3V89
 
 | | The crystal structure of transferrin binding protein A (TbpA) from Neisseria meningitidis serogroup B in complex with the C-lobe of human transferrin | | Descriptor: | Serotransferrin, Transferrin-binding protein A | | Authors: | Noinaj, N, Oke, M, Easley, N, Zak, O, Aisen, P, Buchanan, S.K. | | Deposit date: | 2011-12-22 | | Release date: | 2012-02-15 | | Last modified: | 2012-04-18 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structural basis for iron piracy by pathogenic Neisseria.
Nature, 483, 2012
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3VE1
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5IPJ
 | | Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolopyrrolone inhibitor. | | Descriptor: | 2-(tert-butylamino)-3-methyl-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1 | | Authors: | Mohr, C. | | Deposit date: | 2016-03-09 | | Release date: | 2016-06-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and Optimization of Quinazolinone-pyrrolopyrrolones as Potent and Orally Bioavailable Pan-Pim Kinase Inhibitors.
J.Med.Chem., 59, 2016
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5I8C
 | | Crystal Structure of HIV-1 Clade A BG505 Fusion Peptide (residue 512-520) in Complex with Broadly Neutralizing Antibody VRC34.01 Fab | | Descriptor: | HIV-1 Clade A BG505 Fusion Peptide (residue 512-520), VRC34.01 Fab heavy chain, VRC34.01 Fab light chain | | Authors: | Xu, K, Zhou, T, Liu, K, Kwong, P.D. | | Deposit date: | 2016-02-18 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
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5XRT
 | | Crystal structure of A/Minnesota/11/2010 (H3N2) influenza virus 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Zhang, H, Wilson, I.A. | | Deposit date: | 2017-06-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | A multifunctional human monoclonal neutralizing antibody that targets a unique conserved epitope on influenza HA.
Nat Commun, 9, 2018
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5XRS
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5XRQ
 | | Crystal structure of human monoclonal antibody H3v-47 | | Descriptor: | Fab H3v-47 heavy chain, Fab H3v-47 light chain | | Authors: | Zhang, H, Willson, I.A. | | Deposit date: | 2017-06-09 | | Release date: | 2018-07-25 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A multifunctional human monoclonal neutralizing antibody that targets a unique conserved epitope on influenza HA.
Nat Commun, 9, 2018
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6CPW
 | | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology | | Descriptor: | (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Hruza, A, Hruza, A. | | Deposit date: | 2018-03-14 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery of 3(S)-thiomethyl pyrrolidine ERK inhibitors for oncology.
Bioorg. Med. Chem. Lett., 28, 2018
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4GE7
 | | Kynurenine Aminotransferase II Inhibitors | | Descriptor: | (5-hydroxy-4-{[(1-hydroxy-2-oxo-6-phenoxy-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | Authors: | Pandit, J. | | Deposit date: | 2012-08-01 | | Release date: | 2012-11-07 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions.
ACS Med Chem Lett, 4, 2013
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4GE4
 | | Kynurenine Aminotransferase II Inhibitors | | Descriptor: | (5-hydroxy-4-{[(1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | Authors: | Pandit, J. | | Deposit date: | 2012-08-01 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions.
ACS Med Chem Lett, 4, 2013
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4GDY
 | | Kynurenine Aminotransferase II inhibitors | | Descriptor: | (5-hydroxy-6-methyl-4-{[(1-oxo-7-phenoxy-1,2-dihydro[1,2,4]triazolo[4,3-a]quinolin-4-yl)amino]methyl}pyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | Authors: | Pandit, J. | | Deposit date: | 2012-08-01 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Discovery of Hydroxamate Bioisosteres as KATII Inhibitors with Improved Oral Bioavailability and Pharmacokinetics
MEDCHEMCOMM, 2012
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4GE9
 | | Kynurenine Aminotransferase II Inhibitors | | Descriptor: | (4-{[(6-benzyl-1-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | | Authors: | Pandit, J. | | Deposit date: | 2012-08-01 | | Release date: | 2012-11-07 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions.
