PDB: 19129 resultsInfo pagesStatus searchChemie searchBIRD

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7JWU	Crystal structure of human ALDH1A1 bound to compound (R)-28 Descriptor: 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... Authors: Hurley, T.D, Buchman, C. Deposit date: 2020-08-26 Release date: 2020-12-30 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
7JWT	Crystal structure of human ALDH1A1 bound to compound (R)-28 Descriptor: 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, Retinal dehydrogenase 1, ... Authors: Hurley, T.D, Buchman, C. Deposit date: 2020-08-26 Release date: 2020-12-30 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
3UN0	Crystal Structure of MDC1 FHA Domain Descriptor: Mediator of DNA damage checkpoint protein 1, SULFATE ION Authors: Clapperton, J.A, Lloyd, J, Haire, L.F, Li, J, Smerdon, S.J. Deposit date: 2011-11-15 Release date: 2011-12-28 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The molecular basis of ATM-dependent dimerization of the Mdc1 DNA damage checkpoint mediator. Nucleic Acids Res., 40, 2012
3UOT	Crystal Structure of MDC1 FHA Domain in Complex with a Phosphorylated Peptide from the MDC1 N-terminus Descriptor: Mediator of DNA damage checkpoint protein 1 Authors: Clapperton, J.A, Lloyd, J, Haire, L.F, Li, J, Smerdon, S.J. Deposit date: 2011-11-17 Release date: 2011-12-28 Last modified: 2012-07-18 Method: X-RAY DIFFRACTION (1.8 Å) Cite: The molecular basis of ATM-dependent dimerization of the Mdc1 DNA damage checkpoint mediator. Nucleic Acids Res., 40, 2012
3P06	Crystal structure of Tellina virus 1 VP4 protease in the form of an intra-molecular(cis)acyl-enzyme complex. Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, GLYCEROL, ... Authors: Chung, I.Y.W, Paetzel, M. Deposit date: 2010-09-27 Release date: 2011-02-02 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (2.1 Å) Cite: Crystal Structure of a Viral Protease Intramolecular Acyl-enzyme Complex: INSIGHTS INTO cis-CLEAVAGE AT THE VP4/VP3 JUNCTION OF TELLINA BIRNAVIRUS. J.Biol.Chem., 286, 2011
3Q9D	Crystal Structure of Cpn0803 from C. pneumoniae. Descriptor: Protein CPn_0803/CP_1068/CPj0803/CpB0832 Authors: Stone, C.B, Sugiman-Marangos, S.N, Junop, M.S, Mahony, J.B. Deposit date: 2011-01-07 Release date: 2012-01-11 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal Structure of Cpn0803 from C. pneumoniae. To be Published
2FPF	Crystal structure of the ib1 sh3 dimer at low resolution Descriptor: C-jun-amino-terminal kinase interacting protein 1 Authors: Kristensen, O, Dar, I, Gajhede, M. Deposit date: 2006-01-16 Release date: 2006-02-28 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (3 Å) Cite: A unique set of SH3-SH3 interactions controls IB1 homodimerization Embo J., 25, 2006
2FPD	Sad structure determination: crystal structure of the intrinsic dimerization sh3 domain of the ib1 scaffold protein Descriptor: C-jun-amino-terminal kinase interacting protein 1, SULFATE ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose Authors: Kristensen, O, Dar, I, Gajhede, M. Deposit date: 2006-01-16 Release date: 2006-02-28 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.05 Å) Cite: A unique set of SH3-SH3 interactions controls IB1 homodimerization Embo J., 25, 2006
2FPE	Conserved dimerization of the ib1 src-homology 3 domain Descriptor: C-jun-amino-terminal kinase interacting protein 1, HEXAETHYLENE GLYCOL, SULFATE ION, ... Authors: Guenat, S, Dar, I, Bonny, C, Kastrup, J.S, Gajhede, M, Kristensen, O. Deposit date: 2006-01-16 Release date: 2006-02-28 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.75 Å) Cite: A unique set of SH3-SH3 interactions controls IB1 homodimerization Embo J., 25, 2006
