1H0C
| The crystal structure of human alanine:glyoxylate aminotransferase | Descriptor: | (AMINOOXY)ACETIC ACID, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Zhang, X, Danpure, C.J, Roe, S.M, Pearl, L.H. | Deposit date: | 2002-06-17 | Release date: | 2003-06-12 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Alanine:Glyoxylate Aminotransferase and the Relationship between Genotype and Enzymatic Phenotype in Primary Hyperoxaluria Type 1. J.Mol.Biol., 331, 2003
|
|
3OVL
| |
1TBR
| |
6OU9
| Asymmetric focused reconstruction of human norovirus GI.7 Houston strain VLP asymmetric unit in T=3 symmetry | Descriptor: | Major capsid protein | Authors: | Jung, J, Grant, T, Thomas, D.R, Diehnelt, C.W, Grigorieff, N, Joshua-Tor, L. | Deposit date: | 2019-05-04 | Release date: | 2019-06-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | High-resolution cryo-EM structures of outbreak strain human norovirus shells reveal size variations. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6OUT
| Asymmetric focused reconstruction of human norovirus GI.1 Norwalk strain VLP asymmetric unit in T=3 symmetry | Descriptor: | Capsid protein VP1 | Authors: | Jung, J, Grant, T, Thomas, D.R, Diehnelt, C.W, Grigorieff, N, Joshua-Tor, L. | Deposit date: | 2019-05-05 | Release date: | 2019-06-26 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | High-resolution cryo-EM structures of outbreak strain human norovirus shells reveal size variations. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
4EE2
| |
4EOO
| Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | Authors: | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | Deposit date: | 2012-04-14 | Release date: | 2013-02-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
|
|
3OX8
| Crystal Structure of HLA A*02:03 Bound to HBV Core 18-27 | Descriptor: | 10mer peptide from Pre-core-protein, Beta-2-microglobulin, MHC class I antigen | Authors: | Liu, J, Chen, Y, Lai, L, Ren, E. | Deposit date: | 2010-09-21 | Release date: | 2011-05-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Structural insights into the binding of hepatitis B virus core peptide to HLA-A2 alleles: Towards designing better vaccines. Eur.J.Immunol., 41, 2011
|
|
6OVO
| Crystal structure of the unliganded PG10 TCR | Descriptor: | 1,2-ETHANEDIOL, Alpha Chain T-Cell Receptor PG10, Beta Chain T-Cell Receptor PG10, ... | Authors: | Shahine, A, Rossjohn, J. | Deposit date: | 2019-05-08 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | A TCR beta-Chain Motif Biases toward Recognition of Human CD1 Proteins. J Immunol., 203, 2019
|
|
4EWO
| Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors | Descriptor: | Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-2-(2,2-dimethylpropyl)-6,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide | Authors: | Borkakoti, N, Lindberg, J, Derbyshire, D. | Deposit date: | 2012-04-27 | Release date: | 2012-10-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4DRP
| Evaluation of Synthetic FK506 Analogs as Ligands for the FK506-Binding Proteins 51 and 52: Complex of FKBP51 with 2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(2-((1R,2S)-2-ethyl-1-hydroxy-cyclohexyl)-2-oxoacetyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetic acid from cocrystallization | Descriptor: | Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-3-(3,4-dimethoxyphenyl)-1-({[(2S)-1-{[(1R,2S)-2-ethyl-1-hydroxycyclohexyl](oxo)acetyl}piperidin-2-yl]carbonyl}oxy)propyl]phenoxy}acetic acid | Authors: | Gopalakrishnan, R, Kozany, C, Gaali, S, Kress, C, Hoogeland, B, Bracher, A, Hausch, F. | Deposit date: | 2012-02-17 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evaluation of Synthetic FK506 Analogues as Ligands for the FK506-Binding Proteins 51 and 52. J.Med.Chem., 55, 2012
|
|
1GO7
| The metzincin's methionine: PrtC M226C-E189K double mutant | Descriptor: | CALCIUM ION, PHOSPHATE ION, PROTEASE C, ... | Authors: | Hege, T. | Deposit date: | 2001-10-20 | Release date: | 2002-10-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of a Complex between Pseudomonas Aeruginosa Alkaline Protease and its Cognate Inhibitor: Inhibition by a Zinc-NH2 Coordinative Bond J.Biol.Chem., 276, 2001
|
|
1UWB
