse transcriptase(isolate HXB2) | | Authors: | Lansdon, E.B. | | Deposit date: | 2016-05-17 | | Release date: | 2016-06-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | Novel (2,6-difluorophenyl)(2-(phenylamino)pyrimidin-4-yl)methanones with restricted conformation as potent non-nucleoside reverse transcriptase inhibitors against HIV-1.
Eur.J.Med.Chem., 122, 2016
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5XZ0
 | | Staphylococcal Enterotoxin B (SEB) mutant S19 - N23A, Y90A, R110A and F177A | | Descriptor: | Staphylococcal enterotoxin B | | Authors: | Jeong, W.H, Song, D.H, Hur, G.H, Jeong, S.T. | | Deposit date: | 2017-07-11 | | Release date: | 2017-11-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | Structure of the staphylococcal enterotoxin B vaccine candidate S19 showing eliminated superantigen activity
Acta Crystallogr F Struct Biol Commun, 73, 2017
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6Z3H
 | | Repulsive Guidance Molecule B (RGMB) in complex with Growth Differentiation Factor 5 (GDF5) (crystal form 2) | | Descriptor: | Growth/differentiation factor 5, RGM domain family member B | | Authors: | Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C. | | Deposit date: | 2020-05-20 | | Release date: | 2020-07-01 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.158 Å) | | Cite: | Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex.
Proc.Natl.Acad.Sci.USA, 117, 2020
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3SGW
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7S7K
 | | Crystal structure of the EphB2 extracellular domain | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-B receptor 2, ... | | Authors: | Xu, Y, Xu, K, Nikolov, D.B. | | Deposit date: | 2021-09-16 | | Release date: | 2021-10-27 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | The Ephb2 Receptor Uses Homotypic, Head-to-Tail Interactions within Its Ectodomain as an Autoinhibitory Control Mechanism.
Int J Mol Sci, 22, 2021
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9BE1
 | | CG-centric NF-kappaB RelA binding DNA | | Descriptor: | ACETATE ION, DNA (5'-D(*CP*GP*GP*GP*AP*AP*TP*TP*TP*CP*CP*GP*CP*GP*GP*AP*AP*AP*TP*TP*CP*CP*CP*G)-3'), ZINC ION | | Authors: | Biswas, T, Shahabi, S, Tsodikov, O.V, Wang, V, Ghosh, G. | | Deposit date: | 2024-04-13 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
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9BDY
 | | AT-centric NF-kappaB RelA binding DNA | | Descriptor: | ACETATE ION, DNA (5'-D(*CP*GP*GP*AP*AP*TP*TP*TP*CP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*G)-3'), ... | | Authors: | Biswas, T, Shahabi, S, Tsodikov, O.V, Ghosh, G. | | Deposit date: | 2024-04-13 | | Release date: | 2024-08-07 | | Last modified: | 2024-08-21 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Transient interactions modulate the affinity of NF-kappa B transcription factors for DNA.
Proc.Natl.Acad.Sci.USA, 121, 2024
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1UDU
 | | Crystal structure of Human Phosphodiesterase 5 complexed with tadalafil(Cialis) | | Descriptor: | 6-BENZO[1,3]DIOXOL-5-YL-2-METHYL-2,3,6,7,12,12A-HEXAHYDRO-PYRAZINO[1',2':1,6]PYRIDO[3,4-B]INDOLE-1,4-DIONE, MAGNESIUM ION, ZINC ION, ... | | Authors: | Sung, B.-J, Lee, J.I, Heo, Y.-S, Kim, J.H, Moon, J, Yoon, J.M, Hyun, Y.-L, Kim, E, Eum, S.J, Lee, T.G, Cho, J.M, Park, S.-Y, Lee, J.-O, Jeon, Y.H, Hwang, K.Y, Ro, S. | | Deposit date: | 2003-05-06 | | Release date: | 2004-05-11 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Structure of the catalytic domain of human phosphodiesterase 5 with bound drug molecules
Nature, 425, 2003
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5D94
 | | Crystal structure of LC3-LIR peptide complex | | Descriptor: | Microtubule-associated proteins 1A/1B light chain 3B, Peptide from FYVE and coiled-coil domain-containing protein 1 | | Authors: | Takagi, K, Mizushima, T, Johansen, T. | | Deposit date: | 2015-08-18 | | Release date: | 2015-10-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | FYCO1 Contains a C-terminally Extended, LC3A/B-preferring LC3-interacting Region (LIR) Motif Required for Efficient Maturation of Autophagosomes during Basal Autophagy
J.Biol.Chem., 290, 2015
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9J1N
 | | Mouse Spi-B Ets domain in complex with DNA containing AGAA sequence | | Descriptor: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, DNA (5'-D(*(3D1)P*TP*GP*AP*AP*AP*AP*GP*AP*GP*AP*AP*TP*TP*GP*G)-3'), DNA (5'-D(*(THM)P*CP*CP*AP*AP*TP*TP*CP*TP*CP*TP*TP*TP*TP*CP*A)-3'), ... | | Authors: | Nonaka, Y, Kamitori, S. | | Deposit date: | 2024-08-05 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural analysis of Spi-B DNA-binding Ets domain recognizing 5'-AGAA-3' and 5'-GGAA-3' sequences.