3O2M	Crystal Structure of JNK1-alpha1 isoform complex with a biaryl tetrazol (A-82118) Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, JIP1, 10MER PEPTIDE, ... Authors: Abad-Zapatero, C. Deposit date: 2010-07-22 Release date: 2011-01-12 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Discovery and characterization of non-ATP site inhibitors of the mitogen activated protein (MAP) kinases. Acs Chem.Biol., 6, 2011
3PTG	Design and Synthesis of a Novel, Orally Efficacious Tri-substituted Thiophene Based JNK Inhibitor Descriptor: C-Jun-amino-terminal kinase-interacting protein 1, Mitogen-activated protein kinase 10, N-[4-methyl-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide Authors: Bowers, S, Truong, A.P, Neitz, J, Neitzel, M, Probst, G.D, Hom, R.K, Konradi, A.W, Sham, H.L, Toth, G, Pan, H, Yao, N, Artis, D.R, Brigham, E.F, Quinn, K.P, Sauer, J, Powell, K, Ruslim, L, Bard, F, Yednock, T.A, Griswold-Prenner, I. Deposit date: 2010-12-02 Release date: 2011-03-02 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.43 Å) Cite: Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor. Bioorg.Med.Chem.Lett., 21, 2011
2RHE	STRUCTURE OF A NOVEL BENCE-JONES PROTEIN (RHE) FRAGMENT AT 1.6 ANGSTROMS RESOLUTION Descriptor: BENCE-JONES PROTEIN RHE (LIGHT CHAIN) Authors: Fureyjunior, W, Wang, B.C, Yoo, C.S, Sax, M. Deposit date: 1983-06-13 Release date: 1983-09-15 Last modified: 2017-11-29 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Structure of a novel Bence-Jones protein (Rhe) fragment at 1.6 A resolution. J.Mol.Biol., 167, 1983
5FV8	Structure of cJun-FosW coiled coil complex. Descriptor: CJUN, FOSW, GLYCEROL, ... Authors: Zaccai, N.R, Mason, J.M, Brady, R.L. Deposit date: 2016-02-03 Release date: 2017-06-07 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Helix-Constrained Fos-Based Peptides Inhibit Oncogenic Activator Protein-1 and Cancer Cell Proliferation To be Published
1HIP	TWO-ANGSTROM CRYSTAL STRUCTURE OF OXIDIZED CHROMATIUM HIGH POTENTIAL IRON PROTEIN Descriptor: HIGH POTENTIAL IRON PROTEIN, IRON/SULFUR CLUSTER Authors: Carterjunior, C.W, Kraut, J, Freer, S.T, Xuong, N.-H, Alden, R.A, Bartsch, R.G. Deposit date: 1975-04-01 Release date: 1976-11-22 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2 Å) Cite: Two-Angstrom crystal structure of oxidized Chromatium high potential iron protein. J.Biol.Chem., 249, 1974
4ODB	Crystal structure of the T1L reovirus attachment protein sigma1 in complex with Junctional Adhesion Molecule-A Descriptor: Junctional adhesion molecule A, Outer capsid protein sigma-1 Authors: Stettner, E, Stehle, T. Deposit date: 2014-01-10 Release date: 2015-04-01 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (3.2 Å) Cite: The JAM-A binding site is conserved in reovirus sigma1: Structure of the T1L sigma1-JAM-A complex To be Published
7ZUO	Crystal Structure of Ljungan virus 4 2A2 protein, P212121 form Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... Authors: von Castelmur, E, Perrakis, A. Deposit date: 2022-05-12 Release date: 2023-05-24 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.07 Å) Cite: Structural Plasticity of Parechovirus H/NC-motif 2A proteins To Be Published
7ZUA	Crystal Structure of Ljungan virus 4 2A2 protein I222 crystal form Descriptor: ACETATE ION, Protein 2A Authors: von Castelmur, E, Perrakis, A. Deposit date: 2022-05-11 Release date: 2023-05-24 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Structural plasticity of Parechovirus family H-box 2A proteins To Be Published
8A2F	Crystal Structure of Ljunganvirus 1 2A protein Descriptor: 2A protein Authors: von Castelmur, E, Zhu, L, Wang, X, Fry, E, Ren, J, Perrakis, A, Stuart, D.I. Deposit date: 2022-06-03 Release date: 2023-06-14 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Structural plasticity of 2A proteins in the Parechovirus family To Be Published
