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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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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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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1JGR
 | | Crystal Structure Analysis of the B-DNA Dodecamer CGCGAATTCGCG with Thallium Ions. | | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION, THALLIUM (I) ION | | Authors: | Howerton, S.B, Sines, C.C, VanDerveer, D, Williams, L.D. | | Deposit date: | 2001-06-26 | | Release date: | 2001-09-05 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Locating monovalent cations in the grooves of B-DNA.
Biochemistry, 40, 2001
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2X6E
 | | Aurora-A bound to an inhibitor | | Descriptor: | 6-BROMO-7-{4-[(5-METHYLISOXAZOL-3-YL)METHYL]PIPERAZIN-1-YL}-2-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-IMIDAZO[4,5-B]PYRIDINE, SERINE/THREONINE-PROTEIN KINASE 6 | | Authors: | Kosmopoulou, M, Bayliss, R. | | Deposit date: | 2010-02-17 | | Release date: | 2010-07-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate.
J. Med. Chem., 53, 2010
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4EZM
 | | Crystal structure of the human IgE-Fc(epsilon)3-4 bound to its B cell receptor derCD23 | | Descriptor: | Ig epsilon chain C region, Low affinity immunoglobulin epsilon Fc receptor, alpha-D-mannopyranose, ... | | Authors: | Dhaliwal, B, Yuan, D, Sutton, B.J. | | Deposit date: | 2012-05-03 | | Release date: | 2012-07-18 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structure of IgE bound to its B-cell receptor CD23 reveals a mechanism of reciprocal allosteric inhibition with high affinity receptor Fc{varepsilon}RI.
Proc.Natl.Acad.Sci.USA, 109, 2012
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1GOZ
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4FQM
 | | Structure of B/Brisbane/60/2008 Influenza Hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | | 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 (3.45 Å) | | Cite: | Highly conserved protective epitopes on influenza B viruses.
Science, 337, 2012
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3OG7
 | | B-Raf Kinase V600E oncogenic mutant in complex with PLX4032 | | Descriptor: | AKAP9-BRAF fusion protein, N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide | | Authors: | Zhang, Y, Zhang, K.Y, Zhang, C. | | Deposit date: | 2010-08-16 | | Release date: | 2010-09-22 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Clinical efficacy of a RAF inhibitor needs broad target blockade in BRAF-mutant melanoma.
Nature, 467, 2010
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2JUN
 | | Structure of the MID1 tandem B-boxes reveals an interaction reminiscent of intermolecular RING heterodimers | | Descriptor: | Midline-1, ZINC ION | | Authors: | Tao, H, Singireddy, S, Jakkidi, M, Simmons, B.N, Short, K.M, Cox, T.C, Massiah, M.A. | | Deposit date: | 2007-08-31 | | Release date: | 2008-03-04 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Structure of the MID1 Tandem B-Boxes Reveals an Interaction Reminiscent of Intermolecular Ring Heterodimers
Biochemistry, 47, 2008
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1A7L
 | | DOMINANT B-CELL EPITOPE FROM THE PRES2 REGION OF HEPATITIS B VIRUS IN THE FORM OF AN INSERTED PEPTIDE SEGMENT IN MALTODEXTRIN-BINDING PROTEIN | | Descriptor: | MALE-B363, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Saul, F.A, Vulliez-Lenormand, B, Lema, F, Bentley, G.A. | | Deposit date: | 1998-03-16 | | Release date: | 1998-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of a dominant B-cell epitope from the preS2 region of hepatitis B virus in the form of an inserted peptide segment in maltodextrin-binding protein.
J.Mol.Biol., 280, 1998
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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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2RFU
 | | Crystal structure of influenza B virus hemagglutinin in complex with LSTc receptor analog | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Influenza B hemagglutinin (HA), ... | | Authors: | Wang, Q, Tian, X, Chen, X, Ma, J. | | Deposit date: | 2007-10-01 | | Release date: | 2008-02-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for receptor specificity of influenza B virus hemagglutinin.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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2RFT
 | | Crystal structure of influenza B virus hemagglutinin in complex with LSTa receptor analog | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Influenza B hemagglutinin (HA), ... | | Authors: | Wang, Q, Tian, X, Chen, X, Ma, J. | | Deposit date: | 2007-10-01 | | Release date: | 2008-02-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis for receptor specificity of influenza B virus hemagglutinin.
