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7VYU	Crystal structure of NatS Descriptor: 3-oxoacyl-ACP synthase Authors: Yu, Y, He, C, Wu, L, Zhang, Y. Deposit date: 2021-11-15 Release date: 2022-08-24 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Crystal structure of NatS To Be Published
4DQV	Crystal structure of reductase (R) domain of non-ribosomal peptide synthetase from Mycobacterium tuberculosis Descriptor: PROBABLE PEPTIDE SYNTHETASE NRP (PEPTIDE SYNTHASE) Authors: Haque, A.S, Panjikar, S, Sankaranarayanan, R. Deposit date: 2012-02-16 Release date: 2012-06-20 Last modified: 2017-11-15 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Nonprocessive [2 + 2]e- off-loading reductase domains from mycobacterial nonribosomal peptide synthetases. Proc.Natl.Acad.Sci.USA, 109, 2012
4Z0L	The murine cyclooxygenase-2 complexed with a nido-dicarbaborate-containing indomethacin derivative Descriptor: (R)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, (S)-7-{[5-methoxy-2-methyl-3-(methoxycarbonylmethyl)-1H-indolyl]carbonyl}-7,8-dicarba-nido-dodeca-hydroundecaborate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Xu, S, Neumann, W, Banerjee, S, Hey-Hawkins, E, Marnett, L.J. Deposit date: 2015-03-26 Release date: 2015-06-10 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.29 Å) Cite: nido-Dicarbaborate Induces Potent and Selective Inhibition of Cyclooxygenase-2. Chemmedchem, 11, 2016
4HC6	Mycobacterium tuberculosis Rv2523cE77A x-ray structure solved with 1.8 angstrom resolution Descriptor: BROMIDE ION, CHLORIDE ION, GLYCEROL, ... Authors: Kim, H.-B, Han, G.-W, Hung, L.-W, Terwilliger, C.T, Kim, C.-Y, Integrated Center for Structure and Function Innovation (ISFI) Deposit date: 2012-09-28 Release date: 2012-11-28 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Mycobacterium tuberculosis Rv2523cE77A x-ray structure solved with 1.8 angstrom resolution To be Published
4M11	Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... Authors: Xu, S, Banerjee, S, Hermanson, D.J, Marnett, L.J. Deposit date: 2013-08-02 Release date: 2014-01-22 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.45 Å) Cite: Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network. J.Biol.Chem., 289, 2014
4M10	Crystal Structure of Murine Cyclooxygenase-2 Complex with Isoxicam Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ... Authors: Xu, S, Hermanson, D.J, Banerjee, S, Ghebreelasie, K, Marnett, L.J. Deposit date: 2013-08-02 Release date: 2014-01-22 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.01 Å) Cite: Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network. J.Biol.Chem., 289, 2014
6ET1	Crystal structure of PqsBC from Pseudomonas aeruginosa (crystal form 2) Descriptor: PqsB, PqsC Authors: Witzgall, F, Blankenfeldt, W. Deposit date: 2017-10-25 Release date: 2018-07-04 Last modified: 2018-10-24 Method: X-RAY DIFFRACTION (2.65 Å) Cite: The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC. Chembiochem, 19, 2018
6ESZ	Crystal structure of PqsBC from Pseudomonas aeruginosa (crystal form 1) Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DI(HYDROXYETHYL)ETHER, PqsB, ... Authors: Witzgall, F, Blankenfeldt, W. Deposit date: 2017-10-25 Release date: 2018-07-04 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.84 Å) Cite: The Alkylquinolone Repertoire of Pseudomonas aeruginosa is Linked to Structural Flexibility of the FabH-like 2-Heptyl-3-hydroxy-4(1H)-quinolone (PQS) Biosynthesis Enzyme PqsBC. Chembiochem, 19, 2018
3HVC	Crystal structure of human p38alpha MAP kinase Descriptor: 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, Mitogen-activated protein kinase 14 Authors: Perry, J.J, Tainer, J.A. Deposit date: 2009-06-15 Release date: 2009-06-30 Last modified: 2023-09-06 Method: X-RAY DIFFRACTION (2.1 Å) Cite: p38alpha MAP kinase C-terminal domain binding pocket characterized by crystallographic and computational analyses. J.Mol.Biol., 391, 2009
5SNH	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z198194394 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-(4-fluorophenyl)piperazine-1-carboxamide, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.95 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SNT	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z30820160 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-(4-methyl-1,3-thiazol-2-yl)propanamide, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.16 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SN7	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z32327641 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.52 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SOC	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1530301542 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.51 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SNL	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2027049478 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.05 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SNB	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1545313172 Descriptor: (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.67 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SO2	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z31504642 Descriptor: 2-methoxy-N-phenylacetamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.38 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SNF	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z87615031 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[4-(2-amino-2-oxoethyl)phenyl]acetamide, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.99 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SNR	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z198195770 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[3-(carbamoylamino)phenyl]acetamide, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.75 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SNZ	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z44567722 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.84 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SO9	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z1622626423 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-L-alaninamide, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.51 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SOG	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z57328997 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.63 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SN9	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z57258487 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.58 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SN5	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z2856434897 Descriptor: 1-(2-phenylethyl)piperidine-4-carboxamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.57 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SNM	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with Z135439900 Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.63 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023
5SO3	PanDDA analysis group deposition -- Crystal Structure of Pseudomonas Aeruginosa FabF-C164Q mutant protein in complex with JKH100B Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, PHOSPHATE ION, ... Authors: Brenk, R, Georgiou, C. Deposit date: 2022-05-30 Release date: 2023-12-20 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.49 Å) Cite: PanDDA analysis group deposition Chemrxiv, 2023

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