1H22
 
 | | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with (S,S)-(-)-bis(10)-hupyridone at 2.15A resolution | | Descriptor: | (S,S)-(-)-N,N'-DI-5'-[5',6',7',8'-TETRAHYDRO- 2'(1'H)-QUINOLYNYL]-1,10-DIAMINODECANE DIHYDROCHLORIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE | | Authors: | Wong, D.M, Greenblatt, H.M, Carlier, P.R, Han, Y.-F, Pang, Y.-P, Silman, I, Sussman, J.L. | | Deposit date: | 2002-07-30 | | Release date: | 2002-12-23 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Acetylcholinesterase Complexed with Bivalent Ligands Related to Huperzine A: Experimental Evidence for Species-Dependent Protein-Ligand Complementarity
J.Am.Chem.Soc., 125, 2003
|
|
1H6M
 | | Covalent glycosyl-enzyme intermediate of hen egg white lysozyme | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose, LYSOZYME C, SODIUM ION | | Authors: | Vocadlo, D.J, Davies, G.J, Laine, R, Withers, S.G. | | Deposit date: | 2001-06-19 | | Release date: | 2001-08-30 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Catalysis by Hen Egg-White Lysozyme Proceeds Via a Covalent Intermediate
Nature, 412, 2001
|
|
1HPZ
 | | HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 | | Descriptor: | ALPHA-(2,6-DICHLOROPHENYL)-ALPHA-(2-ACETYL-5-METHYLANILINO)ACETAMIDE, POL POLYPROTEIN | | Authors: | Ding, J, Hsiou, Y, Arnold, E. | | Deposit date: | 2000-12-13 | | Release date: | 2001-05-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Lys103Asn mutation of HIV-1 RT: a novel mechanism of drug resistance.
J.Mol.Biol., 309, 2001
|
|
1HQE
 | | HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 | | Descriptor: | POL POLYPROTEIN | | Authors: | Ding, J, Hsiou, Y, Arnold, E. | | Deposit date: | 2000-12-15 | | Release date: | 2001-05-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Lys103Asn mutation of HIV-1 RT: a novel mechanism of drug resistance.
J.Mol.Biol., 309, 2001
|
|
1HU9
 | | LIPOXYGENASE-3 (SOYBEAN) COMPLEX WITH 4-HYDROPEROXY-2-METHOXY-PHENOL | | Descriptor: | 4-HYDROPEROXY-2-METHOXY-PHENOL, FE (III) ION, LIPOXYGENASE-3 | | Authors: | Zhou, K, Skrzypczak-Jankun, E, McCabe, N.P, Selman, S.H, Jankun, J. | | Deposit date: | 2001-01-04 | | Release date: | 2003-06-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of curcumin in complex with lipoxygenase and its significance in
cancer.
INT.J.MOL.MED., 12, 2003
|
|
1HQU
 | | HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 | | Descriptor: | (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, POL POLYPROTEIN | | Authors: | Hsiou, Y, Ding, J, Arnold, E. | | Deposit date: | 2000-12-19 | | Release date: | 2001-05-30 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Lys103Asn mutation of HIV-1 RT: a novel mechanism of drug resistance.
J.Mol.Biol., 309, 2001
|
|
1HQK
 | | CRYSTAL STRUCTURE ANALYSIS OF LUMAZINE SYNTHASE FROM AQUIFEX AEOLICUS | | Descriptor: | 6,7-DIMETHYL-8-RIBITYLLUMAZINE SYNTHASE | | Authors: | Zhang, X, Meining, W, Fischer, M, Bacher, A, Ladenstein, R. | | Deposit date: | 2000-12-18 | | Release date: | 2001-12-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray structure analysis and crystallographic refinement of lumazine synthase from the hyperthermophile Aquifex aeolicus at 1.6 A resolution: determinants of thermostability revealed from structural comparisons.
