5AAG
 
 | | Aurora A kinase bound to an imidazopyridine inhibitor (14b) | | Descriptor: | AURORA KINASE A, [3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone | | Authors: | McIntyre, P.J, Bayliss, R. | | Deposit date: | 2015-07-24 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
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5AAD
 | | Aurora A kinase bound to an imidazopyridine inhibitor (7a) | | Descriptor: | 7-(1-benzyl-1H-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine, AURORA KINASE A, SULFATE ION | | Authors: | McIntyre, P.J, Kosmopoulou, M, Bayliss, R. | | Deposit date: | 2015-07-24 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
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5AAE
 | | Aurora A kinase bound to an imidazopyridine inhibitor (14d) | | Descriptor: | 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-5-methylisoxazole, AURORA KINASE A | | Authors: | McIntyre, P.J, Bayliss, R. | | Deposit date: | 2015-07-24 | | Release date: | 2015-09-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Bioorg.Med.Chem.Lett., 25, 2015
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4GKO
 | | Crystal structure of the calcium2+-bound human IgE-Fc(epsilon)3-4 bound to its B cell receptor derCD23 | | Descriptor: | CALCIUM ION, Ig epsilon chain C region, Low affinity immunoglobulin epsilon Fc receptor, ... | | Authors: | Yuan, D, Sutton, B.J, Dhaliwal, B. | | Deposit date: | 2012-08-13 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Ca2+-dependent Structural Changes in the B-cell Receptor CD23 Increase Its Affinity for Human Immunoglobulin E.
J.Biol.Chem., 288, 2013
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4FQJ
 | | Influenza B/Florida/4/2006 hemagglutinin Fab CR8071 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, antibody CR8071 heavy chain, ... | | Authors: | Dreyfus, C, Laursen, N.S, Wilson, I.A. | | Deposit date: | 2012-06-25 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
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1TUQ
 | | NMR Structure Analysis of the B-DNA Dodecamer CTCtCACGTGGAG with a tricyclic cytosin base analogue | | Descriptor: | 5'-D(P*CP*TP*CP*(TC1)P*AP*CP*GP*TP*GP*GP*AP*G)-3' | | Authors: | Engman, K.C, Sandin, P, Osborne, S, Brown, T, Billeter, M, Lincoln, P, Norden, B, Albinsson, B, Wilhelmsson, L.M. | | Deposit date: | 2004-06-25 | | Release date: | 2004-10-05 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | DNA adopts normal B-form upon incorporation of highly fluorescent DNA base analogue tC: NMR structure and UV-Vis spectroscopy characterization.
Nucleic Acids Res., 32, 2004
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3JV4
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3JSD
 | | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus | | Descriptor: | CHLORIDE ION, Insulin A chain, Insulin B chain, ... | | Authors: | Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G. | | Deposit date: | 2009-09-10 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
To be Published
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3C4E
 | | Pim-1 Kinase Domain in Complex with 3-aminophenyl-7-azaindole | | Descriptor: | IMIDAZOLE, N-phenyl-1H-pyrrolo[2,3-b]pyridin-3-amine, Proto-oncogene serine/threonine-protein kinase Pim-1 | | Authors: | Zhang, K.Y.J, Wang, W. | | Deposit date: | 2008-01-29 | | Release date: | 2008-02-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
Proc.Natl.Acad.Sci.Usa, 105, 2008
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3C4F
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2BVO
 | | Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression | | Descriptor: | BETA-2-MICROGLOBULIN, GAG PROTEIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Stewart-Jones, G.B, Gillespie, G, Overton, I.M, Kaul, R, Roche, P, Mcmichael, A.J, Rowland-Jones, S, Jones, E.Y. | | Deposit date: | 2005-07-01 | | Release date: | 2005-09-13 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structures of three HIV-1 HLA-B*5703-peptide complexes and identification of related HLAs potentially associated with long-term nonprogression.
J Immunol., 175, 2005
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3GPJ
 | | Crystal structure of the yeast 20S proteasome in complex with syringolin B | | Descriptor: | N-{[(1S)-2-methyl-1-{[(5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Huber, R, Kaiser, M. | | Deposit date: | 2009-03-23 | | Release date: | 2009-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Synthetic and structural studies on syringolin A and B reveal critical determinants of selectivity and potency of proteasome inhibition
Proc.Natl.Acad.Sci.USA, 106, 2009
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4O4X
 | | Crystal structure of the vaccine antigen Transferrin Binding Protein B (TbpB) double mutant Tyr-167-Ala and Trp-176-Ala from Haemophilus parasuis Hp5 | | Descriptor: | GLYCEROL, SODIUM ION, SULFATE ION, ... | | Authors: | Calmettes, C, Yu, R.H, Schryvers, A.B, Moraes, T.F. | | Deposit date: | 2013-12-19 | | Release date: | 2015-01-14 | | Last modified: | 2015-03-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Nonbinding site-directed mutants of transferrin binding protein B exhibit enhanced immunogenicity and protective capabilities.
Infect.Immun., 83, 2015
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2BVP
 | | Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression | | Descriptor: | BETA-2-MICROGLOBULIN, HIV-P24, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Stewart-Jones, G.B, Gillespie, G, Overton, I.M, Kaul, R, Roche, P, Mcmichael, A.J, Rowland-Jones, S, Jones, E.Y. | | Deposit date: | 2005-07-01 | | Release date: | 2005-09-07 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structures of three HIV-1 HLA-B*5703-peptide complexes and identification of related HLAs potentially associated with long-term nonprogression.