ACS Med Chem Lett, 4, 2013
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3D0T
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2C0A
 | | Mechanism of the Class I KDPG aldolase | | Descriptor: | KHG/KDPG ALDOLASE, PHOSPHATE ION | | Authors: | Hutchins, M.J, Fullerton, S.W.B, Toone, E.J, Naismith, J.H. | | Deposit date: | 2005-08-29 | | Release date: | 2005-09-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Mechanism of the Class I Kdpg Aldolase.
Bioorg.Med.Chem., 14, 2006
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2RNM
 | | Structure of The HET-s(218-289) prion in its amyloid form obtained by solid-state NMR | | Descriptor: | Small s protein | | Authors: | Wasmer, C, Lange, A, Van Melckebeke, H, Siemer, A, Riek, R, Meier, B.H. | | Deposit date: | 2008-01-24 | | Release date: | 2008-04-01 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Amyloid fibrils of the HET-s(218-289) prion form a beta solenoid with a triangular hydrophobic core
Science, 319, 2008
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2BS9
 | | Native crystal structure of a GH39 beta-xylosidase XynB1 from Geobacillus stearothermophilus | | Descriptor: | BETA-XYLOSIDASE, CALCIUM ION | | Authors: | Czjzek, M, Bravman, T, Henrissat, B, Shoham, Y. | | Deposit date: | 2005-05-19 | | Release date: | 2005-10-12 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Enzyme-Substrate Complex Structures of a Gh39 Beta-Xylosidase from Geobacillus Stearothermophilus.
J.Mol.Biol., 353, 2005
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2RFN
 | | x-ray structure of c-Met with inhibitor. | | Descriptor: | 2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor | | Authors: | Bellon, S.F, Kaplan-Lefko, P, Yang, Y, Zhang, Y, Moriguchi, J, Dussault, I. | | Deposit date: | 2007-10-01 | | Release date: | 2007-11-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | c-Met inhibitors with novel binding mode show activity against several hereditary papillary renal cell carcinoma-related mutations.
J.Biol.Chem., 283, 2008
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3DCT
 | | FXR with SRC1 and GW4064 | | Descriptor: | 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid, Bile acid receptor, Nuclear receptor coactivator 1 | | Authors: | Williams, S.P, Madauss, K.P. | | Deposit date: | 2008-06-04 | | Release date: | 2008-08-12 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.
Bioorg.Med.Chem.Lett., 18, 2008
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3LCC
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3LRN
 | | Crystal structure of human RIG-I CTD bound to a 14 bp GC 5' ppp dsRNA | | Descriptor: | Probable ATP-dependent RNA helicase DDX58, RNA (5'-R(*(GTP)P*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3'), ZINC ION | | Authors: | Li, P. | | Deposit date: | 2010-02-11 | | Release date: | 2010-06-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Structural Basis of 5' Triphosphate Double-Stranded RNA Recognition by RIG-I C-Terminal Domain.
Structure, 18, 2010
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7PB2
 | | Crystal structure of JDI TCR in complex with HLA-A*11:01 bound to KRAS G12D peptide (VVVGADGVGK) | | Descriptor: | Beta-2-microglobulin, KRAS G12D peptide (VVVGADGVGK), MHC class I antigen, ... | | Authors: | Coles, C.H, Karuppiah, V, Robinson, R.A. | | Deposit date: | 2021-07-30 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.41 Å) | | Cite: | Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen
Nat Commun, 13, 2022
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7OW5
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7OW3
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7OW6
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7OW4
 | | Crystal structure of HLA-A*11:01 in complex with KRAS G12D peptide (VVVGADGVGK) | | Descriptor: | Beta-2-microglobulin, KRAS G12D peptide (VVVGADGVGK), MHC class I antigen, ... | | Authors: | Coles, C.H, Karuppiah, V, Robinson, R.A. | | Deposit date: | 2021-06-16 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Therapeutic high affinity T cell receptor targeting a KRASG12D cancer neoantigen
Nat Commun, 13, 2022
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