4UFM
| Mouse Galactocerebrosidase complexed with 1-deoxy-galacto-nojirimycin DGJ | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-04-01 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
|
|
4UIH
| Cryo-EM structure of Dengue virus serotype 2 strain New Guinea-C complexed with human antibody 2D22 Fab at 37 degree C. The Fab molecules were added to the virus before 37 degree C incubation. | Descriptor: | ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 -HEAVY CHAIN, ANTIGEN-BINDING FRAGMENT OF HUMAN ANTIBODY 2D22 -LIGHT CHAIN, DENGUE VIRUS SEROTYPE 2 STRAIN NEW GUINEA-C E PROTEIN ECTODOMAIN | Authors: | Fibriansah, G, Ibarra, K.D, Ng, T.-S, Smith, S.A, Tan, J.L, Lim, X.N, Ooi, J.S.G, Kostyuchenko, V.A, Wang, J, de Silva, A.M, Harris, E, Crowe, J.E, Lok, S.-M. | Deposit date: | 2015-03-30 | Release date: | 2015-07-15 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (20 Å) | Cite: | Cryo-EM structure of an antibody that neutralizes dengue virus type 2 by locking E protein dimers. Science, 349, 2015
|
|
4UEX
| |
4UXJ
| Leishmania major Thymidine Kinase in complex with dTTP | Descriptor: | MAGNESIUM ION, THYMIDINE KINASE, THYMIDINE-5'-TRIPHOSPHATE, ... | Authors: | Timm, J, Bosch-Navarrete, C, Recio, E, Nettleship, J.E, Rada, H, Gonzalez-Pacanowska, D, Wilson, K.S. | Deposit date: | 2014-08-22 | Release date: | 2015-05-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and Kinetic Characterization of Thymidine Kinase from Leishmania Major. Plos Negl Trop Dis, 9, 2015
|
|
4UFK
| Mouse Galactocerebrosidase complexed with dideoxy-imino-lyxitol DIL | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
|
|
4UFH
| Mouse Galactocerebrosidase complexed with iso-galacto-fagomine IGF | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
|
|
4UUK
| Human dynamin 1 K44A superconstricted polymer stabilized with GTP strand 2 | Descriptor: | DYNAMIN-1 | Authors: | Sundborger, A.C, Fang, S, Heymann, J.A, Ray, P, Chappie, J.S, Hinshaw, J.E. | Deposit date: | 2014-07-29 | Release date: | 2014-08-27 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (12.5 Å) | Cite: | A Dynamin Mutant Defines a Superconstricted Prefission State. Cell Rep., 8, 2014
|
|
4AT1
| STRUCTURAL CONSEQUENCES OF EFFECTOR BINDING TO THE T STATE OF ASPARTATE CARBAMOYLTRANSFERASE. CRYSTAL STRUCTURES OF THE UNLIGATED AND ATP-, AND CTP-COMPLEXED ENZYMES AT 2.6-ANGSTROMS RESOLUTION | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, ASPARTATE CARBAMOYLTRANSFERASE (T STATE), CATALYTIC CHAIN, ... | Authors: | Stevens, R.C, Gouaux, J.E, Lipscomb, W.N. | Deposit date: | 1990-04-26 | Release date: | 1990-10-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural consequences of effector binding to the T state of aspartate carbamoyltransferase: crystal structures of the unligated and ATP- and CTP-complexed enzymes at 2.6-A resolution. Biochemistry, 29, 1990
|
|
6MJ5
| Crystal structure of Tdp1 catalytic domain in complex with compound XZ519 | Descriptor: | 1,2-ETHANEDIOL, 4-hydroxy-8-nitroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-09-20 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.853 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
|
|
6N0O
| Crystal structure of Tdp1 catalytic domain in complex with compound XZ523 | Descriptor: | 1,2-ETHANEDIOL, 4-nitrobenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-11-07 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.943 Å) | Cite: | Crystal structure of Tdp1 catalytic domain To Be Published
|
|
6MWW
| LasR LBD:BB0126 complex | Descriptor: | 4-[3-(methylsulfonyl)phenoxy]-N-[(1R,3R,5R)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide, Transcriptional regulator LasR | Authors: | Bassler, B.L, Paczkowski, J.E. | Deposit date: | 2018-10-30 | Release date: | 2019-04-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor. Acs Chem.Biol., 14, 2019
|
|
6N19
| Crystal structure of Tdp1 catalytic domain in complex with compound XZ578 | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-carboxybutanoyl)amino]benzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-11-08 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
|
|
6MYZ
| Crystal structure of Tdp1 catalytic domain in complex with compound XZ520 | Descriptor: | 1,2-ETHANEDIOL, 4-oxo-8-phenyl-1,4-dihydroquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-11-02 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.661 Å) | Cite: | Structure of Tdp1 catalytic domain in complex with compound XZ520 To Be Published
|
|
6MVN
| LasR LBD L130F:3OC10HSL complex | Descriptor: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]decanamide, Transcriptional regulator LasR | Authors: | Bassler, B.L, Paczkowski, J.E. | Deposit date: | 2018-10-26 | Release date: | 2019-01-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural determinants driving homoserine lactone ligand selection in thePseudomonas aeruginosaLasR quorum-sensing receptor. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
