6H4Y
 
 | | Crystal structure of human KDM4A in complex with compound 17e | | Descriptor: | 8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Le Bihan, Y.V, van Montfort, R.L.M. | | Deposit date: | 2018-07-23 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | C8-substituted pyrido[3,4-d]pyrimidin-4(3H)-ones: Studies towards the identification of potent, cell penetrant Jumonji C domain containing histone lysine demethylase 4 subfamily (KDM4) inhibitors, compound profiling in cell-based target engagement assays.
Eur.J.Med.Chem., 177, 2019
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6FXH
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2OG8
 | | crystal structure of aminoquinazoline 36 bound to Lck | | Descriptor: | N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[2-(METHYLAMINO)QUINAZOLIN-6-YL]BENZAMIDE, Proto-oncogene tyrosine-protein kinase LCK | | Authors: | Huang, X. | | Deposit date: | 2007-01-05 | | Release date: | 2007-02-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Aminoquinazolines as Potent, Orally Bioavailable Inhibitors of Lck: Synthesis, SAR, and in Vivo Anti-Inflammatory Activity
J.Med.Chem., 49, 2006
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4MNG
 | | Structure of the DP10.7 TCR with CD1d-sulfatide | | Descriptor: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ... | | Authors: | Luoma, A.M, Adams, E.J. | | Deposit date: | 2013-09-10 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.0058 Å) | | Cite: | Crystal Structure of V delta 1 T Cell Receptor in Complex with CD1d-Sulfatide Shows MHC-like Recognition of a Self-Lipid by Human gamma delta T Cells.
Immunity, 39, 2013
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4ET0
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4MQ7
 | | Structure of human CD1d-sulfatide | | Descriptor: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ... | | Authors: | Luoma, A.M, Adams, E.J. | | Deposit date: | 2013-09-15 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6032 Å) | | Cite: | Crystal Structure of V delta 1 T Cell Receptor in Complex with CD1d-Sulfatide Shows MHC-like Recognition of a Self-Lipid by Human gamma delta T Cells.
Immunity, 39, 2013
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1MYN
 | | SOLUTION STRUCTURE OF DROSOMYCIN, THE FIRST INDUCIBLE ANTIFUNGAL PROTEIN FROM INSECTS, NMR, 15 STRUCTURES | | Descriptor: | DROSOMYCIN | | Authors: | Landon, C, Sodano, P, Hetru, C, Hoffmann, J.A, Ptak, M. | | Deposit date: | 1996-12-26 | | Release date: | 1997-12-31 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure of drosomycin, the first inducible antifungal protein from insects.
Protein Sci., 6, 1997
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4NDM
 | | Structure of the AB18.1 TCR | | Descriptor: | Human nkt tcr alpha chain, T-cell gamma protein,T-cell receptor beta-2 chain C region | | Authors: | Luoma, A.M, Adams, E.J. | | Deposit date: | 2013-10-27 | | Release date: | 2013-12-18 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.0065 Å) | | Cite: | Crystal Structure of V delta 1 T Cell Receptor in Complex with CD1d-Sulfatide Shows MHC-like Recognition of a Self-Lipid by Human gamma delta T Cells.
Immunity, 39, 2013
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4MNH
 | | Structure of the DP10.7 TCR | | Descriptor: | Human nkt tcr alpha chain, T-cell receptor gamma chain V region PT-gamma-1/2, Human nkt tcr beta chain | | Authors: | Luoma, A.M, Adams, E.J. | | Deposit date: | 2013-09-10 | | Release date: | 2013-12-18 | | Last modified: | 2017-06-14 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Crystal Structure of V delta 1 T Cell Receptor in Complex with CD1d-Sulfatide Shows MHC-like Recognition of a Self-Lipid by Human gamma delta T Cells.
Immunity, 39, 2013
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3ZWL
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3QQU
 | | Cocrystal structure of unphosphorylated igf with pyrimidine 8 | | Descriptor: | Insulin-like growth factor 1 receptor, N~2~-[3-methoxy-4-(morpholin-4-yl)phenyl]-N~4~-(quinolin-3-yl)pyrimidine-2,4-diamine | | Authors: | Huang, X. | | Deposit date: | 2011-02-16 | | Release date: | 2011-04-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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4H4B
 | | Human cytosolic 5'-nucleotidase II in complex with Anthraquinone-2,6- disulfonic acid | | Descriptor: | 9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid, Cytosolic purine 5'-nucleotidase, GLYCEROL, ... | | Authors: | Rhimi, M, Aghajari, N. | | Deposit date: | 2012-09-17 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Identification and characterization of inhibitors of cytoplasmic 5'-nucleotidase cN-II issued from virtual screening.