| TYR 181 CYS HIV-1 RT/8-CL TIBO | Descriptor: | 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, REVERSE TRANSCRIPTASE | Authors: | Das, K, Ding, J, Hsiou, Y, Arnold, E. | Deposit date: | 1996-11-21 | Release date: | 1997-05-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant. J.Mol.Biol., 264, 1996
|
|
2H6M
| An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | Descriptor: | N-ACETYL-LEUCYL-ALANYL-ALANYL-(N,N-DIMETHYL)-GLUTAMINE-(1,4-DIOXO-3,4-DIHYDRO-1H-PHTHALAZIN-2-YL)METHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE, Picornain 3C | Authors: | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | Deposit date: | 2006-05-31 | Release date: | 2006-08-08 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors. J.Mol.Biol., 361, 2006
|
|
6PUP
| |
8AR3
| Solution structure of TLR9 transmembrane and cytoplasmic juxtamembrane regions | Descriptor: | Toll-like receptor 9 | Authors: | Kornilov, F.D, Shabalkina, A.V, Goncharuk, M.V, Goncharuk, S.A, Arseniev, A.S, Mineev, K.S. | Deposit date: | 2022-08-15 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors. Nat Commun, 14, 2023
|
|
8AR0
| Solution structure of TLR2 transmembrane and cytoplasmic juxtamembrane regions | Descriptor: | Toll-like receptor 2 | Authors: | Kornilov, F.D, Shabalkina, A.V, Goncharuk, M.V, Goncharuk, S.A, Arseniev, A.S, Mineev, K.S. | Deposit date: | 2022-08-15 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | The architecture of transmembrane and cytoplasmic juxtamembrane regions of Toll-like receptors. Nat Commun, 14, 2023
|
|
8AHW
| Structure of DCS-resistant variant D322N of alanine racemase from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, Alanine racemase, GLYCEROL | Authors: | de Chiara, C, Prosser, G, Ogrodowicz, R.W, de Carvalho, L.P.S. | Deposit date: | 2022-07-22 | Release date: | 2023-04-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structure of the d-Cycloserine-Resistant Variant D322N of Alanine Racemase from Mycobacterium tuberculosis . Acs Bio Med Chem Au, 3, 2023
|
|
1GVL
| Human prokallikrein 6 (hK6)/ prozyme/ proprotease M/ proneurosin | Descriptor: | KALLIKREIN 6 | Authors: | Gomis-Ruth, F.X, Bayes, A, Sotiropoulou, G, Pampalakis, G, Tsetsenis, T, Villegas, V, Aviles, F.X, Coll, M. | Deposit date: | 2002-02-14 | Release date: | 2002-05-16 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Structure of Human Prokallikrein 6 Reveals a Novel Activation Mechanism for the Kallikrein Family. J.Biol.Chem., 277, 2002
|
|
3MSF
| Crystal structure of Thermolysin in complex with Urea | Descriptor: | CALCIUM ION, GLYCEROL, Thermolysin, ... | Authors: | Behnen, J, Heine, A, Klebe, G. | Deposit date: | 2010-04-29 | Release date: | 2011-05-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Experimental and computational active site mapping as a starting point to fragment-based lead discovery. Chemmedchem, 7, 2012
|
|
3M6F
| CD11A I-domain complexed with 6-((5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL)-1-METHYL-2,4-DIOXO-1,3,7- TRIAZASPIRO[4.4]NON-7-YL)NICOTINIC ACID | Descriptor: | 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid, Integrin alpha-L, NITRATE ION | Authors: | Sheriff, S. | Deposit date: | 2010-03-15 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521). J.Med.Chem., 53, 2010
|
|
2HAL
| An episulfide cation (thiiranium ring) trapped in the active site of HAV 3C proteinase inactivated by peptide-based ketone inhibitors | Descriptor: | Hepatitis A Protease 3C, N-ACETYL-LEUCYL-PHENYLALANYL-PHENYLALANYL-GLUTAMATE-FLUOROMETHYLKETONE INHIBITOR, N-[(BENZYLOXY)CARBONYL]-L-ALANINE | Authors: | Yin, J, Cherney, M.M, Bergmann, E.M, James, M.N. | Deposit date: | 2006-06-13 | Release date: | 2006-08-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | An Episulfide Cation (Thiiranium Ring) Trapped in the Active Site of HAV 3C Proteinase Inactivated by Peptide-based Ketone Inhibitors. J.Mol.Biol., 361, 2006
|
|
6OFV
| F95Q Epi-isozizaene synthase | Descriptor: | Epi-isozizaene synthase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Blank, P.N, Christianson, D.W. | Deposit date: | 2019-04-01 | Release date: | 2019-06-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Crystal structure of F95Q epi-isozizaene synthase, an engineered sesquiterpene cyclase that generates biofuel precursors beta- and gamma-curcumene. J.Struct.Biol., 207, 2019
|
|
7ZAK
| Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes. Immunity, 56, 2023
|
|
6OQE
| |