4CD4
| The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManIFG | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-1,4-BETA MANNANASE, PUTATIVE, ... | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | Deposit date: | 2013-10-30 | Release date: | 2014-04-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate. Angew.Chem.Int.Ed.Engl., 53, 2014
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4C36
| PKA-S6K1 Chimera with compound 15e (CCT147581) bound | Descriptor: | 4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, ... | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | Deposit date: | 2013-08-21 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
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4C37
| PKA-S6K1 Chimera with compound 21a (CCT196539) bound | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(6-bromo-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA, ... | Authors: | Couty, S, Westwood, I.M, Kalusa, A, Cano, C, Travers, J, Boxall, K, Chow, C.L, Burns, S, Schmitt, J, Pickard, L, Barillari, C, McAndrew, P.C, Clarke, P.A, Linardopoulos, S, Griffin, R.J, Aherne, G.W, Raynaud, F.I, Workman, P, Jones, K, van Montfort, R.L.M. | Deposit date: | 2013-08-21 | Release date: | 2013-10-09 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The discovery of potent ribosomal S6 kinase inhibitors by high-throughput screening and structure-guided drug design. Oncotarget, 4, 2013
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4CYQ
| Leishmania major N-myristoyltransferase in complex with a hybrid inhibitor (compound 45). | Descriptor: | GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, MAGNESIUM ION, N-{2-chloro-5-[(3S,4R)-1-[(3R)-4-(4-chlorophenyl)-3-hydroxybutanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]phenyl}-2-(4-fluorophenyl)acetamide, ... | Authors: | Hutton, J.A, Goncalves, V, Brannigan, J.A, Paape, D, Waugh, T, Roberts, S.M, Bell, A.S, Wilkinson, A.J, Smith, D.F, Leatherbarrow, R.J, Tate, E.W. | Deposit date: | 2014-04-14 | Release date: | 2014-10-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure-Based Design of Potent and Selective Leishmania N- Myristoyltransferase Inhibitors. J.Med.Chem., 57, 2014
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4DE8
| LytR-Cps2a-Psr family protein with bound octaprenyl monophosphate lipid | Descriptor: | (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphate, Cps2A, DI(HYDROXYETHYL)ETHER | Authors: | Eberhardt, A, Hoyland, C.N, Vollmer, D.V, Bisle, S, Cleverley, R.M, Johnsborg, O, Havarstein, L.S, Lewis, R.J, Vollmer, W. | Deposit date: | 2012-01-20 | Release date: | 2012-04-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Attachment of Capsular Polysaccharide to the Cell Wall in Streptococcus pneumoniae. Microb Drug Resist, 18, 2012
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6I7K
| Crystal structure of monomeric FICD mutant L258D complexed with MgATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, ETHANOL, ... | Authors: | Perera, L.A, Yan, Y, Read, R.J, Ron, D. | Deposit date: | 2018-11-16 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP. Embo J., 38, 2019
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1SO0
| Crystal structure of human galactose mutarotase complexed with galactose | Descriptor: | aldose 1-epimerase, beta-D-galactopyranose | Authors: | Thoden, J.B, Timson, D.J, Reece, R.J, Holden, H.M. | Deposit date: | 2004-03-12 | Release date: | 2004-03-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Molecular structure of human galactose mutarotase J.Biol.Chem., 279, 2004
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1SPY
| REGULATORY DOMAIN OF HUMAN CARDIAC TROPONIN C IN THE CALCIUM-FREE STATE, NMR, 40 STRUCTURES | Descriptor: | TROPONIN C | Authors: | Spyracopoulos, L, Li, M.X, Sia, S.K, Gagne, S.M, Chandra, M, Solaro, R.J, Sykes, B.D. | Deposit date: | 1997-07-14 | Release date: | 1998-09-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Calcium-induced structural transition in the regulatory domain of human cardiac troponin C. Biochemistry, 36, 1997
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6I3I
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6IBR
| Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclophellitol epoxide LWA481 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rowland, R.J, Wu, L, Davies, G.J. | Deposit date: | 2018-11-30 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease Chem Sci, 2019
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1T7B
| Crystal structure of mutant Lys8Gln of scorpion alpha-like neurotoxin BmK M1 from Buthus martensii Karsch | Descriptor: | Alpha-like neurotoxin BmK-I | Authors: | Xiang, Y, Guan, R.J, He, X.L, Wang, C.G, Wang, M, Zhang, Y, Sundberg, E.J, Wang, D.C. | Deposit date: | 2004-05-09 | Release date: | 2004-09-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Mechanism Governing Cis and Trans Isomeric States and an Intramolecular Switch for Cis/Trans Isomerization of a Non-proline Peptide Bond Observed in Crystal Structures of Scorpion Toxins J.Mol.Biol., 341, 2004
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6RNC
| Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 - 100ms diffusion time. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-05-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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1TI8
| H7 Haemagglutinin | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose, ... | Authors: | Russell, R.J, Gamblin, S.J, Haire, L.F, Stevens, D.J, Xaio, B, Ha, Y, Skehel, J.J. | Deposit date: | 2004-06-02 | Release date: | 2005-06-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | H1 and H7 influenza haemagglutinin structures extend a structural classification of haemagglutinin subtypes. Virology, 325, 2004
