7AZE
| DNA polymerase sliding clamp from Escherichia coli with peptide 18 bound | Descriptor: | Beta sliding clamp, GLYCEROL, MALONATE ION, ... | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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7AZC
| DNA polymerase sliding clamp from Escherichia coli with peptide 22 bound | Descriptor: | Beta sliding clamp, GLYCEROL, Peptide 22 | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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7AZF
| DNA polymerase sliding clamp from Escherichia coli with peptide 8 bound | Descriptor: | Beta sliding clamp, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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7AZK
| DNA polymerase sliding clamp from Escherichia coli with peptide 35 bound | Descriptor: | Beta sliding clamp, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | Deposit date: | 2020-11-16 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp. J.Med.Chem., 64, 2021
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7B2I
| Heterodimeric tRNA-Guanine Transglycosylase from mouse | Descriptor: | CITRIC ACID, DI(HYDROXYETHYL)ETHER, HEXAETHYLENE GLYCOL, ... | Authors: | Sebastiani, M, Heine, A, Reuter, K. | Deposit date: | 2020-11-27 | Release date: | 2021-12-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural and Biochemical Investigation of the Heterodimeric Murine tRNA-Guanine Transglycosylase. Acs Chem.Biol., 17, 2022
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8X38
| Crystal Structure of Decarboxylative Vanillate 1-Hydroxylase from Phanerochaete chrysosporium | Descriptor: | ACETATE ION, Decarboxylative Vanillate 1-Hydroxylase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Suzuki, H, Mori, R, Ishida, T, Igarashi, K, Shimizu, M. | Deposit date: | 2023-11-12 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Decarboxylative Vanillate 1-Hydroxylase from Phanerochaete chrysosporium To Be Published
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7U3E
| GID4 in complex with compound 1 | Descriptor: | Glucose-induced degradation protein 4 homolog, tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate | Authors: | Chana, C.K, Sicheri, F. | Deposit date: | 2022-02-27 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.852 Å) | Cite: | Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J.Med.Chem., 65, 2022
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7U3F
| GID4 in complex with compound 4 | Descriptor: | (4R)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine, GLYCEROL, Glucose-induced degradation protein 4 homolog | Authors: | Chana, C.K, Sicheri, F. | Deposit date: | 2022-02-27 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J.Med.Chem., 65, 2022
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7U3H
| GID4 in complex with compound 7 | Descriptor: | (5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine, Glucose-induced degradation protein 4 homolog | Authors: | Chana, C.K, Sicheri, F. | Deposit date: | 2022-02-27 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J.Med.Chem., 65, 2022
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7U3L
| GID4 in complex with compound 91 | Descriptor: | GLYCEROL, Glucose-induced degradation protein 4 homolog, Nalpha-{(2R,4E)-2-[(N-benzylglycyl)amino]-5-phenylpent-4-enoyl}-N,4-dimethyl-L-phenylalaninamide | Authors: | Chana, C.K, Sicheri, F. | Deposit date: | 2022-02-27 | Release date: | 2022-10-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.295 Å) | Cite: | Discovery and Structural Characterization of Small Molecule Binders of the Human CTLH E3 Ligase Subunit GID4. J.Med.Chem., 65, 2022
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6SLY
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1S4I
| Crystal structure of a SOD-like protein from Bacillus subtilis | Descriptor: | CHLORIDE ION, ZINC ION, superoxide dismutase-like protein yojM | Authors: | Banci, L, Bertini, I, Calderone, V, Cramaro, F, Del Conte, R, Fantoni, A, Mangani, S, Quattrone, A, Viezzoli, M.S. | Deposit date: | 2004-01-16 | Release date: | 2005-04-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A prokaryotic superoxide dismutase paralog lacking two Cu ligands: from largely unstructured in solution to ordered in the crystal. Proc.Natl.Acad.Sci.Usa, 102, 2005
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2XMI
| Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, complexed with citrate | Descriptor: | 2', 3'-CYCLIC-NUCLEOTIDE 3'-PHOSPHODIESTERASE, CITRATE ANION, ... | Authors: | Myllykoski, M, Kursula, P. | Deposit date: | 2010-07-28 | Release date: | 2011-08-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Myelin 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase: Active-Site Ligand Binding and Molecular Conformation. Plos One, 7, 2012
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2YDB
| Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, soaked with 2',3'-cyclic NADP | Descriptor: | 2', 3'-CYCLIC NUCLEOTIDE 3'-PHOSPHODIESTERASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Myllykoski, M, Kursula, P. | Deposit date: | 2011-03-18 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Myelin 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase: Active- Site Ligand Binding and Molecular Conformation. Plos One, 7, 2012
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8Y0F
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5FZL
| Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 3-methyl-N-pyridin-4-yl-1,2-oxazole-5-carboxamide (N09954a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide, CHLORIDE ION, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | Deposit date: | 2016-03-14 | Release date: | 2016-04-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 3-Methyl-N-Pyridin-4-Yl-1,2-Oxazole-5-Carboxamide (N09954A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening) To be Published
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7ZL1
| PTX3 Pentraxin Domain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Pentraxin-related protein PTX3 | Authors: | Noone, D.P, Sharp, T.H. | Deposit date: | 2022-04-13 | Release date: | 2022-08-03 | Last modified: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | PTX3 structure determination using a hybrid cryoelectron microscopy and AlphaFold approach offers insights into ligand binding and complement activation. Proc.Natl.Acad.Sci.USA, 119, 2022
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5FZ6
| Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment N05859b (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening) | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-CARBOXYPIPERIDINE, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | Deposit date: | 2016-03-11 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment N05859B (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening) To be Published
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8UWU
| EmrE structure in the proton-bound state (WT/L51I heterodimer) | Descriptor: | SMR family multidrug efflux protein EmrE | Authors: | Li, J, Sae Her, A, Besch, A, Ramirez, B, Crames, M, Banigan, J.R, Mueller, C, Marsiglia, W.M, Zhang, Y, Traaseth, N.J. | Deposit date: | 2023-11-08 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | SOLID-STATE NMR, SOLUTION NMR | Cite: | Dynamics underlie the drug recognition mechanism by the efflux transporter EmrE. Nat Commun, 15, 2024
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2YDD
| Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, soaked with 2',3'-cyclic AMP | Descriptor: | 2', 3'-CYCLIC NUCLEOTIDE 3'-PHOSPHODIESTERASE, ADENOSINE-2'-MONOPHOSPHATE | Authors: | Myllykoski, M, Kursula, P. | Deposit date: | 2011-03-18 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Myelin 2',3'-Cyclic Nucleotide 3'-Phosphodiesterase: Active- Site Ligand Binding and Molecular Conformation. Plos One, 7, 2012
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6TQ0
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6RZ7
| Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2570366 (F222 space group) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ... | Authors: | Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | Deposit date: | 2019-06-12 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors. Nat Commun, 10, 2019
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6RZ9
| Crystal structure of the human cysteinyl leukotriene receptor 2 in complex with ONO-2770372 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid, CHOLESTEROL, ... | Authors: | Gusach, A, Luginina, A, Marin, E, Brouillette, R.L, Besserer-Offroy, E, Longpre, J.M, Ishchenko, A, Popov, P, Fujimoto, T, Maruyama, T, Stauch, B, Ergasheva, M, Romanovskaya, D, Stepko, A, Kovalev, K, Shevtsov, M, Gordeliy, V, Han, G.W, Sarret, P, Katritch, V, Borshchevskiy, V, Mishin, A, Cherezov, V. | Deposit date: | 2019-06-12 | Release date: | 2019-12-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors. Nat Commun, 10, 2019
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6S25
| Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate | Authors: | Picaud, S, Traquete, R, Bernardes, G.J.L, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | Deposit date: | 2019-06-20 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Structure of the first bromodomain of BRD4 in complex with a benzodiazepine ligand To Be Published
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6TRK
| Phl p 6 fold stabilized mutant - S46Y | Descriptor: | Pollen allergen Phl p 6, ZINC ION | Authors: | Soh, W.T, Brandstetter, H. | Deposit date: | 2019-12-19 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | In silico Design of Phl p 6 Variants With Altered Fold-Stability Significantly Impacts Antigen Processing, Immunogenicity and Immune Polarization. Front Immunol, 11, 2020
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