8BI9
| Structure of a cyclic beta-hairpin peptide derived from neuronal nitric oxide synthase (T112W/T116E variant) | Descriptor: | Nitric oxide synthase, brain, TERTIARY-BUTYL ALCOHOL | Authors: | Balboa, J.R, Ostergaard, S, Stromgaard, K, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | Deposit date: | 2022-11-01 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Development of a Potent Cyclic Peptide Inhibitor of the nNOS/PSD-95 Interaction. J.Med.Chem., 66, 2023
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7LHZ
| K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid (compound 25) | Descriptor: | (3S)-10-[(3R)-3-(1-aminocyclopropyl)pyrrolidin-1-yl]-9-fluoro-3-methyl-5-oxo-2,3-dihydro-5H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3'), ... | Authors: | Noeske, J, Shu, W, Bellamacina, C. | Deposit date: | 2021-01-26 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Discovery and Optimization of DNA Gyrase and Topoisomerase IV Inhibitors with Potent Activity against Fluoroquinolone-Resistant Gram-Positive Bacteria. J.Med.Chem., 64, 2021
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4AWO
| Complex of HSP90 ATPase domain with tropane derived inhibitors | Descriptor: | 5-[(2R)-butan-2-ylamino]-N-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide, HEAT SHOCK PROTEIN HSP 90-ALPHA | Authors: | Lougheed, J.C, Stout, T.J. | Deposit date: | 2012-06-05 | Release date: | 2012-08-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90. Bioorg.Med.Chem.Lett., 22, 2012
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4AWQ
| Complex of HSP90 ATPase domain with tropane derived inhibitors | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-benzyl-6-[(3-endo)-3-{[(3-methoxy-2-methylphenyl)carbonyl]amino}-8-azabicyclo[3.2.1]oct-8-yl]pyridine-3-carboxamide | Authors: | Lougheed, J.C, Stout, T.J. | Deposit date: | 2012-06-05 | Release date: | 2012-08-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90. Bioorg.Med.Chem.Lett., 22, 2012
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4AWP
| Complex of HSP90 ATPase domain with tropane derived inhibitors | Descriptor: | HEAT SHOCK PROTEIN HSP 90-ALPHA, N-{(3-endo)-8-[5-(benzylcarbamoyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2,5-dimethylbenzene-1,4-dicarboxamide | Authors: | Lougheed, J.C, Stout, T.J. | Deposit date: | 2012-06-05 | Release date: | 2012-08-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Discovery of Xl888: A Novel Tropane-Derived Small Molecule Inhibitor of Hsp90. Bioorg.Med.Chem.Lett., 22, 2012
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3TH5
| Crystal structure of wild-type RAC1 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2011-08-18 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma. Nat.Genet., 44, 2012
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3SBE
| Crystal structure of RAC1 P29S mutant | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2011-06-03 | Release date: | 2012-07-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma. Nat.Genet., 44, 2012
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3SBD
| Crystal structure of RAC1 P29S mutant | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related C3 botulinum toxin substrate 1 | Authors: | Ha, B.H, Boggon, T.J. | Deposit date: | 2011-06-03 | Release date: | 2012-07-18 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Exome sequencing identifies recurrent somatic RAC1 mutations in melanoma. Nat.Genet., 44, 2012
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8J17
| Crystal structure of IsPETase variant | Descriptor: | Poly(ethylene terephthalate) hydrolase | Authors: | Yin, Q.D, Wang, Y.X. | Deposit date: | 2023-04-12 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Efficient polyethylene terephthalate biodegradation by an engineered Ideonella sakaiensis PETase with a fixed substrate-binding W156 residue Green Chem, 2013
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2GU8
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8GPY
| Crystal structure of Omicron BA.4/5 RBD in complex with a neutralizing antibody scFv | Descriptor: | Spike protein S1, scFv | Authors: | Gao, Y.X, Song, Z.D, Wang, W.M, Guo, Y. | Deposit date: | 2022-08-27 | Release date: | 2023-06-28 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Discovery and characterization of potent pan-variant SARS-CoV-2 neutralizing antibodies from individuals with Omicron breakthrough infection. Nat Commun, 14, 2023
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8GY7
| Cryo-EM structure of ACTH-bound melanocortin-2 receptor in complex with MRAP1 and Gs protein | Descriptor: | CALCIUM ION, Corticotropin, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Luo, P, Feng, W.B, Ma, S.S, Dai, A.T, Yuan, Q.N, Wu, K, Yang, D.H, Wang, M.W, Xu, H.E, Jiang, Y. | Deposit date: | 2022-09-21 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis of signaling regulation of the human melanocortin-2 receptor by MRAP1. Cell Res., 33, 2023
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4ANV
| Complexes of PI3Kgamma with isoform selective inhibitors. | Descriptor: | 2-{4-[(4'-METHOXYBIPHENYL-3-YL)SULFONYL]PIPERAZIN-1-YL}-3-(4-METHOXYPHENYL)PYRAZINE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | Authors: | Foster, P.G, Lougheed, J.C. | Deposit date: | 2012-03-22 | Release date: | 2012-05-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem., 55, 2012
