6YM3
 
 | | Crystal structure of Compound 1 with PIP4K2A | | Descriptor: | (2~{R})-2-[[3-cyano-2-[4-(2-ethoxyphenyl)phenyl]-5,8-dihydro-1,7-naphthyridin-4-yl]amino]propanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | Authors: | Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C. | | Deposit date: | 2020-04-07 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
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6YM4
 | | Crystal structure of BAY-297 with PIP4K2A | | Descriptor: | (2~{R})-2-[[2-[4-(3-chloranyl-2-fluoranyl-phenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide, GLYCEROL, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | | Authors: | Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C. | | Deposit date: | 2020-04-07 | | Release date: | 2021-04-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A.
J.Med.Chem., 64, 2021
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7ZOL
 | | Cryo-EM structure of a CRISPR effector in complex with regulator | | Descriptor: | Cas7-11, TPR-CHAT, ZINC ION, ... | | Authors: | Babatunde, E.E, Davide, T, Bertrand, B, Sergey, N, Alexander, M, Henning, S, Dong, C.N. | | Deposit date: | 2022-04-26 | | Release date: | 2022-11-30 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Structural insights into the regulation of Cas7-11 by TPR-CHAT.
Nat.Struct.Mol.Biol., 30, 2023
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7ZOQ
 | | Cryo-EM structure of a CRISPR effector in complex with a caspase regulator | | Descriptor: | RNA (39-MER), TPR-CHAT, ZINC ION, ... | | Authors: | Babatunde, E.E, Davide, T, Bertrand, B, Sergey, N, Alexander, M, Henning, S, Dong, C.N. | | Deposit date: | 2022-04-26 | | Release date: | 2022-11-30 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural insights into the regulation of Cas7-11 by TPR-CHAT.
Nat.Struct.Mol.Biol., 30, 2023
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5YL7
 | | Proteases from Pseudoalteromonas arctica PAMC 21717 (Pro21717) | | Descriptor: | CALCIUM ION, Copurified unknown peptide, Pseudoalteromonas arctica PAMC 21717 | | Authors: | Lee, J.H, Lee, C.W. | | Deposit date: | 2017-10-17 | | Release date: | 2018-01-31 | | Last modified: | 2018-09-12 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of a cold-active protease (Pro21717) from the psychrophilic bacterium, Pseudoalteromonas arctica PAMC 21717, at 1.4 angstrom resolution: Structural adaptations to cold and functional analysis of a laundry detergent enzyme
PLoS ONE, 13, 2018
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4CCH
 | | Crystal structure of the large fragment of DNA polymerase I from Thermus Aquaticus in an open binary complex with d5SICS as templating nucleotide | | Descriptor: | 5'-D(*AP*AP*CP*LHOP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP* C)-3', 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*DOC)-3', DNA POLYMERASE I, ... | | Authors: | Betz, K, Malyshev, D.A, Lavergne, T, Welte, W, Diederichs, K, Romesberg, F.E, Marx, A. | | Deposit date: | 2013-10-23 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Structural Insights Into DNA Replication without Hydrogen Bonds.
J.Am.Chem.Soc., 135, 2013
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2VU7
 | | Atomic resolution (1.08 A) structure of purified thaumatin I grown in sodium meso-tartrate at 4 C | | Descriptor: | 1,2-ETHANEDIOL, S,R MESO-TARTARIC ACID, Thaumatin-1 | | Authors: | Jakoncic, J, Asherie, N, Ginsberg, C. | | Deposit date: | 2008-05-21 | | Release date: | 2009-07-14 | | Last modified: | 2019-02-20 | | Method: | X-RAY DIFFRACTION (1.08 Å) | | Cite: | Tartrate Chirality Determines Thaumatin Crystal Habit
Cryst.Growth Des., 9, 2009
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2VU6
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7OIL
 | | mPI3Kd in complex with compound 58 | | Descriptor: | 2-[(1S)-1-cyclopropylethyl]-5-[4-methyl-2-[[6-(2-oxidanylidenepyrrolidin-1-yl)pyridin-2-yl]amino]-1,3-thiazol-5-yl]-7-methylsulfonyl-3H-isoindol-1-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | | Authors: | Petersen, J. | | Deposit date: | 2021-05-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
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7OI4
 | | mPI3Kd in complex with compound 12 | | Descriptor: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[[4-[(dimethylamino)methyl]phenyl]sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | | Authors: | Petersen, J. | | Deposit date: | 2021-05-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
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7OIS
 | | mPI3Kd in complex with compound 7 | | Descriptor: | N-[5-[2-[(1S)-1-cyclopropylethyl]-7-[(3-methylsulfonylphenyl)sulfamoyl]-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION | | Authors: | Petersen, J. | | Deposit date: | 2021-05-12 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
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7OIJ
 | | mPI3Kd in complex with an inhibitor | | Descriptor: | 6-[[5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxidanylidene-3H-isoindol-5-yl]-4-methyl-1,3-thiazol-2-yl]amino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, SODIUM ION, ... | | Authors: | Petersen, J. | | Deposit date: | 2021-05-11 | | Release date: | 2021-07-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of AZD8154, a Dual PI3K gamma delta Inhibitor for the Treatment of Asthma.