Biochem.Biophys.Res.Commun., 749, 2025
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9J1O
 | | Mouse Spi-B Ets domain in complex with DNA containing GGAA sequence | | Descriptor: | (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-tetrahydro-2-(hydroxymethyl)furan-3-ol, DNA (5'-D(*(3D1)P*TP*GP*AP*AP*AP*AP*GP*GP*GP*AP*AP*TP*TP*GP*G)-3'), DNA (5'-D(*(THM)P*CP*CP*AP*AP*TP*TP*CP*CP*CP*TP*TP*TP*TP*CP*A)-3'), ... | | Authors: | Nonaka, Y, Kamitori, S. | | Deposit date: | 2024-08-05 | | Release date: | 2025-06-18 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural analysis of Spi-B DNA-binding Ets domain recognizing 5'-AGAA-3' and 5'-GGAA-3' sequences.
Biochem.Biophys.Res.Commun., 749, 2025
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6Z3J
 | | Repulsive Guidance Molecule B (RGMB) in complex with Growth Differentiation Factor 5 (GDF5) (crystal form 1) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Malinauskas, T, Peer, T.V, Bishop, B, Muller, T.D, Siebold, C. | | Deposit date: | 2020-05-20 | | Release date: | 2020-07-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Repulsive guidance molecules lock growth differentiation factor 5 in an inhibitory complex.
Proc.Natl.Acad.Sci.USA, 117, 2020
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2VGP
 | | Crystal structure of Aurora B kinase in complex with a aminothiazole inhibitor | | Descriptor: | 4-[(5-bromo-1,3-thiazol-2-yl)amino]-N-methylbenzamide, INNER CENTROMERE PROTEIN A, SERINE/THREONINE-PROTEIN KINASE 12-A | | Authors: | Andersen, C.B, Wan, Y, Chang, J.W, Lee, C, Liu, Y, Sessa, F, Villa, F, Nallan, L, Musacchio, A, Gray, N.S. | | Deposit date: | 2007-11-15 | | Release date: | 2008-02-26 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of Selective Aminothiazole Aurora Kinase Inhibitors
Acs Chem.Biol., 3, 2008
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6T6A
 | | Crystal structure of DYRK1A complexed with KuFal319 (compound 11) | | Descriptor: | 4-chloranyl-5~{H}-cyclohepta[b]indol-10-one, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-10-18 | | Release date: | 2019-12-04 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | [ b ]-Annulated Halogen-Substituted Indoles as Potential DYRK1A Inhibitors.
Molecules, 24, 2019
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6KYD
 | | Structure of the R217A mutant of Clostridium difficile sortase B | | Descriptor: | Putative peptidase C60B, sortase B | | Authors: | Kang, C.Y, Huang, I.H, Wu, T.Y, Chang, J.C, Hsiao, Y.Y, Cheng, C.H, Tsai, W.J, Hsu, K.C, Wang, S.Y. | | Deposit date: | 2019-09-18 | | Release date: | 2020-02-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Functional analysis ofClostridium difficilesortase B reveals key residues for catalytic activity and substrate specificity.
J.Biol.Chem., 295, 2020
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