4SDH	HIGH RESOLUTION CRYSTALLOGRAPHIC ANALYSIS OF A COOPERATIVE DIMERIC HEMOGLOBIN Descriptor: HEMOGLOBIN I (DEOXY), PROTOPORPHYRIN IX CONTAINING FE Authors: Royerjunior, W.E. Deposit date: 1993-06-23 Release date: 1993-10-31 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.6 Å) Cite: High-resolution crystallographic analysis of a co-operative dimeric hemoglobin. J.Mol.Biol., 235, 1994
2CNA	THE COVALENT AND THREE-DIMENSIONAL STRUCTURE OF CONCANAVALIN A, IV.ATOMIC COORDINATES,HYDROGEN BONDING,AND QUATERNARY STRUCTURE Descriptor: CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION Authors: Reekejunior, G.N, Becker, J.W, Edelman, G.M. Deposit date: 1975-04-01 Release date: 1977-03-16 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2 Å) Cite: The covalent and three-dimensional structure of concanavalin A. IV. Atomic coordinates, hydrogen bonding, and quaternary structure. J.Biol.Chem., 250, 1975
3SDH	HIGH RESOLUTION CRYSTALLOGRAPHIC ANALYSIS OF A COOPERATIVE DIMERIC HEMOGLOBIN Descriptor: CARBON MONOXIDE, HEMOGLOBIN I (CARBONMONOXY), PROTOPORPHYRIN IX CONTAINING FE Authors: Royerjunior, W.E. Deposit date: 1993-06-23 Release date: 1993-10-31 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.4 Å) Cite: High-resolution crystallographic analysis of a co-operative dimeric hemoglobin. J.Mol.Biol., 235, 1994
8CGO	Structure of human butyrylcholinesterase in complex with N-{[2-(benzyloxy)-3-methoxyphenyl]methyl}-N-[3-(2-fluorophenyl)propyl]cyclobutanamine Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Brazzolotto, X, Pidany, F, Korabecny, J, Cahlikova, L, Nachon, F. Deposit date: 2023-02-06 Release date: 2023-06-14 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Highly selective butyrylcholinesterase inhibitors related to Amaryllidaceae alkaloids - Design, synthesis, and biological evaluation. Eur.J.Med.Chem., 252, 2023
7YO9	Crystal structure of fusion protein of human TP53INP2 LIR and human GABARAP Descriptor: ISOPROPYL ALCOHOL, PHOSPHATE ION, Tumor protein p53-inducible nuclear protein 2,Gamma-aminobutyric acid receptor-associated protein Authors: Yamasaki, A, Noda, N.N. Deposit date: 2022-08-01 Release date: 2022-11-02 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.75 Å) Cite: Development of new tools to study membrane-anchored mammalian Atg8 proteins. Autophagy, 19, 2023
5NUU	Torpedo californica acetylcholinesterase in complex with a chlorotacrine-tryptophan hybrid inhibitor Descriptor: (2~{S})-2-azanyl-~{N}-[6-[(6-chloranyl-1,2,3,4-tetrahydroacridin-9-yl)amino]hexyl]-3-(1~{H}-indol-3-yl)propanamide, Acetylcholinesterase, 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, ... Authors: Caliandro, R, Pesaresi, A, Lamba, D. Deposit date: 2017-05-02 Release date: 2018-05-30 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Novel tacrine-tryptophan hybrids: Multi-target directed ligands as potential treatment for Alzheimer's disease. Eur.J.Med.Chem., 168, 2019
1UKH	Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125 Descriptor: 11-mer peptide from C-jun-amino-terminal kinase interacting protein 1, Mitogen-activated protein kinase 8 isoform 4 Authors: Heo, Y.-S, Kim, Y.K, Sung, B.-J, Lee, H.S, Lee, J.I, Seo, C.I, Park, S.-Y, Kim, J.H, Hyun, Y.-L, Jeon, Y.H, Ro, S, Lee, T.G, Cho, J.M, Hwang, K.Y, Yang, C.-H. Deposit date: 2003-08-23 Release date: 2004-08-30 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Structural basis for the selective inhibition of JNK1 by the scaffolding protein JIP1 and SP600125 Embo J., 23, 2004

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