7K81
| KIR3DL1*005 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, Beta-2-microglobulin, ... | Authors: | MacLachlan, B.J, Rossjohn, J, Vivian, J.P. | Deposit date: | 2020-09-24 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1. J Immunol., 206, 2021
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7MFL
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7MFK
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6KKV
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7K80
| KIR3DL1*001 in complex with HLA-A*24:02 presenting the RYPLTFGW peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ARG-TYR-PRO-LEU-THR-PHE-GLY-TRP, ... | Authors: | MacLachlan, B.J, Rossjohn, J, Vivian, J.P. | Deposit date: | 2020-09-24 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Role of the HLA Class I alpha 2 Helix in Determining Ligand Hierarchy for the Killer Cell Ig-like Receptor 3DL1. J Immunol., 206, 2021
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8X22
| HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:dGTP ternary complex | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA/RNA (38-MER), GLYCEROL, ... | Authors: | Yasutake, Y, Hattori, S.I, Mitsuya, H. | Deposit date: | 2023-11-09 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations. Sci Rep, 14, 2024
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8X1Z
| HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y:DNA:E-CFCP-TP ternary complex | Descriptor: | DNA/RNA (38-MER), E-CFCP-triphosphate, GLYCEROL, ... | Authors: | Yasutake, Y, Hattori, S.I, Mitsuya, H. | Deposit date: | 2023-11-09 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations. Sci Rep, 14, 2024
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8X21
| HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:ETV-TP ternary complex | Descriptor: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | Authors: | Yasutake, Y, Hattori, S.I, Mitsuya, H. | Deposit date: | 2023-11-09 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations. Sci Rep, 14, 2024
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8X20
| HIV-1 reverse transcriptase mutant Q151M/Y115F/F116Y/L74V:DNA:E-CFCP-TP ternary complex | Descriptor: | DNA/RNA (38-MER), E-CFCP-triphosphate, GLYCEROL, ... | Authors: | Yasutake, Y, Hattori, S.I, Mitsuya, H. | Deposit date: | 2023-11-09 | Release date: | 2024-07-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Deviated binding of anti-HBV nucleoside analog E-CFCP-TP to the reverse transcriptase active site attenuates the effect of drug-resistant mutations. Sci Rep, 14, 2024
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7BDQ
| MAPK14 bound with SR300 | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | Authors: | Schroeder, M, Roehm, S, Joerger, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-22 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. J.Med.Chem., 64, 2021
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7BDO
| MAPK14 bound with SR302 | Descriptor: | Mitogen-activated protein kinase 14, ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide | Authors: | Schroeder, M, Roehm, S, Joerger, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-12-22 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe. J.Med.Chem., 64, 2021
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6CAJ
| Electron cryo-microscopy of the eukaryotic translation initiation factor 2B from Homo sapiens | Descriptor: | 2-(4-chloranylphenoxy)-~{N}-[4-[2-(4-chloranylphenoxy)ethanoylamino]cyclohexyl]ethanamide, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ... | Authors: | Tsai, J.C, Miller-Vedam, L.E, Anand, A.A, Jaishankar, P, Nguyen, H.C, Renslo, A.R, Frost, A, Walter, P. | Deposit date: | 2018-01-31 | Release date: | 2018-04-11 | Last modified: | 2019-11-20 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure of the nucleotide exchange factor eIF2B reveals mechanism of memory-enhancing molecule. Science, 359, 2018
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1LB0
| NMR Structure of HIV-1 gp41 659-671 13-mer peptide | Descriptor: | GP41 | Authors: | Biron, Z. | Deposit date: | 2002-04-01 | Release date: | 2002-12-04 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A Monomeric 3(10)-Helix Is Formed in Water by a 13-Residue Peptide
Representing the Neutralizing Determinant of HIV-1 on gp41(,). Biochemistry, 41, 2002
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4CM6
| Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor | Descriptor: | (E)-2-amino-4-oxo-6-styryl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Barrack, K.L, Hunter, W.N. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Based Design and Synthesis of Antiparasitic Pyrrolopyrimidines Targeting Pteridine Reductase 1. J.Med.Chem., 57, 2014
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8U17
| The ternary complex structure of DDB1-CRBN-SALL4(ZF1,2)-long bound to Pomalidomide | Descriptor: | DNA damage-binding protein 1, Protein cereblon, S-Pomalidomide, ... | Authors: | Clifton, M.C, Ma, X, Ornelas, E. | Deposit date: | 2023-08-30 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural and biophysical comparisons of the pomalidomide- and CC-220-induced interactions of SALL4 with cereblon. Sci Rep, 13, 2023
