7HOT
 
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014668-001 | | Descriptor: | DIMETHYL SULFOXIDE, N-(3-methylpyridin-4-yl)-3-(1,3-thiazol-2-yl)benzamide, SULFATE ION, ... | | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | | Deposit date: | 2024-11-07 | | Release date: | 2025-02-26 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
7HPE
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015259-001 | | Descriptor: | DIMETHYL SULFOXIDE, N-(1-methyl-1H-pyrazol-4-yl)-2-[(propan-2-yl)amino]-1H-1,3-benzimidazole-6-carboxamide, Serine protease NS3, ... | | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | | Deposit date: | 2024-11-07 | | Release date: | 2025-02-26 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
6M8E
 | |
6RZ5
 | | XFEL crystal structure of the human cysteinyl leukotriene receptor 1 in complex with zafirlukast | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Cysteinyl leukotriene receptor 1,Soluble cytochrome b562,Cysteinyl leukotriene receptor 1, OLEIC ACID, ... | | Authors: | Luginina, A, Gusach, A, Marin, E, Mishin, A, Brouillette, R, Popov, P, Shiryaeva, A, Besserer-Offroy, E, Longpre, J.M, Lyapina, E, Ishchenko, A, Patel, N, Polovinkin, V, Safronova, N, Bogorodskiy, A, Edelweiss, E, Liu, W, Batyuk, A, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Cherezov, V. | | Deposit date: | 2019-06-12 | | Release date: | 2019-10-30 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs.
Sci Adv, 5, 2019
|
|
7HP1
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014738-001 | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, N-(1-methyl-1H-pyrazol-4-yl)-2-(2-methylpyrimidin-5-yl)benzamide, ... | | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | | Deposit date: | 2024-11-07 | | Release date: | 2025-02-26 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
4BVR
 | | Cyanuric acid hydrolase: evolutionary innovation by structural concatenation. | | Descriptor: | 1,3,5-triazine-2,4,6-triol, CYANURIC ACID AMIDOHYDROLASE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Peat, T.S, Balotra, S, Wilding, M, French, N.G, Briggs, L.J, Panjikar, S, Cowieson, N, Newman, J, Scott, C. | | Deposit date: | 2013-06-28 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Cyanuric Acid Hydrolase: Evolutionary Innovation by Structural Concatenation.
Mol.Microbiol., 88, 2013
|
|
7HPB
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015080-001 | | Descriptor: | DIMETHYL SULFOXIDE, N-{3-chloro-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl}-2-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide, Serine protease NS3, ... | | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | | Deposit date: | 2024-11-07 | | Release date: | 2025-02-26 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (2.156 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
7DOC
 | | Crystal structure of Zika NS2B-NS3 protease with compound 5 | | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, Core protein, Genome polyprotein, ... | | Authors: | Quek, J.P. | | Deposit date: | 2020-12-14 | | Release date: | 2021-04-14 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.904 Å) | | Cite: | 2-Cyanoisonicotinamide Conjugation: A Facile Approach to Generate Potent Peptide Inhibitors of the Zika Virus Protease.
Acs Med.Chem.Lett., 12, 2021
|
|
9NLE
 | |
4Q12
 | |
6BXA
 | | Crystal structure of N-terminal fragment of Zebrafish Toll-Like Receptor 5 (TLR5) with Lamprey Variable Lymphocyte Receptor 2 (VLR2) bound | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Gunn, R.J, Wilson, I.A, Cooper, M.D, Herrin, B.R. | | Deposit date: | 2017-12-18 | | Release date: | 2018-05-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.298 Å) | | Cite: | VLR Recognition of TLR5 Expands the Molecular Characterization of Protein Antigen Binding by Non-Ig-based Antibodies.
J. Mol. Biol., 430, 2018
|
|
3Q7X
 | | Crystal structure of Symfoil-4P/PV1: de novo designed beta-trefoil architecture with symmetric primary structure, primitive version 1 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, de novo designed beta-trefoil architecture with symmetric primary structure | | Authors: | Blaber, M, Lee, J. | | Deposit date: | 2011-01-05 | | Release date: | 2012-01-11 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Simplified protein design biased for prebiotic amino acids yields a foldable, halophilic protein.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
3HY9
 | | Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol compound | | Descriptor: | (3R)-N~2~-(cyclopropylmethyl)-N~1~-hydroxy-3-(3-hydroxybenzyl)-N~4~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-L-aspartamide, CALCIUM ION, Catalytic Domain of ADAMTS-5, ... | | Authors: | Shieh, H.-S, Williams, J.M, Caspers, N, Mathis, K.J, Tortorella, M.D, Tomasselli, A. | | Deposit date: | 2009-06-22 | | Release date: | 2009-07-07 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Structural and inhibition analysis reveals the mechanism of selectivity of a series of aggrecanase inhibitors
J.Biol.Chem., 284, 2009
|
|
8VVS
 | | Post-decoding post-hydrolysis state obtained from merged datasets of elongation inhibitor-treated mammalian ribosomes | | Descriptor: | 18S rRNA, 28S rRNA, 5.8S rRNA, ... | | Authors: | Loerch, S, Petrossian, E, Smith, P.R, Campbell, Z.T. | | Deposit date: | 2024-01-31 | | Release date: | 2025-07-30 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Rapid purification reveals structural insights into transient ribosome states
To Be Published
|
|
7HP9
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015097-001 | | Descriptor: | DIMETHYL SULFOXIDE, Serine protease NS3, Serine protease subunit NS2B, ... | | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | | Deposit date: | 2024-11-07 | | Release date: | 2025-02-26 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (2.159 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
6LY7
 | | PylRS C-terminus domain mutant bound with 1-Formyl-L-tryptophan and AMPNP | | Descriptor: | MAGNESIUM ION, N1-FORMYL-TRYPTOPHAN, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Weng, J.H, Tsai, M.D, Wang, Y.S. | | Deposit date: | 2020-02-13 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.09447265 Å) | | Cite: | Probing the Active Site of Deubiquitinase USP30 with Noncanonical Tryptophan Analogues.