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4BDU
| Bax BH3-in-Groove dimer (GFP) | Descriptor: | GREEN FLUORESCENT PROTEIN, APOPTOSIS REGULATOR BAX | Authors: | Czabotar, P.E, Colman, P.M. | Deposit date: | 2012-10-08 | Release date: | 2013-02-13 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (2.998 Å) | Cite: | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis. Cell(Cambridge,Mass.), 152, 2013
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4ANW
| Complexes of PI3Kgamma with isoform selective inhibitors. | Descriptor: | 3-AMINO-6-{4-CHLORO-3-[(2,3-DIFLUOROPHENYL)SULFAMOYL]PHENYL}-N-METHYLPYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | Authors: | Foster, P.G, Lougheed, J.C. | Deposit date: | 2012-03-22 | Release date: | 2012-05-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem., 55, 2012
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4ANX
| Complexes of PI3Kgamma with isoform selective inhibitors. | Descriptor: | 5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | Authors: | Foster, P.G, Lougheed, J.C. | Deposit date: | 2012-03-22 | Release date: | 2012-05-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem., 55, 2012
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4ANU
| Complexes of PI3Kgamma with isoform selective inhibitors. | Descriptor: | 3-AMINO-N-METHYL-6-[3-(1H-TETRAZOL-5-YL)PHENYL]PYRAZINE-2-CARBOXAMIDE, PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM, SULFATE ION | Authors: | Foster, P.G, Lougheed, J.C. | Deposit date: | 2012-03-22 | Release date: | 2012-05-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | The Discovery of a Novel Series of Potent and Orally Bioavailable Phosphoinositide 3-Kinase Gamma Inhibitors J.Med.Chem., 55, 2012
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4BD2
| Bax domain swapped dimer in complex with BidBH3 | Descriptor: | APOPTOSIS REGULATOR BAX, BH3-INTERACTING DOMAIN DEATH AGONIST | Authors: | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | Deposit date: | 2012-10-04 | Release date: | 2013-02-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.206 Å) | Cite: | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis. Cell(Cambridge,Mass.), 152, 2013
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4BD6
| Bax domain swapped dimer in complex with BaxBH3 | Descriptor: | APOPTOSIS REGULATOR BAX | Authors: | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | Deposit date: | 2012-10-05 | Release date: | 2013-02-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.494 Å) | Cite: | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis. Cell(Cambridge,Mass.), 152, 2013
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4BD8
| Bax domain swapped dimer induced by BimBH3 with CHAPS | Descriptor: | 1,2-ETHANEDIOL, APOPTOSIS REGULATOR BAX, PRASEODYMIUM ION | Authors: | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | Deposit date: | 2012-10-05 | Release date: | 2013-02-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis. Cell(Cambridge,Mass.), 152, 2013
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4BD7
| Bax domain swapped dimer induced by octylmaltoside | Descriptor: | APOPTOSIS REGULATOR BAX, CHLORIDE ION, PRASEODYMIUM ION | Authors: | Czabotar, P.E, Westphal, D, Adams, J.M, Colman, P.M. | Deposit date: | 2012-10-05 | Release date: | 2013-02-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.801 Å) | Cite: | Bax Crystal Structures Reveal How Bh3 Domains Activate Bax and Nucleate its Oligomerization to Induce Apoptosis. Cell(Cambridge,Mass.), 152, 2013
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7XN6
| Cryo-EM structure of CopC-CaM-caspase-3 with ADPR-deacylization | Descriptor: | Arginine ADP-riboxanase CopC, Calmodulin-1, Caspase-3, ... | Authors: | Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S. | Deposit date: | 2022-04-28 | Release date: | 2022-12-14 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin. Mol.Cell, 82, 2022
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7XN4
| Cryo-EM structure of CopC-CaM-caspase-3 with NAD+ | Descriptor: | Arginine ADP-riboxanase CopC, Calmodulin-1, Caspase-3, ... | Authors: | Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S. | Deposit date: | 2022-04-28 | Release date: | 2022-12-14 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.35 Å) | Cite: | Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin. Mol.Cell, 82, 2022
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7XN5
| Cryo-EM structure of CopC-CaM-caspase-3 with ADPR | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Arginine ADP-riboxanase CopC, Calmodulin-1, ... | Authors: | Zhang, K, Peng, T, Tao, X.Y, Tian, M, Li, Y.X, Wang, Z, Ma, S.F, Hu, S.F, Pan, X, Xue, J, Luo, J.W, Wu, Q.L, Fu, Y, Li, S. | Deposit date: | 2022-04-28 | Release date: | 2022-12-14 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Structural insights into caspase ADPR deacylization catalyzed by a bacterial effector and host calmodulin. Mol.Cell, 82, 2022
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3UAH
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