6P8T
 
 | | Acinetobacter baumannii tRNA synthetase in complex with compound 1 | | Descriptor: | MAGNESIUM ION, N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine, Phenylalanine--tRNA ligase alpha subunit, ... | | Authors: | Kahne, D, Baidin, V, Owens, T.W. | | Deposit date: | 2019-06-07 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
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4XX5
 | | Structure of PI3K gamma in complex with an inhibitor | | Descriptor: | N-[5-(5-methoxypyridin-3-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M. | | Deposit date: | 2015-01-29 | | Release date: | 2015-08-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structure of PI3K gamma in complex with an inhibitor
To Be Published
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1FNK
 | | CRYSTAL STRUCTURE ANALYSIS OF CHORISMATE MUTASE MUTANT C88K/R90S | | Descriptor: | PROTEIN (CHORISMATE MUTASE) | | Authors: | Kast, P, Grisostomi, C, Chen, I.A, Li, S, Krengel, U, Xue, Y, Hilvert, D. | | Deposit date: | 2000-08-22 | | Release date: | 2000-10-11 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A strategically positioned cation is crucial for efficient catalysis by chorismate mutase.
J.Biol.Chem., 275, 2000
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2ZPS
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8I5C
 | | Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) | | Descriptor: | Beta-2-microglobulin, MHC class I antigen (Fragment), TCR alpha chain, ... | | Authors: | Lu, D, Chen, Y, Jiang, M, Tan, S.G, Chai, Y, Gao, G.F. | | Deposit date: | 2023-01-24 | | Release date: | 2023-08-23 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (3.34 Å) | | Cite: | Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK)
Nat Commun, 2023
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8I5E
 | | Crystal structure of HLA-A*11:01 in complex with KRAS peptide (VVGAGGVGK) | | Descriptor: | Beta-2-microglobulin, KRAS-G12wt-9, MHC class I antigen (Fragment) | | Authors: | Lu, D, Chen, Y, Jiang, M, Tan, S.G, Chai, Y, Gao, G.F. | | Deposit date: | 2023-01-25 | | Release date: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK)
Nat Commun, 2023
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6PEY
 | | MTHFR with mutation Asp120Ala | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Methylenetetrahydrofolate reductase | | Authors: | Gallagher, E.L, Gurney, L.A, Frasco, F.G, Trimmer, E, Bolen, R.L, Collins, K, Garland, E, Halloran, J, Handley-Pendelton, J, Hernandez, V, Leffler, S, Perez, A, Soares, A, Stojanoff, V, Williams, D. | | Deposit date: | 2019-06-21 | | Release date: | 2019-09-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Examination of Asp120Ala a Chemically Important Novel Mutation in the Enzyme Mthylenetetrahydrofolate Reductase
To be published
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4GMR
 | | Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR266. | | Descriptor: | NITRATE ION, OR266 DE NOVO PROTEIN | | Authors: | Vorobiev, S, Su, M, Parmeggiani, F, Seetharaman, J, Huang, P.-S, Mao, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2012-08-16 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.377 Å) | | Cite: | Computational design of self-assembling cyclic protein homo-oligomers.
NAT.CHEM., 9, 2017
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4GL7
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8IMX
 | | Cryo-EM structure of GPI-T with a chimeric GPI-anchored protein | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Xu, Y, Li, T, Qu, Q, Li, D. | | Deposit date: | 2023-03-07 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | Structures of liganded glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis.
Nat Commun, 14, 2023
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4XUG
 | | Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) inhibitor in the alpha site and ammonium ion in the metal coordination site. | | Descriptor: | 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, AMMONIUM ION, ... | | Authors: | Hilario, E, Caulkins, B.G, Young, R.P, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L. | | Deposit date: | 2015-01-25 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystal structure of Tryptophan Synthase from Salmonella typhimurium in complex with 2-({[4-(Trifluoromethoxy)Phenyl]Sulfonyl}Amino)Ethyl Dihydrogen Phosphate (F9F) inhibitor in the alpha site and ammonium ion in the metal coordination site.
