5V6I
 
 | | Glycan binding protein Y3 from mushroom Coprinus comatus possesses anti-leukemic activity - Pt derivative | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, PLATINUM (II) ION, ... | | Authors: | Li, K, Zhang, P, Gang, Y, Xia, C, Polston, J.E, Li, G, Li, S, Lin, Z, Yang, L.-J, Bruner, S.D, Ding, Y. | | Deposit date: | 2017-03-16 | | Release date: | 2017-08-16 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Cytotoxic protein from the mushroom Coprinus comatus possesses a unique mode for glycan binding and specificity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8E4F
 | | Crystal structure of dihydrofolate reductase (DHFR) from the filarial nematode W. bancrofti in complex with NADPH and folate | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Lange, K, Frey, K.M, Goodey, N.M. | | Deposit date: | 2022-08-18 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Crystal structure of dihydrofolate reductase from the filarial nematode W. bancrofti in complex with NADPH and folate.
Plos Negl Trop Dis, 17, 2023
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8UCD
 | | Cryo-EM structure of human STEAP1 in complex with AMG 509 Fab | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, AMG 509 anti-STEAP1 Fab, heavy chain, ... | | Authors: | Li, F, Bailis, J.M, Zhang, H. | | Deposit date: | 2023-09-26 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-24 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | AMG 509 (Xaluritamig), an Anti-STEAP1 XmAb 2+1 T-cell Redirecting Immune Therapy with Avidity-Dependent Activity against Prostate Cancer.
Cancer Discov, 14, 2024
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5YKN
 | | crystal structure of Arabidopsis thaliana JMJ14 catalytic domain | | Descriptor: | NICKEL (II) ION, Probable lysine-specific demethylase JMJ14, ZINC ION | | Authors: | Yang, Z, Du, J. | | Deposit date: | 2017-10-15 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Arabidopsis JMJ14-H3K4me3 Complex Provides Insight into the Substrate Specificity of KDM5 Subfamily Histone Demethylases.
Plant Cell, 30, 2018
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5YE3
 | | Crystal structure of the complex of di-acetylated histone H4 and 2A7D9 Fab fragment | | Descriptor: | 2A7D9 L chain, 2A7D9 VH CH1 chain, di-acetylated histone H4 | | Authors: | Matsuda, T, Ito, T, Wakamori, M, Umehara, T. | | Deposit date: | 2017-09-15 | | Release date: | 2018-08-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | JQ1 affects BRD2-dependent and independent transcription regulation without disrupting H4-hyperacetylated chromatin states.
Epigenetics, 13, 2018
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5WEF
 | | Crystal structure of the influenza virus PA endonuclease (F105S mutant) in complex with inhibitor 7a (SRI-29770) | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-07-09 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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5WTW
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5WFZ
 | | Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 8e (SRI-30049) | | Descriptor: | 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-07-13 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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8USR
 | | IL17A homodimer complexed to Compound 23 | | Descriptor: | Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide | | Authors: | Argiriadi, M.A, Ramos, A.L. | | Deposit date: | 2023-10-29 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
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8USS
 | | IL17A complexed to Compound 7 | | Descriptor: | 4,5-dichloro-N-[(1S)-1-cyclohexyl-2-{[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]amino}-2-oxoethyl]-1H-pyrrole-2-carboxamide, CHLORIDE ION, Interleukin-17A | | Authors: | Argiriadi, M.A, Ramos, A.L. | | Deposit date: | 2023-10-29 | | Release date: | 2024-04-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds.
J.Med.Chem., 67, 2024
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5WA7
 | | Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 9b (SRI-30101) | | Descriptor: | 2-{(2S)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-06-25 | | Release date: | 2018-01-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.204 Å) | | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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5W3I
 | | Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 6e (SRI-29685) | | Descriptor: | 5-hydroxy-N-(2-methoxyethyl)-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxamide, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-06-07 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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6VQN
 | | Co-crystal structure of human PD-L1 complexed with Compound A | | Descriptor: | N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide), Programmed cell death 1 ligand 1 | | Authors: | White, A, Lakshminarasimhan, D, Leo, C, Suto, R.K. | | Deposit date: | 2020-02-05 | | Release date: | 2021-01-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Checkpoint inhibition through small molecule-induced internalization of programmed death-ligand 1.