J.Mol.Biol., 306, 2001
|
|
1J2Q
 | | 20S proteasome in complex with calpain-Inhibitor I from archaeoglobus fulgidus | | Descriptor: | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-BUTYL]-AMIDE, Proteasome alpha subunit, Proteasome beta subunit | | Authors: | Groll, M, Brandstetter, H, Bartunik, H, Bourenkow, G, Huber, R. | | Deposit date: | 2003-01-08 | | Release date: | 2003-03-18 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.83 Å) | | Cite: | Investigations on the Maturation and Regulation of Archaebacterial Proteasomes
J.MOL.BIOL., 327, 2003
|
|
1IZI
 | | Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants | | Descriptor: | CHLORIDE ION, proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | | Authors: | Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J. | | Deposit date: | 2002-10-02 | | Release date: | 2002-12-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002
|
|
1JCS
 | | CRYSTAL STRUCTURE OF RAT PROTEIN FARNESYLTRANSFERASE COMPLEXED WITH THE PEPTIDE SUBSTRATE TKCVFM AND AN ANALOG OF FARNESYL DIPHOSPHATE | | Descriptor: | ACETIC ACID, PROTEIN FARNESYLTRANSFERASE, ALPHA SUBUNIT, ... | | Authors: | Long, S.B, Casey, P.J, Beese, L.S. | | Deposit date: | 2001-06-11 | | Release date: | 2001-11-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The crystal structure of human protein farnesyltransferase reveals the basis for inhibition by CaaX tetrapeptides and their mimetics.
Proc.Natl.Acad.Sci.USA, 98, 2001
|
|
1L4Z
 | | X-RAY CRYSTAL STRUCTURE OF THE COMPLEX OF MICROPLASMINOGEN WITH ALPHA DOMAIN OF STREPTOKINASE IN THE PRESENCE CADMIUM IONS | | Descriptor: | CADMIUM ION, Plasminogen, Streptokinase | | Authors: | Wakeham, N, Terzyan, S, Zhai, P, Loy, J.A, Tang, J, Zhang, X.C. | | Deposit date: | 2002-03-06 | | Release date: | 2002-12-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Effects of deletion of streptokinase residues 48-59 on plasminogen activation.
PROTEIN ENG., 15, 2002
|
|
1JCR
 | | CRYSTAL STRUCTURE OF RAT PROTEIN FARNESYLTRANSFERASE COMPLEXED WITH THE NON-SUBSTRATE TETRAPEPTIDE INHIBITOR CVFM AND FARNESYL DIPHOSPHATE SUBSTRATE | | Descriptor: | ACETIC ACID, FARNESYL DIPHOSPHATE, PROTEIN FARNESYLTRANSFERASE, ... | | Authors: | Long, S.B, Casey, P.J, Beese, L.S. | | Deposit date: | 2001-06-11 | | Release date: | 2001-11-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The crystal structure of human protein farnesyltransferase reveals the basis for inhibition by CaaX tetrapeptides and their mimetics.
Proc.Natl.Acad.Sci.USA, 98, 2001
|
|
1JCQ
 | | CRYSTAL STRUCTURE OF HUMAN PROTEIN FARNESYLTRANSFERASE COMPLEXED WITH FARNESYL DIPHOSPHATE AND THE PEPTIDOMIMETIC INHIBITOR L-739,750 | | Descriptor: | 2(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO-3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONE, ACETIC ACID, FARNESYL DIPHOSPHATE, ... | | Authors: | Long, S.B, Casey, P.J, Beese, L.S. | | Deposit date: | 2001-06-11 | | Release date: | 2001-11-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The crystal structure of human protein farnesyltransferase reveals the basis for inhibition by CaaX tetrapeptides and their mimetics.
Proc.Natl.Acad.Sci.USA, 98, 2001
|
|
1L4D
 | | CRYSTAL STRUCTURE OF MICROPLASMINOGEN-STREPTOKINASE ALPHA DOMAIN COMPLEX | | Descriptor: | PLASMINOGEN, STREPTOKINASE, SULFATE ION | | Authors: | Wakeham, N, Terzyan, S, Zhai, P, Loy, J.A, Tang, J, Zhang, X.C. | | Deposit date: | 2002-03-04 | | Release date: | 2002-12-11 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Effects of deletion of streptokinase residues 48-59 on plasminogen activation
PROTEIN ENG., 15, 2002
|
|
1IZH
 | | Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants | | Descriptor: | proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | | Authors: | Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J. | | Deposit date: | 2002-10-02 | | Release date: | 2002-12-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002
|
|
1HKN
 | | A complex between acidic fibroblast growth factor and 5-amino-2-naphthalenesulfonate | | Descriptor: | 5-AMINO-NAPHTALENE-2-MONOSULFONATE, HEPARIN-BINDING GROWTH FACTOR 1 | | Authors: | Fernandez-Tornero, C, Lozano, R.M, Gimenez-Gallego, G, Romero, A. | | Deposit date: | 2003-03-10 | | Release date: | 2004-03-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Leads for Development of New Naphthalenesulfonate Derivatives with Enhanced Antiangiogenic Activity: Crystal Structure of Acidic Fibroblast Growth Factor in Complex with 5-Amino-2-Naphthalenesulfonate
J.Biol.Chem., 278, 2003
|
|
1HPX
 | | HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR KNI-272 | | Descriptor: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, HIV-1 PROTEASE | | Authors: | Bhat, T.N, Erickson, J.W. | | Deposit date: | 1995-05-18 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine.