To Be Published
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8IM5
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8IHS
 | | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 in complex with ochratoxin A | | Descriptor: | (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, Amidohydrolase family protein, ZINC ION | | Authors: | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-02-23 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
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8IMY
 | | Cryo-EM structure of GPI-T (inactive mutant) with GPI and proULBP2, a proprotein substrate | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, T, Xu, Y, Qu, Q, Li, D. | | Deposit date: | 2023-03-07 | | Release date: | 2023-08-16 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (3.22 Å) | | Cite: | Structures of liganded glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis.
Nat Commun, 14, 2023
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6PDI
 | | Human PIM1 bound to benzothiophene inhibitor 224 | | Descriptor: | 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, GLYCEROL, ... | | Authors: | Godoi, P.H.C, Fala, A.M, Santiago, A.S, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-06-19 | | Release date: | 2019-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Human PIM1
To Be Published
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4XS1
 | | Salmonella typhimurium AhpC T43V mutant | | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, POTASSIUM ION, ... | | Authors: | Perkins, A, Nelson, K, Parsonage, D, Poole, L, Karplus, P.A. | | Deposit date: | 2015-01-21 | | Release date: | 2016-01-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Experimentally Dissecting the Origins of Peroxiredoxin Catalysis.
Antioxid.Redox Signal., 28, 2018
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8IHR
 | | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 in complex with Phe | | Descriptor: | Amidohydrolase family protein, PHENYLALANINE, ZINC ION | | Authors: | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-02-23 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
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6VSA
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4XZ4
 | | Structure of PI3K gamma in complex with an inhibitor | | Descriptor: | N-[5-(6-methoxypyrazin-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Collier, P.N, Messersmith, D, Le Tiran, A, Bandarage, U.K, Boucher, C, Come, J, Cottrell, K.M, Damagnez, V, Doran, J.D, Griffith, J.P, Khare-Pandit, S, Krueger, E.B, Ledeboer, M.W, Ledford, B, Liao, Y, Mahajan, S, Moody, C.S, Wang, T, Xu, J, Aronov, A.M. | | Deposit date: | 2015-02-03 | | Release date: | 2016-02-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of PI3K gamma in complex with an inhibitor
To Be Published
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8IHQ
 | | Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 | | Descriptor: | Amidohydrolase family protein, ZINC ION | | Authors: | Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2023-02-23 | | Release date: | 2023-08-30 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (2.71 Å) | | Cite: | Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
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8IGC
 | | Crystal structure of Bak bound to Bnip5 BH3 | | Descriptor: | Bcl-2 homologous antagonist/killer, Protein BNIP5 | | Authors: | Ku, B, Lim, D. | | Deposit date: | 2023-02-20 | | Release date: | 2023-09-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.697 Å) | | Cite: | Crystal structure of Bak bound to the BH3 domain of Bnip5, a noncanonical BH3 domain-containing protein.
Proteins, 92, 2024
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6PIM
 | | Crystal Structure of Human Protocadherin-1 EC3-4 | | Descriptor: | CALCIUM ION, Protocadherin-1 | | Authors: | Modak, D, Sotomayor, M. | | Deposit date: | 2019-06-26 | | Release date: | 2019-10-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Identification of an adhesive interface for the non-clustered delta 1 protocadherin-1 involved in respiratory diseases.
Commun Biol, 2, 2019
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2ZPQ
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6PK8
 | | Antibody scFv-M204 dimeric state | | Descriptor: | SULFATE ION, scFv-M204 antibody | | Authors: | Abskharon, R, Sawaya, M.R, Seidler, P.M, Cascio, D, Eisenberg, D.S. | | Deposit date: | 2019-06-28 | | Release date: | 2020-06-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.91 Å) | | Cite: | Crystal structure of a conformational antibody that binds tau oligomers and inhibits pathological seeding by extracts from donors with Alzheimer's disease.
J.Biol.Chem., 295, 2020
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2VX0
 | | ephB4 kinase domain inhibitor complex | | Descriptor: | EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N'-(5-CHLORO-1,3-BENZODIOXOL-4-YL)-N-(3-MORPHOLIN-4-YLPHENYL)PYRIMIDINE-2,4-DIAMINE | | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G. | | Deposit date: | 2008-06-30 | | Release date: | 2008-10-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Inhibitors of the Tyrosine Kinase Ephb4. Part 1: Structure-Based Design and Optimization of a Series of 2,4-Bis-Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
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