7X3M
 
 | | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045 | | Descriptor: | (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | | Deposit date: | 2022-03-01 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.694 Å) | | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
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4O19
 | | The crystal structure of a mutant NAMPT (G217V) | | Descriptor: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4O18
 | | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4O17
 | | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4O28
 | | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-17 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4O1A
 | | The crystal structure of the mutant NAMPT G217R | | Descriptor: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4O1B
 | | The crystal structure of a mutant NAMPT (G217R) in complex with an inhibitor APO866 | | Descriptor: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4O1D
 | | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | | Descriptor: | (2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.705 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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7VUN
 | | Design, modification, evaluation and cocrystal studies of novel phthalimides regulating PD-1/PD-L1 interaction | | Descriptor: | (2~{S},3~{S})-2-[[6-[(3-cyanophenyl)methoxy]-2-(2-methyl-3-phenyl-phenyl)-1,3-bis(oxidanylidene)isoindol-5-yl]methylamino]-3-oxidanyl-butanoic acid, Programmed cell death 1 ligand 1 | | Authors: | Cheng, Y, Sun, C.L, Chen, M.R, Yang, P, Xiao, Y.B. | | Deposit date: | 2021-11-03 | | Release date: | 2022-09-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Novel phthalimides regulating PD-1/PD-L1 interaction as potential immunotherapy agents.
Acta Pharm Sin B, 12, 2022
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4O1C
 | | The crystal structures of a mutant NAMPT H191R | | Descriptor: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.092 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4O14
 | | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.871 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4O15
 | | The crystal structure of a mutant NAMPT (S165F) in complex with GNE-618 | | Descriptor: | 1,2-ETHANEDIOL, N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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4MPS
 | | Crystal structure of rat Beta-galactoside alpha-2,6-sialyltransferase 1 (ST6GAL1), Northeast Structural Genomics Consortium Target RnR367A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-galactoside alpha-2,6-sialyltransferase 1 | | Authors: | Forouhar, F, Meng, L, Milaninia, S, Seetharaman, J, Su, M, Kornhaber, G, Montelione, G.T, Hunt, J.F, Moremen, K.W, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2013-09-13 | | Release date: | 2013-09-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Enzymatic Basis for N-Glycan Sialylation: STRUCTURE OF RAT alpha 2,6-SIALYLTRANSFERASE (ST6GAL1) REVEALS CONSERVED AND UNIQUE FEATURES FOR GLYCAN SIALYLATION.
J.Biol.Chem., 288, 2013
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2GDL
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4QVX
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5USH
 | | Structure of vaccinia virus D8 protein bound to human Fab vv66 | | Descriptor: | Fab vv66 heavy chain, Fab vv66 light chain, IMV membrane protein | | Authors: | Zajonc, D.M. | | Deposit date: | 2017-02-13 | | Release date: | 2017-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8.
J. Biol. Chem., 293, 2018
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8CYI
 | | Cryo-EM structures and computational analysis for enhanced potency in MTA-synergic inhibition of human protein arginine methyltransferase 5 | | Descriptor: | 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide, ... | | Authors: | Yadav, G.P, Wei, Z, Xiaozhi, Y, Chenglong, L, Jiang, Q. | | Deposit date: | 2022-05-23 | | Release date: | 2023-04-12 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Cryo-EM structure-based selection of computed ligand poses enables design of MTA-synergic PRMT5 inhibitors of better potency.
Commun Biol, 5, 2022
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5XKU
 | | Crystal structure of hemagglutinin globular head from an H7N9 influenza virus in complex with a neutralizing antibody HNIgGA6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HNIgGA6 heavy chain, HNIgGA6 light chain, ... | | Authors: | Chen, C, Wang, J, Wang, W, Gao, X, Cui, S, Jin, Q. | | Deposit date: | 2017-05-09 | | Release date: | 2017-11-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structural Insight into a Human Neutralizing Antibody against Influenza Virus H7N9
J. Virol., 92, 2018
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5USL
 | | Structure of vaccinia virus D8 protein bound to human Fab vv304 | | Descriptor: | Fab vv304 Heavy chain, Fab vv304 Light chain, IMV membrane protein | | Authors: | Zajonc, D.M. | | Deposit date: | 2017-02-13 | | Release date: | 2017-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-function characterization of three human antibodies targeting the vaccinia virus adhesion molecule D8.
J. Biol. Chem., 293, 2018
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4ETQ
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4GQ9
 | | Chikungunya virus neutralizing antibody 9.8B Fab fragment | | Descriptor: | Chikungunya virus neutralizing antibody 9.8B Fab fragment heavy chain, Chikungunya virus neutralizing antibody 9.8B Fab fragment light chain | | Authors: | Sun, S, Rossmann, M.G. | | Deposit date: | 2012-08-22 | | Release date: | 2013-07-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.995 Å) | | Cite: | Structural analyses at pseudo atomic resolution of Chikungunya virus and antibodies show mechanisms of neutralization.
Elife, 2, 2013
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4E9O
 | | Vaccinia D8L ectodomain structure | | Descriptor: | IMV membrane protein, IODIDE ION | | Authors: | Matho, M.H, Zajonc, D.M. | | Deposit date: | 2012-03-21 | | Release date: | 2012-06-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structural and Biochemical Characterization of the Vaccinia Virus Envelope Protein D8 and Its Recognition by the Antibody LA5.
J.Virol., 86, 2012
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5VKC
 | | Crystal structure of MCL-1 in complex with a BIM competitive inhibitor | | Descriptor: | 7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | | Authors: | Judge, R.A, Souers, A.J. | | Deposit date: | 2017-04-21 | | Release date: | 2017-05-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity.
J. Med. Chem., 58, 2015
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4EBQ
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2I1T
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