4OIF
 
 | | 3D structure of Gan42B, a GH42 beta-galactosidase from G. | | Descriptor: | Beta-galactosidase, GLYCEROL, ZINC ION | | Authors: | Solomon, H.V, Tabachnikov, O, Feinberg, H, Shoham, Y, Shoham, G. | | Deposit date: | 2014-01-19 | | Release date: | 2015-02-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.448 Å) | | Cite: | Crystallization and preliminary crystallographic analysis of GanB, a GH42 intracellular beta-galactosidase from Geobacillus stearothermophilus.
Acta Crystallogr.,Sect.F, 69, 2013
|
|
7HTV
 | | PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z57122377 | | Descriptor: | Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, SULFATE ION, ... | | Authors: | Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. | | Deposit date: | 2024-12-23 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (1.963 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
2N0Q
 | | N2-dG-IQ modified DNA at the G1 position of the NarI recognition sequence | | Descriptor: | DNA_(5'-D(*CP*TP*CP*(IQG)P*GP*CP*GP*CP*CP*AP*TP*C)-3'), DNA_(5'-D(*GP*AP*TP*GP*GP*CP*GP*CP*CP*GP*AP*G)-3') | | Authors: | Stavros, K, Hawkins, E, Rizzo, C, Stone, M. | | Deposit date: | 2015-03-11 | | Release date: | 2015-08-19 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Base-Displaced Intercalated Conformation of the 2-Amino-3-methylimidazo[4,5-f]quinoline N(2)-dG DNA Adduct Positioned at the Nonreiterated G(1) in the NarI Restriction Site.
Chem.Res.Toxicol., 28, 2015
|
|
6LID
 | | Heteromeric amino acid transporter b0,+AT-rBAT complex | | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Yan, R.H, Li, Y.N, Lei, J.L, Zhou, Q. | | Deposit date: | 2019-12-10 | | Release date: | 2020-04-29 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM structure of the human heteromeric amino acid transporter b0,+AT-rBAT.
Sci Adv, 6, 2020
|
|
7HTG
 | | PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z422344882 | | Descriptor: | 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, ... | | Authors: | Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. | | Deposit date: | 2024-12-23 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
7HTI
 | | PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z44585777 | | Descriptor: | N-phenylpyrrolidine-1-carboxamide, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic | | Authors: | Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. | | Deposit date: | 2024-12-23 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (2.141 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
7HQW
 | | PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z431953146 | | Descriptor: | (5-phenyl-1,2-oxazol-3-yl)methanol, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, ... | | Authors: | Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. | | Deposit date: | 2024-12-23 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (1.481 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
9CLX
 | | Angiotensin I converting enzyme full-length dimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | | Authors: | Mancl, J.M, Tang, W.J. | | Deposit date: | 2024-07-12 | | Release date: | 2025-06-18 | | Last modified: | 2025-10-08 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Dimerization and dynamics of human angiotensin-I converting enzyme revealed by cryo-EM and MD simulations.
Elife, 14, 2025
|
|
5H9P
 | | Crystal Structure of Human Galectin-3 CRD in Complex with TD139 | | Descriptor: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, Galectin-3 | | Authors: | Hsieh, T.J, Lin, H.Y, Lin, C.H. | | Deposit date: | 2015-12-29 | | Release date: | 2016-06-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors
Sci Rep, 6, 2016
|
|
1BX7
 | | HIRUSTASIN FROM HIRUDO MEDICINALIS AT 1.2 ANGSTROMS | | Descriptor: | HIRUSTASIN, SULFATE ION | | Authors: | Uson, I, Sheldrick, G.M, De La Fortelle, E, Bricogne, G, Di Marco, S, Priestle, J.P, Gruetter, M.G, Mittl, P.R.E. | | Deposit date: | 1998-10-14 | | Release date: | 1999-04-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | The 1.2 A crystal structure of hirustasin reveals the intrinsic flexibility of a family of highly disulphide-bridged inhibitors.
Structure Fold.Des., 7, 1999
|
|
2VD5
 | | Structure of Human Myotonic Dystrophy Protein Kinase in Complex with the Bisindoylmaleide inhibitor BIM VIII | | Descriptor: | 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, DMPK PROTEIN | | Authors: | Pike, A.C.W, Amos, A, Elkins, J, Bullock, A, Guo, K, Fedorov, O, Bunkoczi, G, Filippakopoulos, P, Pilka, E.S, Ugochukwu, E, Umeano, C, Niesen, F, Sundstrom, M, Weigelt, J, Edwards, A, Arrowsmith, C.H, von Delft, F, Knapp, S. | | Deposit date: | 2007-09-30 | | Release date: | 2007-11-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Dystrophia Myotonica Protein Kinase.
Protein Sci., 18, 2009
|
|
7HSL
 | | PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z192955056 | | Descriptor: | Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, SULFATE ION, ... | | Authors: | Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. | | Deposit date: | 2024-12-23 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (1.629 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
3PPJ
 | | Human B-Raf Kinase in Complex with a Furopyridine Inhibitor | | Descriptor: | Serine/threonine-protein kinase B-raf, methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate | | Authors: | Voegtli, W.C, Vigers, G.P.A, Morales, T, Brandhuber, B.J. | | Deposit date: | 2010-11-24 | | Release date: | 2011-02-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Non-oxime inhibitors of B-Raf(V600E) kinase.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
4JVN
 | | Crystal structure of human estrogen sulfotransferase (SULT1E1) in complex with inactive cofactor PAP and metabolite of brominated flame retardant 3OH BDE47 (3-hydroxyl bromodiphenyl ether) | | Descriptor: | 1,2-ETHANEDIOL, 2,6-dibromo-3-(2,4-dibromophenoxy)phenol, ADENOSINE-3'-5'-DIPHOSPHATE, ... | | Authors: | Gosavi, R.A, Knudsen, G.A, Birnbaum, L.S, Pedersen, L.C. | | Deposit date: | 2013-03-25 | | Release date: | 2013-09-04 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Mimicking of Estradiol Binding by Flame Retardants and Their Metabolites: A Crystallographic Analysis.
