3C1F
 
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3BQM
 | | LFA-1 I domain bound to inhibitors | | Descriptor: | 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline, Integrin alpha-L | | Authors: | Silvian, L.F. | | Deposit date: | 2007-12-20 | | Release date: | 2008-08-19 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design and synthesis of a series of meta aniline-based LFA-1 ICAM inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
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3C3B
 | | Crystal Structure of human phosphoglycerate kinase bound to D-CDP | | Descriptor: | CYTIDINE-5'-DIPHOSPHATE, PHOSPHATE ION, Phosphoglycerate kinase 1 | | Authors: | Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L. | | Deposit date: | 2008-01-28 | | Release date: | 2008-07-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase
Nucleic Acids Res., 36, 2008
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3BWE
 | | Crystal structure of aggregated form of DJ1 | | Descriptor: | PHOSPHATE ION, Protein DJ-1 | | Authors: | Cha, S.S. | | Deposit date: | 2008-01-09 | | Release date: | 2008-10-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of filamentous aggregates of human DJ-1 formed in an inorganic phosphate-dependent manner.
J.Biol.Chem., 283, 2008
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2X1C
 | | The crystal structure of precursor acyl coenzyme A:isopenicillin N acyltransferase from Penicillium chrysogenum | | Descriptor: | ACYL-COENZYME, CHLORIDE ION, GLYCEROL, ... | | Authors: | Bokhove, M, Yoshida, H, Hensgens, C.M.H, van der Laan, J.M, Sutherland, J.D, Dijkstra, B.W. | | Deposit date: | 2009-12-23 | | Release date: | 2010-03-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structures of an Isopenicillin N Converting Ntn-Hydrolase Reveal Different Catalytic Roles for the Active Site Residues of Precursor and Mature Enzyme.
Structure, 18, 2010
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2WPO
 | | HCMV protease inhibitor complex | | Descriptor: | (2S)-2-(3,3-dimethylbutanoylamino)-N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide, HUMAN CYTOMEGALOVIRUS PROTEASE | | Authors: | Tong, L, Qian, C, Massariol, M.-J, Deziel, R, Yoakim, C, Lagace, L. | | Deposit date: | 1998-08-04 | | Release date: | 1999-08-04 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Conserved mode of peptidomimetic inhibition and substrate recognition of human cytomegalovirus protease.
Nat.Struct.Biol., 5, 1998
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3KMC
 | | Crystal structure of catalytic domain of TACE with tartrate-based inhibitor | | Descriptor: | (2R,3R)-4-[4-(2-chlorophenyl)piperazin-1-yl]-2,3-dihydroxy-4-oxo-N-(2-thiophen-2-ylethyl)butanamide, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, TNF-alpha-converting enzyme, ... | | Authors: | Orth, P. | | Deposit date: | 2009-11-10 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
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2WHI
 | | Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor and L-methionine-S- sulfoximine phosphate. | | Descriptor: | 1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione, CHLORIDE ION, GLUTAMINE SYNTHETASE 1, ... | | Authors: | Nilsson, M.T, Krajewski, W.W, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2009-05-05 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for the Inhibition of Mycobacterium Tuberculosis Glutamine Synthetase by Novel ATP-Competitive Inhibitors.
J.Mol.Biol., 393, 2009
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3HL9
 | | Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded | | Descriptor: | Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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3HLB
 | | Simvastatin Synthase (LovD) from Aspergillus terreus, unliganded, selenomethionyl derivative | | Descriptor: | SULFATE ION, Transesterase | | Authors: | Sawaya, M.R, Yeates, T.O, Laidman, J, Pashkov, I, Gao, X, Tang, Y. | | Deposit date: | 2009-05-27 | | Release date: | 2009-10-27 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Directed evolution and structural characterization of a simvastatin synthase
Chem.Biol., 16, 2009
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3HM0
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2V4B
 | | Crystal Structure of Human ADAMTS-1 catalytic Domain and Cysteine- Rich Domain (apo-form) | | Descriptor: | ADAMTS-1, CADMIUM ION, MAGNESIUM ION, ... | | Authors: | Gerhardt, S, Hassall, G, Hawtin, P, McCall, E, Flavell, L, Minshull, C, Hargreaves, D, Ting, A, Pauptit, R.A, Parker, A.E, Abbott, W.M. | | Deposit date: | 2007-06-28 | | Release date: | 2008-01-15 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structures of Human Adamts-1 Reveal a Conserved Catalytic Domain and a Disintegrin-Like Domain with a Fold Homologous to Cysteine-Rich Domains.
J.Mol.Biol., 373, 2007
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3C4F
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2VJ9
 | | Human BACE-1 in complex with N-((1S,2R)-3-(cyclohexylamino)-2-hydroxy- 1-(phenylmethyl)propyl)-3-(ethylamino)-5-(2-oxo-1-pyrrolidinyl) benzamide | | Descriptor: | BETA-SECRETASE 1, N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-2-hydroxypropyl]-3-(ethylamino)-5-(2-oxopyrrolidin-1-yl)benzamide | | Authors: | Clarke, B, Demont, E, Dingwall, C, Dunsdon, R, Faller, A, Hawkins, J, Hussain, I, MacPherson, D, Maile, G, Matico, R, Milner, P, Mosley, J, Naylor, A, O'Brien, A, Redshaw, S, Riddell, D, Rowland, P, Soleil, V, Smith, K, Stanway, S, Stemp, G, Sweitzer, S, Theobald, P, Vesey, D, Walter, D.S, Ward, J, Wayne, G. | | Deposit date: | 2007-12-07 | | Release date: | 2008-01-29 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Bace-1 Inhibitors Part 2: Identification of Hydroxy Ethylamines (Heas) with Reduced Peptidic Character.