J Immunol., 175, 2005
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1K08
 | | Crystallographic Binding Study of 10 mM N-benzoyl-N'-beta-D-glucopyranosyl urea to glycogen phosphorylase b | | Descriptor: | Glycogen Phosphorylase, N-[(phenylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Oikonomakos, N.G, Kosmopoulou, M, Zographos, S.E, Leonidas, D.D, Chrysina, E.D, Somsak, L, Nagy, V, Praly, J.P, Docsa, T, Toth, B, Gergely, P. | | Deposit date: | 2001-09-18 | | Release date: | 2001-10-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Binding of N-acetyl-N '-beta-D-glucopyranosyl urea and N-benzoyl-N '-beta-D-glucopyranosyl urea to glycogen phosphorylase b: kinetic and crystallographic studies.
Eur.J.Biochem., 269, 2002
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1NOU
 | | Native human lysosomal beta-hexosaminidase isoform B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ... | | Authors: | Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G. | | Deposit date: | 2003-01-16 | | Release date: | 2003-04-08 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease
J.Mol.Biol., 327, 2003
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1CNV
 | | CRYSTAL STRUCTURE OF CONCANAVALIN B AT 1.65 A RESOLUTION | | Descriptor: | CONCANAVALIN B | | Authors: | Hennig, M. | | Deposit date: | 1995-02-20 | | Release date: | 1996-03-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of concanavalin B at 1.65 A resolution. An "inactivated" chitinase from seeds of Canavalia ensiformis.
J.Mol.Biol., 254, 1995
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1KTI
 | | BINDING OF 100 MM N-ACETYL-N'-BETA-D-GLUCOPYRANOSYL UREA TO GLYCOGEN PHOSPHORYLASE B: KINETIC AND CRYSTALLOGRAPHIC STUDIES | | Descriptor: | GLYCOGEN PHOSPHORYLASE, MUSCLE FORM, N-(acetylcarbamoyl)-beta-D-glucopyranosylamine, ... | | Authors: | Oikonomakos, N.G, Kosmopoulou, M, Zographos, S.E, Leonidas, D.D, Chrysina, E.D, Somsak, L, Nagy, V, Praly, J.P, Docsa, T, Toth, B, Gergely, P. | | Deposit date: | 2002-01-16 | | Release date: | 2002-01-30 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Binding of N-acetyl-N'-beta-D-glucopyranosyl urea and N-benzoyl-N'-beta-D-glucopyranosyl urea to glycogen phosphorylase b: kinetic and crystallographic studies.
Eur.J.Biochem., 269, 2002
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1W6Y
 | | crystal structure of a mutant W92A in ketosteroid isomerase (KSI) from Pseudomonas putida biotype B | | Descriptor: | BETA-MERCAPTOETHANOL, EQUILENIN, STEROID DELTA-ISOMERASE | | Authors: | Yun, Y.S, Nam, G.H, Kim, Y.-G, Oh, B.-H, Choi, K.Y. | | Deposit date: | 2004-08-25 | | Release date: | 2005-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Small Exterior Hydrophobic Cluster Contributes to Conformational Stability and Steroid Binding in Ketosteroid Isomerase from Pseudomonas Putida Biotype B
FEBS J., 272, 2005
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1NOW
 | | Human lysosomal beta-hexosaminidase isoform B in complex with (2R,3R,4S,5R)-2-Acetamido-3,4-Dihydroxy-5-Hydroxymethyl-Piperidinium Chloride (GalNAc-isofagomine) | | Descriptor: | (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Mark, B.L, Mahuran, D.J, Cherney, M.M, Zhao, D, Knapp, S, James, M.N.G. | | Deposit date: | 2003-01-16 | | Release date: | 2003-04-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of Human beta-hexosaminidase B: Understanding the molecular basis of Sandhoff and Tay-Sachs disease
J.Mol.Biol., 327, 2003
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2BVQ
 | | Structures of Three HIV-1 HLA-B5703-Peptide Complexes and Identification of Related HLAs Potentially Associated with Long-Term Non-Progression | | Descriptor: | BETA-2-MICROGLOBULIN, HIV-P24, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | | Authors: | Stewart-Jones, G.B, Gillespie, G, Overton, I.M, Kaul, R, Roche, P, Mcmichael, A.J, Rowland-Jones, S, Jones, E.Y. | | Deposit date: | 2005-07-01 | | Release date: | 2005-09-07 | | Last modified: | 2019-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of three HIV-1 HLA-B*5703-peptide complexes and identification of related HLAs potentially associated with long-term nonprogression.
J Immunol., 175, 2005
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2Y5Q
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6K59
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4E4X
 | | Crystal Structure of B-Raf Kinase Domain in Complex with a Dihydropyrido[2,3-d]pyrimidinone-based Inhibitor | | Descriptor: | N-(2,4-difluoro-3-{2-[(3-hydroxypropyl)amino]-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl}phenyl)propane-1-sulfonamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Sturgis, H.L. | | Deposit date: | 2012-03-13 | | Release date: | 2012-05-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | The discovery of potent and selective pyridopyrimidin-7-one based inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 22, 2012
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6ANL
 | | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors | | Descriptor: | Mitogen-activated protein kinase 14, TAK-715 | | Authors: | Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C. | | Deposit date: | 2017-08-14 | | Release date: | 2018-01-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018
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