5AZU
| |
5MR2
| Crystal structure of red abalone VERL repeat 2 with linker at 2.5 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Vitelline envelope sperm lysin receptor | Authors: | Sadat Al-Hosseini, H, Raj, I, Nishimura, K, De Sanctis, D, Jovine, L. | Deposit date: | 2016-12-21 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis of Egg Coat-Sperm Recognition at Fertilization. Cell, 169, 2017
|
|
6VWE
| |
5W9F
| Solution structure of the de novo mini protein gHEEE_02 | Descriptor: | De novo mini protein gHEEE_02 | Authors: | Pulavarti, S.V.S.R.K, Shaw, E.A, Bahl, C.D, Garry, B.W, Baker, D, Szyperski, T. | Deposit date: | 2017-06-23 | Release date: | 2018-07-11 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Cytosolic expression, solution structures, and molecular dynamics simulation of genetically encodable disulfide-rich de novo designed peptides. Protein Sci., 27, 2018
|
|
2A6A
| |
7Y8M
| Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole | Descriptor: | 2-[2,5-bis(fluoranyl)phenyl]pyrrolidine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, reductase | Authors: | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | Deposit date: | 2022-06-24 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Engineered Imine Reductase for Larotrectinib Intermediate Manufacture Acs Catalysis, 12, 2022
|
|
8ENI
| Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor | Descriptor: | 3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one, Bifunctional ligase/repressor BirA | Authors: | Wilce, M.C.J, Cini, D.A. | Deposit date: | 2022-09-30 | Release date: | 2022-11-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus. ACS Infect Dis, 4, 2018
|
|
8FFX
| Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 19980 | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Reverse transcriptase/ribonuclease H, ... | Authors: | Rumrill, S.R, Ruiz, F.X, Arnold, E. | Deposit date: | 2022-12-10 | Release date: | 2023-04-26 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | Targeting HIV-1 Reverse Transcriptase Using a Fragment-Based Approach. Molecules, 28, 2023
|
|
6OC2
| CSP1-cyc(Orn6D10) | Descriptor: | Competence-stimulating peptide type 1 | Authors: | Yang, Y. | Deposit date: | 2019-03-21 | Release date: | 2020-01-08 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Designing cyclic competence-stimulating peptide (CSP) analogs with pan-group quorum-sensing inhibition activity inStreptococcus pneumoniae. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
1ILU
| X-RAY CRYSTAL STRUCTURE THE TWO SITE-SPECIFIC MUTANTS ILE7SER AND PHE110SER OF AZURIN FROM PSEUDOMONAS AERUGINOSA | Descriptor: | AZURIN, COPPER (II) ION | Authors: | Hammann, C, Nar, H, Huber, R, Messerschmidt, A. | Deposit date: | 1995-10-12 | Release date: | 1996-03-08 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | X-ray crystal structure of the two site-specific mutants Ile7Ser and Phe110Ser of azurin from Pseudomonas aeruginosa. J.Mol.Biol., 255, 1996
|
|
1ILS
| X-RAY CRYSTAL STRUCTURE THE TWO SITE-SPECIFIC MUTANTS ILE7SER AND PHE110SER OF AZURIN FROM PSEUDOMONAS AERUGINOSA | Descriptor: | AZURIN, COPPER (II) ION, NITRATE ION | Authors: | Hammann, C, Nar, H, Huber, R, Messerschmidt, A. | Deposit date: | 1995-10-12 | Release date: | 1996-03-08 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray crystal structure of the two site-specific mutants Ile7Ser and Phe110Ser of azurin from Pseudomonas aeruginosa. J.Mol.Biol., 255, 1996
|
|
7UMW
| Crystal structure of E. Coli FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide) | Descriptor: | (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hajian, B. | Deposit date: | 2022-04-08 | Release date: | 2022-12-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections Acs Cent.Sci., 8, 2022
|
|
5MR3
| Crystal structure of red abalone egg VERL repeat 2 with linker in complex with sperm lysin at 1.8 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Egg-lysin, ... | Authors: | Nishimura, K, Raj, I, Sadat Al-Hosseini, H, De Sanctis, D, Jovine, L. | Deposit date: | 2016-12-21 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis of Egg Coat-Sperm Recognition at Fertilization. Cell, 169, 2017
|
|
7S5O
| |
2XK3
| Structure of Nek2 bound to Aminopyrazine compound 35 | Descriptor: | 4-[3-AMINO-6-(3-ETHYLTHIOPHEN-2-YL)PYRAZIN-2-YL]CYCLOHEXANE-1-CARBOXYLIC ACID, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | Authors: | Mas-Droux, C, Bayliss, R. | Deposit date: | 2010-07-07 | Release date: | 2010-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
|
|
2XK4
| Structure of Nek2 bound to aminopyrazine compound 17 | Descriptor: | 4-[3-amino-6-(3,4,5-trimethoxyphenyl)pyrazin-2-yl]-2-ethoxybenzoic acid, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK2 | Authors: | Mas-Droux, C, Bayliss, R. | Deposit date: | 2010-07-07 | Release date: | 2010-10-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Aminopyrazine Inhibitors Binding to an Unusual Inactive Conformation of the Mitotic Kinase Nek2: Sar and Structural Characterization. J.Med.Chem., 53, 2010
|
|
2XNO
| Structure of Nek2 bound to CCT243779 | Descriptor: | 1,2-ETHANEDIOL, 5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide, CHLORIDE ION, ... | Authors: | Mas-Droux, C, Bayliss, R. | Deposit date: | 2010-08-05 | Release date: | 2011-03-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship. J.Med.Chem., 54, 2011
|
|
2XNM
| Structure of NEK2 bound to CCT | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-{6-[(1-METHYLPIPERIDIN-4-YL)OXY]-1H-BENZIMIDAZOL-1-YL}-3-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}THIOPHENE-2-CARBOXAMIDE, ... | Authors: | Mas-Droux, C, Bayliss, R. | Deposit date: | 2010-08-05 | Release date: | 2011-03-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Benzimidazole Inhibitors Induce a Dfg-Out Conformation of Never in Mitosis Gene A-Related Kinase 2 (Nek2) without Binding to the Back Pocket and Reveal a Nonlinear Structure-Activity Relationship. J.Med.Chem., 54, 2011
|
|
1BEM
| |
1BEQ
| |
1BEJ
| |
1BES
| |
3KHP
| |
3KME
| Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor | Descriptor: | (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | Authors: | Orth, P. | Deposit date: | 2009-11-10 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors. Bioorg.Med.Chem.Lett., 20, 2009
|
|
4XJ8
| |