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8U15
| The ternary complex structure of DDB1-CRBN-SALL4(ZF1,2)-short bound to CC-220 | Descriptor: | (3S)-3-[4-({4-[(morpholin-4-yl)methyl]phenyl}methoxy)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione, DDB1, Protein cereblon, ... | Authors: | Clifton, M.C, Ma, X, Ornelas, E. | Deposit date: | 2023-08-30 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural and biophysical comparisons of the pomalidomide- and CC-220-induced interactions of SALL4 with cereblon. Sci Rep, 13, 2023
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8U16
| The ternary complex structure of DDB1-CRBN-SALL4(ZF1,2)-short bound to Pomalidomide | Descriptor: | 1,2-ETHANEDIOL, DNA damage-binding protein 1, Protein cereblon, ... | Authors: | Clifton, M.C, Ma, X, Ornelas, E. | Deposit date: | 2023-08-30 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and biophysical comparisons of the pomalidomide- and CC-220-induced interactions of SALL4 with cereblon. Sci Rep, 13, 2023
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1Q4R
| Gene Product of At3g17210 from Arabidopsis Thaliana | Descriptor: | MAGNESIUM ION, protein At3g17210 | Authors: | Phillips Jr, G.N, Bingman, C.A, Johnson, K.A, Smith, D.W, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2003-08-04 | Release date: | 2003-11-25 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the protein from gene At3g17210 of Arabidopsis thaliana Proteins, 57, 2004
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7TH1
| Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B3 | Descriptor: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[(3-methylphenyl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-10 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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1KYH
| Structure of Bacillus subtilis YxkO, a Member of the UPF0031 Family and a Putative Kinase | Descriptor: | Hypothetical 29.9 kDa protein in SIGY-CYDD intergenic region | Authors: | Zhang, R, Dementieva, I, Vinokour, E, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2002-02-04 | Release date: | 2002-08-14 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of Bacillus subtilis YXKO--a member of the UPF0031 family and a putative kinase. J.Struct.Biol., 139, 2002
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7THF
| Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B53 | Descriptor: | 3-(4'-{[(4S,7S,11R,13E,19S)-19-{[2-(2-aminoethoxy)ethyl]carbamoyl}-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosin-4-yl]methyl}[1,1'-biphenyl]-4-yl)pentanedioic acid, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-10 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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7TNH
| Crystal structure of CSF1R kinase domain in complex with DP-6233 | Descriptor: | 2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide, CHLORIDE ION, Macrophage colony-stimulating factor 1 receptor,Fibroblast growth factor receptor 1 chimera, ... | Authors: | Edwards, T.E, Arakaki, T.L, Chun, L, Flynn, D.L. | Deposit date: | 2022-01-21 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Discovery of acyl ureas as highly selective small molecule CSF1R kinase inhibitors. Bioorg.Med.Chem.Lett., 74, 2022
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4DFP
| Crystal structure of the large fragment of DNA Polymerase I from Thermus aqauticus in a ternary complex with 7-(aminopentinyl)-7-deaza-dGTP | Descriptor: | 1,2-ETHANEDIOL, 2-amino-5-(5-aminopent-1-yn-1-yl)-7-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 5'-d(AAACGGCGCCGTGGTC)-3', ... | Authors: | Bergen, K, Steck, A, Struett, S, Baccaro, A, Welte, W, Diederichs, K, Marx, A. | Deposit date: | 2012-01-24 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structures of KlenTaq DNA Polymerase Caught While Incorporating C5-Modified Pyrimidine and C7-Modified 7-Deazapurine Nucleoside Triphosphates. J.Am.Chem.Soc., 134, 2012
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7TGV
| Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor B2 | Descriptor: | (4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-7-benzyl-4-[([1,1'-biphenyl]-4-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Thakur, M.K, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-09 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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7TGS
| Structure of Cyclophilin D Peptidyl-Prolyl Isomerase Domain bound to Macrocyclic Inhibitor JOMBt | Descriptor: | (4S,7R,11S,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(furan-2-yl)methyl]-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial | Authors: | Rangwala, A.M, Seeliger, M.A, Peterson, A.A, Liu, D.R. | Deposit date: | 2022-01-09 | Release date: | 2022-08-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery and molecular basis of subtype-selective cyclophilin inhibitors. Nat.Chem.Biol., 18, 2022
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