Proc.Natl.Acad.Sci.Usa, 104, 2007
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5OOI
 | | STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA') IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P | | Descriptor: | 1,2-ETHANEDIOL, 4-(3-methylbut-2-enoxy)-5-propan-2-yl-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione, ACETATE ION, ... | | Authors: | Hochscherf, J, Lindenblatt, D, Witulski, B, Birus, R, Aichele, D, Marminon, C, Bouaziz, Z, Le Borgne, M, Jose, J, Niefind, K. | | Deposit date: | 2017-08-07 | | Release date: | 2017-12-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2 alpha and Its Paralog CK2 alpha '.
Pharmaceuticals (Basel), 10, 2017
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4HWY
 | | Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Redecke, L, Nass, K, DePonte, D.P, White, T.A, Rehders, D, Barty, A, Stellato, F, Liang, M, Barends, T.R.M, Boutet, S, Williams, G.W, Messerschmidt, M, Seibert, M.M, Aquila, A, Arnlund, D, Bajt, S, Barth, T, Bogan, M.J, Caleman, C, Chao, T.-C, Doak, R.B, Fleckenstein, H, Frank, M, Fromme, R, Galli, L, Grotjohann, I, Hunter, M.S, Johansson, L.C, Kassemeyer, S, Katona, G, Kirian, R.A, Koopmann, R, Kupitz, C, Lomb, L, Martin, A.V, Mogk, S, Neutze, R, Shoemann, R.L, Steinbrener, J, Timneanu, N, Wang, D, Weierstall, U, Zatsepin, N.A, Spence, J.C.H, Fromme, P, Schlichting, I, Duszenko, M, Betzel, C, Chapman, H. | | Deposit date: | 2012-11-09 | | Release date: | 2012-12-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser.
Science, 339, 2013
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2JC3
 | | Structure of O-Acetylserine Sulfhydrylase B from Salmonella Typhimurium | | Descriptor: | O-ACETYLSERINE SULFHYDRYLASE B, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Chattopadhyay, A, Rabeh, W.M, Speroni, F, Meier, M, Ivaninskii, S, Mozzarelli, A, Burkhard, P, Cook, P.F. | | Deposit date: | 2006-12-19 | | Release date: | 2007-01-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure, Mechanism, and Conformational Dynamics of O-Acetylserine Sulfhydrylase from Salmonella Typhimurium: Comparison of a and B Isozymes.
Biochemistry, 46, 2007
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1BOS
 | | SHIGA-LIKE TOXIN COMPLEXED WITH ITS RECEPTOR | | Descriptor: | SHIGA-LIKE TOXIN I B SUBUNIT, alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose, alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ... | | Authors: | Ling, H, Boodhoo, A, Hazes, B, Cummings, M.D, Armstrong, G.D, Brunton, J.L, Read, R.J. | | Deposit date: | 1998-01-13 | | Release date: | 1999-02-02 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of the shiga-like toxin I B-pentamer complexed with an analogue of its receptor Gb3.
Biochemistry, 37, 1998
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4IWD
 | | Structure of dually phosphorylated c-MET receptor kinase in complex with an MK-8033 analog | | Descriptor: | 1-{5-oxo-3-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl}-N-(pyridin-2-ylmethyl)methanesulfonamide, Hepatocyte growth factor receptor | | Authors: | Soisson, S.M, Northrup, A, Rickert, K, Patel, S, Allison, T. | | Deposit date: | 2013-01-23 | | Release date: | 2013-12-11 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Discovery of 1-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide (MK-8033): A Specific c-Met/Ron dual kinase inhibitor with preferential affinity for the activated state of c-Met.
J.Med.Chem., 56, 2013
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4J6K
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161D
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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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1GPB
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3BT6
 | | Crystal Structure of Influenza B Virus Hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, Q, Cheng, F, Lu, M, Tian, X, Ma, J. | | Deposit date: | 2007-12-27 | | Release date: | 2008-05-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of unliganded influenza B virus hemagglutinin.
J.Virol., 82, 2008
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3C4F
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