6MWL
| LasR LBD:mBTL complex | Descriptor: | 4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide, Transcriptional regulator LasR | Authors: | Bassler, B.L, Paczkowski, J.E. | Deposit date: | 2018-10-29 | Release date: | 2019-04-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor. Acs Chem.Biol., 14, 2019
|
|
6MWZ
| LasR LBD T75V/Y93F/A127W:BB0126 | Descriptor: | 4-[3-(methylsulfonyl)phenoxy]-N-[(1S,3S,5S)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide, ALA-HIS-HIS-HIS-HIS-ALA, Transcriptional regulator LasR | Authors: | Bassler, B.L, Paczkowski, J.E. | Deposit date: | 2018-10-30 | Release date: | 2019-04-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.657 Å) | Cite: | An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor. Acs Chem.Biol., 14, 2019
|
|
6MZ0
| Crystal structure of Tdp1 catalytic domain in complex with compound XZ530 | Descriptor: | 1,2-ETHANEDIOL, 5-hydroxypyrazine-2,3-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-11-02 | Release date: | 2019-11-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.969 Å) | Cite: | Structure of Tdp1 catalytic domain in complex with compound XZ530 To Be Published
|
|
6N0R
| Crystal structure of Tdp1 catalytic domain in complex with compound XZ572 | Descriptor: | 1,2-ETHANEDIOL, 4-(methylamino)benzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-11-07 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.544 Å) | Cite: | Crystal structure of Tdp1 catalytic domain To Be Published
|
|
6N17
| Crystal structure of Tdp1 catalytic domain in complex with compound XZ577 | Descriptor: | 1,2-ETHANEDIOL, 4-[(3-carboxypropanoyl)amino]benzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-11-08 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.639 Å) | Cite: | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening. Nucleic Acids Res., 47, 2019
|
|
6MWH
| LasR LBD:BB0020 complex | Descriptor: | 2-(3-bromophenoxy)-N-[(1S,2S,3R,5S)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide, Transcriptional regulator LasR | Authors: | Bassler, B.L, Paczkowski, J.E. | Deposit date: | 2018-10-29 | Release date: | 2019-04-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An Autoinducer Analogue Reveals an Alternative Mode of Ligand Binding for the LasR Quorum-Sensing Receptor. Acs Chem.Biol., 14, 2019
|
|
6N0D
| Crystal structure of Tdp1 catalytic domain in complex with compound XZ575 | Descriptor: | 1,2-ETHANEDIOL, 4-fluorobenzene-1,2-dicarboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-11-07 | Release date: | 2019-11-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.453 Å) | Cite: | Crystal structure of Tdp1 catalytic domain in complex with compound XZ575 To Be Published
|
|
6NSV
| Crystal structure of the human CHIP TPR domain in complex with a 5mer acetylated optimized peptide | Descriptor: | ACE-LEU-TRP-TRP-PRO-ASP, CHLORIDE ION, E3 ubiquitin-protein ligase CHIP, ... | Authors: | Basu, K, Ravalin, M, Bohn, M.-F, Craik, C.S, Gestwicki, J.E. | Deposit date: | 2019-01-25 | Release date: | 2019-07-31 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.305 Å) | Cite: | Specificity for latent C termini links the E3 ubiquitin ligase CHIP to caspases. Nat.Chem.Biol., 15, 2019
|
|
6NEF
| Outer Membrane Cytochrome S Filament from Geobacter Sulfurreducens | Descriptor: | C-type cytochrome OmcS, HEME C, MAGNESIUM ION | Authors: | Filman, D.J, Marino, S.F, Ward, J.E, Yang, L, Mester, Z, Bullitt, E, Lovley, D.R, Strauss, M. | Deposit date: | 2018-12-17 | Release date: | 2019-07-03 | Last modified: | 2024-10-23 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Cryo-EM reveals the structural basis of long-range electron transport in a cytochrome-based bacterial nanowire. Commun Biol, 2, 2019
|
|
6NPN
| Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor | Descriptor: | (7R)-7-methyl-2-[(3-oxo-2,3-dihydro-1H-indazol-6-yl)amino]-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | Authors: | Counago, R.M, dos Reis, C.V, Takarada, J.E, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2019-01-18 | Release date: | 2019-02-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropynyl-dihydropteridine-3-hydroxyindazole inhibitor To Be Published
|
|
6N0N
| Crystal structure of Tdp1 catalytic domain in complex with compound XZ574 | Descriptor: | 1,2-ETHANEDIOL, 4-methylbenzene-1,2-dicarboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | Deposit date: | 2018-11-07 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.477 Å) | Cite: | Crystal structure of Tdp1 catalytic domain To Be Published
|
|