Nat Commun, 12, 2021
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5TZB
 | | Burkholderia sp. beta-aminopeptidase | | Descriptor: | CALCIUM ION, D-aminopeptidase | | Authors: | McGowan, S, Drinkwater, N, John, M, Dumsday, G. | | Deposit date: | 2016-11-21 | | Release date: | 2017-07-12 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.977 Å) | | Cite: | Crystal structure of a beta-aminopeptidase from an Australian Burkholderia sp.
Acta Crystallogr F Struct Biol Commun, 73, 2017
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5VT2
 | | Crystal structure of growth differentiation factor | | Descriptor: | 1,2-ETHANEDIOL, Growth/differentiation factor 15 | | Authors: | Min, X, Wang, Z. | | Deposit date: | 2017-05-15 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Long-acting MIC-1/GDF15 molecules to treat obesity: Evidence from mice to monkeys.
Sci Transl Med, 9, 2017
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8P8G
 | | Nitrogenase MoFe protein from A. vinelandii beta double mutant D353G/D357G | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 3-HYDROXY-3-CARBOXY-ADIPIC ACID, ... | | Authors: | Maslac, N, Wagner, T. | | Deposit date: | 2023-06-01 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The Mononuclear Metal-Binding Site of Mo-Nitrogenase Is Not Required for Activity.
Jacs Au, 3, 2023
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8Q0U
 | | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity | | Descriptor: | Polyketide synthase Pks13, SULFATE ION, ~{N}-[(1~{R})-2-[4-(azetidin-1-ylcarbonyl)phenyl]-1-cyano-ethyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxamide | | Authors: | Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B. | | Deposit date: | 2023-07-29 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
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8Q0T
 | | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity | | Descriptor: | 3-(3,4-dimethoxyphenyl)-~{N}-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide, Polyketide synthase Pks13 | | Authors: | Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B. | | Deposit date: | 2023-07-29 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
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8Q17
 | | Identification and optimisation of novel inhibitors of the Polyketide synthetase 13 thioesterase domain with antitubercular activity | | Descriptor: | (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, GLYCEROL, Polyketide synthase Pks13, ... | | Authors: | Eadsforth, T.C, Punekar, A.S, Green, S.R, Baragana, B. | | Deposit date: | 2023-07-30 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Identification and Optimization of Novel Inhibitors of the Polyketide Synthase 13 Thioesterase Domain with Antitubercular Activity.
J.Med.Chem., 66, 2023
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5VAA
 | | Crystal structure of mouse IgG2a Fc T370K mutant | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Ig gamma-2A chain C region, ... | | Authors: | Armstrong, A.A, Gilliland, G.L. | | Deposit date: | 2017-03-24 | | Release date: | 2017-06-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Efficient Generation of Bispecific Murine Antibodies for Pre-Clinical Investigations in Syngeneic Rodent Models.
Sci Rep, 7, 2017
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6VKF
 | | CCHFV GP38 (IbAr10200) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GP38 | | Authors: | Mishra, A.K, McLellan, J.S. | | Deposit date: | 2020-01-20 | | Release date: | 2020-02-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.524 Å) | | Cite: | Structure and Characterization of Crimean-Congo Hemorrhagic Fever Virus GP38.
J.Virol., 94, 2020
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5WFM
 | | Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 10e (SRI-30024) | | Descriptor: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-07-12 | | Release date: | 2018-01-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.251 Å) | | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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5WFW
 | | Crystal structure of the influenza virus PA endonuclease (E119D mutant) in complex with inhibitor 10j (SRI-30026) | | Descriptor: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-ox o-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-07-12 | | Release date: | 2018-01-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.292 Å) | | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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5WRE
 | | Hepatitis B virus core protein Y132A mutant in complex with heteroaryldihydropyrimidine (HAP_R01) | | Descriptor: | (2S)-1-[[(4R)-4-(2-chloranyl-4-fluoranyl-phenyl)-5-methoxycarbonyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4,4-bis(fluoranyl)pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ... | | Authors: | Zhou, Z, Xu, Z.H. | | Deposit date: | 2016-12-01 | | Release date: | 2017-02-22 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.946 Å) | | Cite: | Heteroaryldihydropyrimidine (HAP) and Sulfamoylbenzamide (SBA) Inhibit Hepatitis B Virus Replication by Different Molecular Mechanisms.
Sci Rep, 7, 2017
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5WDW
 | | Crystal structure of the influenza virus PA endonuclease in complex with inhibitor 10k (SRI-30027) | | Descriptor: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-{[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, Polymerase acidic protein | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-07-06 | | Release date: | 2018-01-03 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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