Environ.Health Perspect., 121, 2013
|
|
7HTD
 | | PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z405825414 | | Descriptor: | N-[(3S)-1-propanoylpiperidin-3-yl]methanesulfonamide, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic | | Authors: | Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. | | Deposit date: | 2024-12-23 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
210L
 | | PROTEIN STRUCTURE PLASTICITY EXEMPLIFIED BY INSERTION AND DELETION MUTANTS IN T4 LYSOZYME | | Descriptor: | 2-HYDROXYETHYL DISULFIDE, T4 LYSOZYME | | Authors: | Vetter, I.R, Baase, W.A, Heinz, D.W, Xiong, J.-P, Snow, S, Matthews, B.W. | | Deposit date: | 1996-09-23 | | Release date: | 1996-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Protein structural plasticity exemplified by insertion and deletion mutants in T4 lysozyme.
Protein Sci., 5, 1996
|
|
3NEG
 | | Pyrabactin-bound PYL1 structure in the open and close forms | | Descriptor: | 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide, Abscisic acid receptor PYL1, BROMIDE ION | | Authors: | Yan, N. | | Deposit date: | 2010-06-08 | | Release date: | 2010-06-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | Functional mechanism of the ABA agonist pyrabactin
J.Biol.Chem., 285, 2010
|
|
3ILR
 | | Structure of Heparinase I from Bacteroides thetaiotaomicron in complex with tetrasaccharide product | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose-(4-1)-4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid, 4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid-(1-4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose, ... | | Authors: | Garron, M.L, Cygler, M, Shaya, D. | | Deposit date: | 2009-08-07 | | Release date: | 2009-09-29 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural snapshots of heparin depolymerization by heparin lyase I.
J.Biol.Chem., 284, 2009
|
|
7HS1
 | | PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z1206890404 | | Descriptor: | (3R)-3-(methylamino)-1-phenylpiperidin-2-one, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic | | Authors: | Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. | | Deposit date: | 2024-12-23 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
7HS8
 | | PanDDA analysis group deposition -- Crystal Structure of FatA in complex with Z1259207775 | | Descriptor: | 4-amino-N-cyclobutyl-1-methyl-1H-pyrazole-3-carboxamide, Oleoyl-acyl carrier protein thioesterase 1, chloroplastic, ... | | Authors: | Kot, E, Ni, X, Tomlinson, C.W.E, Fearon, D, Aschenbrenner, J.C, Fairhead, M, Koekemoer, L, Marx, M.L, Wright, N.D, Mulholland, N.P, Montgomery, M.G, von Delft, F. | | Deposit date: | 2024-12-23 | | Release date: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | PanDDA analysis group deposition
To Be Published
|
|
7VWB
 | | Phloem lectin (PP2) structure -complex with N-Acetyllactosamine (LacNAc) | | Descriptor: | 1,2-ETHANEDIOL, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, phloem lectin | | Authors: | Sivaji, N, Bobbili, K.B, Suguna, K, Surolia, A. | | Deposit date: | 2021-11-10 | | Release date: | 2023-03-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure and interactions of the phloem lectin (phloem protein 2) Cus17 from Cucumis sativus.
Structure, 31, 2023
|
|
3PXY
 | | CDK2 in complex with inhibitor JWS648 | | Descriptor: | 2-(4,6-diamino-1,3,5-triazin-2-yl)-4-methoxyphenol, Cell division protein kinase 2, PHOSPHATE ION | | Authors: | Han, H, Betzi, S, Alam, R, Schonbrunn, E. | | Deposit date: | 2010-12-10 | | Release date: | 2011-02-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of a Potential Allosteric Ligand Binding Site in CDK2.
Acs Chem.Biol., 6, 2011
|
|
4JTZ
 | | Crystal structure of hcv ns5b polymerase in complex with compound 4 | | Descriptor: | 3-{[4-oxo-1-(2,4,6-trifluorobenzyl)-1,4-dihydroquinazolin-6-yl]oxy}-N-(pyridin-3-yl)-2-(trifluoromethyl)benzamide, GLYCEROL, Genome polyprotein, ... | | Authors: | Coulombe, R. | | Deposit date: | 2013-03-24 | | Release date: | 2013-07-03 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Molecular Dynamics Simulations and Structure-Based Rational Design Lead to Allosteric HCV NS5B Polymerase Thumb Pocket 2 Inhibitor with Picomolar Cellular Replicon Potency.
J.Med.Chem., 57, 2014
|
|
4JUA
 | |
3IPS
 | | X-ray structure of benzisoxazole synthetic agonist bound to the LXR-alpha | | Descriptor: | Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, SULFATE ION, ... | | Authors: | Fradera, X, Vu, D, Nimz, O, Skene, R, Hosfield, D, Wijnands, R, Cooke, A.J, Haunso, A, King, A, Bennet, D.J, McGuire, R, Uitdehaag, J.C.M. | | Deposit date: | 2009-08-18 | | Release date: | 2010-06-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | X-ray structures of the LXRalpha LBD in its homodimeric form and implications for heterodimer signaling.
J.Mol.Biol., 399, 2010
|
|