Biochem Pharmacol, 85, 2013
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3EYC
 | | New crystal structure of human tear lipocalin in complex with 1,4-butanediol in space group P21 | | Descriptor: | 1,4-BUTANEDIOL, Lipocalin-1 | | Authors: | Breustedt, D.A, Keil, L, Skerra, A. | | Deposit date: | 2008-10-20 | | Release date: | 2009-10-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A new crystal form of human tear lipocalin reveals high flexibility in the loop region and induced fit in the ligand cavity
Acta Crystallogr.,Sect.D, 65, 2009
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1BKO
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1BSF
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1BKP
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3BYS
 | | co-crystal structure of Lck and aminopyrimidine amide 10b | | Descriptor: | 4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, Proto-oncogene tyrosine-protein kinase LCK | | Authors: | Huang, X. | | Deposit date: | 2008-01-16 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation.
J.Med.Chem., 51, 2008
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1MEY
 | | CRYSTAL STRUCTURE OF A DESIGNED ZINC FINGER PROTEIN BOUND TO DNA | | Descriptor: | CHLORIDE ION, CONSENSUS ZINC FINGER, DNA (5'-D(*AP*TP*GP*AP*GP*GP*CP*AP*GP*AP*AP*CP*T)-3'), ... | | Authors: | Kim, C.A, Berg, J.M. | | Deposit date: | 1996-09-27 | | Release date: | 1997-03-12 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A 2.2 A Resolution Crystal Structure of a Designed Zinc Finger Protein Bound to DNA
Nat.Struct.Biol., 3, 1996
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1D6B
 | | SOLUTION STRUCTURE OF DEFENSIN-LIKE PEPTIDE-2 (DLP-2) FROM PLATYPUS VENOM | | Descriptor: | DEFENSIN-LIKE PEPTIDE-2 | | Authors: | Torres, A.M, De Plater, G.M, Doverskog, M, C Birinyi-Strachan, L, Nicholson, G.M, Gallagher, C.H, Kuchel, P.W. | | Deposit date: | 1999-10-12 | | Release date: | 2000-06-21 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Defensin-like peptide-2 from platypus venom: member of a class of peptides with a distinct structural fold.
Biochem.J., 348, 2000
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3BYU
 | | co-crystal structure of Lck and aminopyrimidine reverse amide 23 | | Descriptor: | 2-methyl-N-{4-methyl-3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)carbamoyl]phenyl}-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase LCK | | Authors: | Huang, X. | | Deposit date: | 2008-01-16 | | Release date: | 2008-09-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation.
J.Med.Chem., 51, 2008
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2CJI
 | | Crystal structure of a Human Factor Xa inhibitor complex | | Descriptor: | 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Watson, N.S, Campbell, M, Chan, C, Convery, M.A, Hamblin, J.N, Kelly, H.A, King, N.P, Mason, A.M, Mitchell, C, Patel, V.K, Senger, S, Shah, G.P, Weston, H.E, Whitworth, C, Young, R.J. | | Deposit date: | 2006-04-03 | | Release date: | 2006-05-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design and Synthesis of Orally Active Pyrrolidin-2-One-Based Factor Xa Inhibitors
Bioorg.Med.Chem.Lett., 16, 2006
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1BSP
 | | THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS | | Descriptor: | PHOSPHATE ION, THYMIDYLATE SYNTHASE A | | Authors: | Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M. | | Deposit date: | 1998-07-09 | | Release date: | 1999-02-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
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3JXS
 | | Crystal structure of XG34, an evolved xyloglucan binding CBM | | Descriptor: | ACETATE ION, CALCIUM ION, Xylanase | | Authors: | Divne, C, Tan, T.-C, Brumer, H, Gullfot, F. | | Deposit date: | 2009-09-21 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of XG-34, an evolved xyloglucan-specific carbohydrate-binding module.
Proteins, 78, 2009
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3MBT
 | | Structure of monomeric Blc from E. coli | | Descriptor: | Outer membrane lipoprotein blc | | Authors: | Schiefner, A, Skerra, A. | | Deposit date: | 2010-03-26 | | Release date: | 2010-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and biochemical analyses reveal a monomeric state of the bacterial lipocalin Blc.
Acta Crystallogr.,Sect.D, 66, 2010
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3KJM
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