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6RNB
| Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Lysozyme with GlcNAc3 50ms diffusion time | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-05-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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6RNF
| Liquid Application Method for time-resolved Analyses (LAMA) by serial synchrotron crystallography, Xylose Isomerase 30 ms timepoint | Descriptor: | MAGNESIUM ION, Xylose isomerase, alpha-D-glucopyranose | Authors: | Mehrabi, P, Schulz, E.C, Miller, R.J.D. | Deposit date: | 2019-05-08 | Release date: | 2019-10-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Liquid application method for time-resolved analyses by serial synchrotron crystallography. Nat.Methods, 16, 2019
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1T46
| STRUCTURAL BASIS FOR THE AUTOINHIBITION AND STI-571 INHIBITION OF C-KIT TYROSINE KINASE | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, Homo sapiens v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog, PHOSPHATE ION | Authors: | Mol, C.D, Dougan, D.R, Schneider, T.R, Skene, R.J, Kraus, M.L, Scheibe, D.N, Snell, G.P, Zou, H, Sang, B.C, Wilson, K.P. | Deposit date: | 2004-04-28 | Release date: | 2004-06-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis for the autoinhibition and STI-571 inhibition of c-Kit tyrosine kinase. J.Biol.Chem., 279, 2004
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1TK8
| T7 DNA polymerase ternary complex with 8 oxo guanosine and dAMP at the elongation site | Descriptor: | 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(*CP*CP*CP*AP*(8OG)P*TP*GP*GP*CP*AP*CP*TP*GP*GP*CP*CP*GP*TP*CP*GP*TP*TP*TP*TP*CP*G)-3', ... | Authors: | Brieba, L.G, Eichman, B.F, Kokoska, R.J, Doublie, S, Kunkel, T.A, Ellenberger, T. | Deposit date: | 2004-06-08 | Release date: | 2004-08-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the dual coding potential of 8-oxoguanosine by a high-fidelity DNA polymerase. Embo J., 23, 2004
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6I7I
| Crystal structure of dimeric FICD mutant K256A complexed with MgATP | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ADENOSINE-5'-TRIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, ... | Authors: | Perera, L.A, Yan, Y, Read, R.J, Ron, D. | Deposit date: | 2018-11-16 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP. Embo J., 38, 2019
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1T67
| Crystal Structure of Human HDAC8 complexed with MS-344 | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, SODIUM ION, ... | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | Deposit date: | 2004-05-05 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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6IBM
| Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfate ME776 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Rowland, R.J, Wu, L, Davies, G.J. | Deposit date: | 2018-11-30 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease Chem Sci, 2019
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1T79
| Crystal structure of the androgen receptor ligand binding domain in complex with a FxxLW motif | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, FxxLW motif peptide | Authors: | Hur, E, Pfaff, S.J, Payne, E.S, Gron, H, Buehrer, B.M, Fletterick, R.J. | Deposit date: | 2004-05-08 | Release date: | 2004-08-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Recognition and accommodation at the androgen receptor coactivator binding interface. Plos Biol., 2, 2004
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6I23
| Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A. | Deposit date: | 2018-10-31 | Release date: | 2019-05-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation. Biochemistry, 58, 2019
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1TK5
| T7 DNA polymerase binary complex with 8 oxo guanosine in the templating strand | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(*CP*CP*CP*(8OG)P*CP*TP*GP*GP*CP*AP*CP*TP*GP*GP*CP*CP*GP*TP*CP*GP*TP*TP*TP*TP*CP*G)-3', 5'-D(*CP*GP*AP*AP*A*GP*CP*CP*AP*GP*TP*GP*CP*CP*AP*(DDG)P*TP*GP*CP*AP*A)-3', ... | Authors: | Brieba, L.G, Eichman, B.F, Kokoska, R.J, Doublie, S, Kunkel, T.A, Ellenberger, T. | Deposit date: | 2004-06-08 | Release date: | 2004-08-31 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the dual coding potential of 8-oxoguanosine by a high-fidelity DNA polymerase. Embo J., 23, 2004
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6IBT
| Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclophellitol aziridine ME737 | Descriptor: | (1~{S},2~{S},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rowland, R.J, Wu, L, Davies, G.J. | Deposit date: | 2018-11-30 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease Chem Sci, 2019
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6IAR
| Tricyclic indazoles a novel class of selective estrogen receptor degrader antagonists | Descriptor: | 3-[4-[(6~{R})-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]propanoic acid, Estrogen receptor | Authors: | Scott, J.S, Bailey, A, Buttar, D, Carbajo, R.J, Curwen, J, Davies, R.D.M, Degorce, S.L, Donald, C, Gangl, E, Greenwood, R, Groombridge, S.D, Johnson, T, Lamont, S, Lawson, M, Lister, A, Morrow, C, Moss, T, Pink, J.H, Polanski, R. | Deposit date: | 2018-11-27 | Release date: | 2019-01-23 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Tricyclic Indazoles-A Novel Class of Selective Estrogen Receptor Degrader Antagonists. J.Med.Chem., 62, 2019
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