Biochemistry, 59, 2020
|
|
3HYE
 | | Crystal structure of 20S proteasome in complex with hydroxylated salinosporamide | | Descriptor: | (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde, Proteasome component C1, Proteasome component C11, ... | | Authors: | Groll, M, Arthur, K.A.M, Macherla, V.R, Manam, R.R, Potts, B.C. | | Deposit date: | 2009-06-22 | | Release date: | 2009-09-15 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition
J.Med.Chem., 52, 2009
|
|
6HCC
 | | STRUCTURE OF GLUA2 LIGAND-BINDING DOMAIN (S1S2J-N775S) IN COMPLEX WITH GLUTAMATE AND TDPAM02 AT 1.6 A RESOLUTION. | | Descriptor: | 6,6'-(ETHANE-1,2-DIYL)BIS(4-CYCLOPROPYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE), ACETATE ION, CHLORIDE ION, ... | | Authors: | Laulumaa, S, Hansen, K.V, Frydenvang, K, Kastrup, J.S. | | Deposit date: | 2018-08-14 | | Release date: | 2019-04-03 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.617 Å) | | Cite: | Crystal Structures of Potent Dimeric Positive Allosteric Modulators at the Ligand-Binding Domain of the GluA2 Receptor.
Acs Med.Chem.Lett., 10, 2019
|
|
6E7Z
 | | cryo-EM structure of human TRPML1 with ML-SA1 and PI35P2 | | Descriptor: | (1R,2S,3S,4R,5S,6R)-5-{[(R)-[(2R)-2,3-bis{[(1S)-1-hydroxyoctyl]oxy}propoxy](hydroxy)phosphoryl]oxy}-2,4,6-trihydroxycyclohexane-1,3-diyl bis[dihydrogen (phosphate)], 2-{2-oxo-2-[(4S)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethyl}-1H-isoindole-1,3(2H)-dione, Mucolipin-1 | | Authors: | Schmiege, P, Li, X. | | Deposit date: | 2018-07-27 | | Release date: | 2018-11-28 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Structural basis for PtdInsP2-mediated human TRPML1 regulation.
Nat Commun, 9, 2018
|
|
4BMX
 | | Native structure of futalosine hydrolase of Helicobacter pylori strain 26695 | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENINE, MTA/SAH NUCLEOSIDASE | | Authors: | Kim, R.Q, Offen, W.A, Stubbs, K.A, Davies, G.J. | | Deposit date: | 2013-05-12 | | Release date: | 2013-09-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Structural Enzymology of Helicobacter Pylori Methylthioadenosine Nucleosidase in the Futalosine Pathway
Acta Crystallogr.,Sect.D, 70, 2014
|
|
9DAG
 | | Crystal structure of NDM-1 complexed with compound 13 | | Descriptor: | GLYCEROL, Metallo-beta-lactamase type 2, ZINC ION, ... | | Authors: | Jacobs, L.M.C, Chen, Y. | | Deposit date: | 2024-08-22 | | Release date: | 2025-09-03 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Hit to Lead Optimization of Heteroaryl Phosphonates Reversible, Broad-Spectrum Inhibitors of Serine and Metallo Carbapenemases.
To Be Published
|
|
4ZLU
 | |
2X6S
 | | Human foamy virus integrase - catalytic core. Magnesium-bound structure. | | Descriptor: | INTEGRASE, MAGNESIUM ION | | Authors: | Rety, S, Delelis, O, Rezabkova, L, Dubanchet, B, Silhan, J, Lewit-Bentley, A. | | Deposit date: | 2010-02-19 | | Release date: | 2010-08-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural Studies of the Catalytic Core of the Primate Foamy Virus (Pfv-1) Integrase
Acta Crystallogr.,Sect.F, 66, 2010
|
|
7HPG
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015487-001 | | Descriptor: | DIMETHYL SULFOXIDE, N-(3-methylpyridin-4-yl)-2-oxo-1-{[(3R)-pyrrolidin-3-yl]methyl}-1,2-dihydropyridine-3-carboxamide, SULFATE ION, ... | | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | | Deposit date: | 2024-11-07 | | Release date: | 2025-02-26 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (1.664 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
7HPH
 | | PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015442-001 | | Descriptor: | 4-methoxy-2-(piperazin-1-yl)-6-{[2-(piperazin-1-yl)pyridin-4-yl]methyl}pyrimidine, DIMETHYL SULFOXIDE, Serine protease NS3, ... | | Authors: | Ni, X, Marples, P.G, Godoy, A.S, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Fairhead, M, Lithgo, R.M, Lee, A, Kenton, N, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Williams, E.P, Chandran, A.V, Walsh, M.A, Fearon, D, von Delft, F. | | Deposit date: | 2024-11-07 | | Release date: | 2025-02-26 | | Last modified: | 2025-05-28 | | Method: | X-RAY DIFFRACTION (2.337 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