Bioorg.Med.Chem.Lett., 18, 2008
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3HPT
 | | Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine | | Descriptor: | 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Klei, H.E, Ghosh, K, Rushith, A, Kish, K. | | Deposit date: | 2009-06-04 | | Release date: | 2009-11-17 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
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3C1E
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3C1K
 | | Crystal structure of thrombin in complex with inhibitor 15 | | Descriptor: | 2-{3-[(benzylsulfonyl)amino]-6-methyl-2-oxopyridin-1(2H)-yl}-N-({1-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-1H-imidazol-5-yl}methyl)acetamide, Hirugen, Prothrombin | | Authors: | Yan, Y. | | Deposit date: | 2008-01-23 | | Release date: | 2008-03-18 | | Last modified: | 2013-03-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure-based design of novel groups for use in the P1 position of thrombin inhibitor scaffolds. Part 2: N-acetamidoimidazoles.
Bioorg.Med.Chem.Lett., 18, 2008
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3BUM
 | | Crystal structure of c-Cbl-TKB domain complexed with its binding motif in Sprouty2 | | Descriptor: | E3 ubiquitin-protein ligase CBL, Protein sprouty homolog 2 | | Authors: | Ng, C, Jackson, A.R, Buschdorf, P.J, Sun, Q, Guy, R.G, Sivaraman, J. | | Deposit date: | 2008-01-03 | | Release date: | 2008-02-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for a novel intrapeptidyl H-bond and reverse binding of c-Cbl-TKB domain substrates
Embo J., 27, 2008
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3BUW
 | | Crystal structure of c-Cbl-TKB domain complexed with its binding motif in Syk | | Descriptor: | 13-meric peptide from Tyrosine-protein kinase SYK, E3 ubiquitin-protein ligase CBL | | Authors: | Ng, C, Jackson, R.A, Buschdorf, J.P, Sun, Q, Guy, G.R, Sivaraman, J. | | Deposit date: | 2008-01-03 | | Release date: | 2008-02-26 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural basis for a novel intrapeptidyl H-bond and reverse binding of c-Cbl-TKB domain substrates
Embo J., 27, 2008
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3C3A
 | | Crystal Structure of human phosphoglycerate kinase bound to 3-phosphoglycerate and L-ADP | | Descriptor: | 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Arold, S.T, Gondeau, C, Lionne, C, Chaloin, L. | | Deposit date: | 2008-01-28 | | Release date: | 2008-07-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular basis for the lack of enantioselectivity of human 3-phosphoglycerate kinase
Nucleic Acids Res., 36, 2008
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3BVN
 | | High resolution crystal structure of HLA-B*1402 in complex with the latent membrane protein 2 peptide (LMP2) of Epstein-Barr virus | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B*1402 alpha chain, ... | | Authors: | Kumar, P, Vahedi-Faridi, A, Saenger, W, Uchanska-Ziegler, B, Ziegler, A. | | Deposit date: | 2008-01-07 | | Release date: | 2009-02-03 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural basis for T cell alloreactivity among three HLA-B14 and HLA-B27 antigens
J.Biol.Chem., 284, 2009
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3C5J
 | | Crystal structure of HLA DR52c | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Elongation factor 1-alpha 2, HLA class II histocompatibility antigen, ... | | Authors: | Dai, S, Kappler, J.W. | | Deposit date: | 2008-01-31 | | Release date: | 2008-08-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of HLA-DR52c: comparison to other HLA-DRB3 alleles.
Proc.Natl.Acad.Sci.USA, 105, 2008
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3BX7
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3C05
 | | Crystal structure of Acostatin from Agkistrodon Contortrix Contortrix | | Descriptor: | Disintegrin acostatin alpha, Disintegrin acostatin-beta, SULFATE ION | | Authors: | Moiseeva, N, Bau, R, Allaire, M. | | Deposit date: | 2008-01-18 | | Release date: | 2008-04-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of acostatin, a dimeric disintegrin from southern copperhead
(Agkistrodon contortrix contortrix) at 1.7 A resolution
Acta Crystallogr.,Sect.D, 64, 2008
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3C0Y
 | | Crystal structure of catalytic domain of human histone deacetylase HDAC7 | | Descriptor: | Histone deacetylase 7a, POTASSIUM ION, ZINC ION | | Authors: | Min, J.R, Schuetz, A, Allali-Hassani, A, Loppnau, P, Kwiatkowski, N.P, Mazitschek, R, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-01-21 | | Release date: | 2008-02-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Human HDAC7 harbors a class IIa histone deacetylase-specific zinc binding motif and cryptic deacetylase activity.
J.Biol.Chem., 283, 2008
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