J.Med.Chem., 64, 2021
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7P3E
 | | MHC I A02 Allele presenting YLQLRTFLL | | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, IODIDE ION, ... | | Authors: | Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A. | | Deposit date: | 2021-07-07 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Emergence of immune escape at dominant SARS-CoV-2 killer T cell epitope.
Cell, 185, 2022
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2JHF
 | | Structural evidence for a ligand coordination switch in liver alcohol dehydrogenase | | Descriptor: | ALCOHOL DEHYDROGENASE E CHAIN, CADMIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Meijers, R, Adolph, H.W, Dauter, Z, Wilson, K.S, Lamzin, V.S, Cedergren-Zeppezauer, E.S. | | Deposit date: | 2007-02-22 | | Release date: | 2007-04-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural Evidence for a Ligand Coordination Switch in Liver Alcohol Dehydrogenase
Biochemistry, 46, 2007
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8QOH
 | | Crystal structure of the kinetoplastid kinetochore protein KKT14 C-terminal domain from Apiculatamorpha spiralis | | Descriptor: | kinetochore protein KKT14 | | Authors: | Carter, W, Ballmer, D, Ishii, M, Ludzia, P, Akiyoshi, B. | | Deposit date: | 2023-09-28 | | Release date: | 2024-01-17 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Kinetoplastid kinetochore proteins KKT14-KKT15 are divergent Bub1/BubR1-Bub3 proteins.
Open Biology, 14, 2024
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7NXJ
 | | Crystal structure of human Cdk13/Cyclin K in complex with the inhibitor THZ531 | | Descriptor: | Cyclin-K, Cyclin-dependent kinase 13, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | | Authors: | Anand, K, Greifenberg, A.K, Kaltheuner, I.H, Geyer, M. | | Deposit date: | 2021-03-18 | | Release date: | 2021-05-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Structure-activity relationship study of THZ531 derivatives enables the discovery of BSJ-01-175 as a dual CDK12/13 covalent inhibitor with efficacy in Ewing sarcoma.
Eur.J.Med.Chem., 221, 2021
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2VHK
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1BLC
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8AN1
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7P40
 | | P5C3 is a potent fab neutralizer | | Descriptor: | Spike glycoprotein, Variable Heavy Chain P5C3 (VH), Variable Light Chain P5C3 (VL) | | Authors: | perez, L. | | Deposit date: | 2021-07-09 | | Release date: | 2021-10-13 | | Last modified: | 2023-04-12 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | A highly potent antibody effective against SARS-CoV-2 variants of concern.
Cell Rep, 37, 2021
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8QWL
 | | Structure of p53 cancer mutant Y163C | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, MALONATE ION, ... | | Authors: | Balourdas, D.I, Markl, A.M, Kraemer, A, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-19 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators.
Cell Death Dis, 15, 2024
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1S6D
 | | Structure in solution of a methionine-rich 2S Albumin protein from Sunflower Seed | | Descriptor: | Albumin 8 | | Authors: | Pantoja-Uceda, D, Bruix, M, Shewry, P.R, Santoro, J, Rico, M. | | Deposit date: | 2004-01-23 | | Release date: | 2004-06-29 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of a Methionine-Rich 2S Albumin from Sunflower Seeds: Relationship to Its Allergenic and Emulsifying Properties.
Biochemistry, 43, 2004
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8QWM
 | | Structure of p53 cancer mutant Y205C | | Descriptor: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, L(+)-TARTARIC ACID, ... | | Authors: | Balourdas, D.I, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-19 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators.
Cell Death Dis, 15, 2024
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5N1V
 | | Crystal structure of the protein kinase CK2 catalytic subunit in complex with pyrazolo-pyrimidine macrocyclic ligand | | Descriptor: | 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION, ... | | Authors: | Robb, G, Ferguson, A, Hargreaves, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors.
J. Med. Chem., 60, 2017
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8QWN
 | | Structure of p53 cancer mutant Y220C (hexagonal crystal form) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cellular tumor antigen p53, ... | | Authors: | Balourdas, D.I, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-10-19 | | Release date: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators.
Cell Death Dis, 15, 2024
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