Structure, 3, 1995
|
|
1JNQ
 | | LIPOXYGENASE-3 (SOYBEAN) COMPLEX WITH EPIGALLOCATHECHIN (EGC) | | Descriptor: | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL, FE (II) ION, lipoxygenase-3 | | Authors: | Zhou, K, Skrzypczak-Jankun, E, Jankun, J. | | Deposit date: | 2001-07-24 | | Release date: | 2003-06-03 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibition of lipoxygenase by (-)-epigallocatechin gallate: X-ray analysis at 2.1 A reveals degradation of EGCG
and shows soybean LOX-3 complex with EGC instead.
INT.J.MOL.MED., 12, 2003
|
|
1M8M
 | | SOLID-STATE MAS NMR STRUCTURE OF THE A-SPECTRIN SH3 DOMAIN | | Descriptor: | SPECTRIN ALPHA CHAIN, BRAIN | | Authors: | Castellani, F, Van Rossum, B, Diehl, A, Schubert, M, Rehbein, K, Oschkinat, H. | | Deposit date: | 2002-07-25 | | Release date: | 2002-11-20 | | Last modified: | 2024-05-22 | | Method: | SOLID-STATE NMR | | Cite: | Structure of a protein determined by solid-state magic-angle-spinning NMR spectroscopy
Nature, 420, 2002
|
|
6YEF
 | | 70S initiation complex with assigned rRNA modifications from Staphylococcus aureus | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S11, ... | | Authors: | Fatkhullin, B, Golubev, A, Khusainov, I, Yusupova, G, Yusupov, M. | | Deposit date: | 2020-03-24 | | Release date: | 2021-01-27 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of the ribosome functional complex of the human pathogen Staphylococcus aureus at 3.2 angstrom resolution.
Febs Lett., 594, 2020
|
|
6YLI
 | |
6YLD
 | | Crystal structure of Trichoplax adhaerens trBcl-2L2 bound to trBak BH3 | | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 1, ... | | Authors: | D Sa, J, Banjara, S, Kvansakul, M. | | Deposit date: | 2020-04-07 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Ancient and conserved functional interplay between Bcl-2 family proteins in the mitochondrial pathway of apoptosis.
Sci Adv, 6, 2020
|
|
6YZ0
 | | Full length Open-form Sodium Channel NavMs F208L in complex with Cannabidiol (CBD) | | Descriptor: | 2-[(1R,2R,5S)-5-methyl-2-(prop-1-en-2-yl)cyclohexyl]-5-pentylbenzene-1,3-diol, DODECAETHYLENE GLYCOL, HEGA-10, ... | | Authors: | Sula, A, Sait, L.G, Hollingworth, D, Wallace, B.A. | | Deposit date: | 2020-05-06 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cannabidiol interactions with voltage-gated sodium channels.
Elife, 9, 2020
|
|
6Z4B
 | | Crystal Structure of EGFR-T790M/V948R in Complex with Osimertinib and EAI045 | | Descriptor: | (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide, Epidermal growth factor receptor, SULFATE ION, ... | | Authors: | Niggenaber, J, Mueller, M.P, Rauh, D. | | Deposit date: | 2020-05-25 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Complex Crystal Structures of EGFR with Third-Generation Kinase Inhibitors and Simultaneously Bound Allosteric Ligands.
Acs Med.Chem.Lett., 11, 2020
|
|
6YUL
 | | CK2 alpha bound to Macrocycle | | Descriptor: | 7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid, Casein kinase II subunit alpha, SULFATE ION | | Authors: | Kraemer, A, Hanke, T, Kurz, C, Celik, I, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-27 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Optimization of pyrazolo[1,5-a]pyrimidines lead to the identification of a highly selective casein kinase 2 inhibitor.
Eur.J.Med.Chem., 208, 2020
|
|
