7LZS
 
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-11029 | | Descriptor: | 3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide, B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, ... | | Authors: | Kuntz, D.A, Prive, G.G. | | Deposit date: | 2021-03-10 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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8B7D
 | | Luminal domain of TMEM106B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B | | Authors: | Pye, V.E, Roustan, C, Cherepanov, P. | | Deposit date: | 2022-09-29 | | Release date: | 2023-07-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | TMEM106B is a receptor mediating ACE2-independent SARS-CoV-2 cell entry.
Cell, 186, 2023
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7LZQ
 | | Crystal structure of the BCL6 BTB domain in complex with OICR-4425 | | Descriptor: | B-cell lymphoma 6 protein, DIMETHYL SULFOXIDE, N-(3-chloropyridin-4-yl)-2-(5-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide | | Authors: | Kuntz, D.A, Prive, G.G. | | Deposit date: | 2021-03-10 | | Release date: | 2022-08-17 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor.
Acs Med.Chem.Lett., 14, 2023
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7MDP
 | | KRas G12C in complex with G-2897 | | Descriptor: | 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 4-(trifluoromethyl)-1,3-benzothiazol-2-amine, ... | | Authors: | Oh, A, Frank, Y, Wang, W. | | Deposit date: | 2021-04-05 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
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6M8D
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6M8B
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6M88
 | | Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with myricetin | | Descriptor: | 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase | | Authors: | Wang, H, Shears, S.B. | | Deposit date: | 2018-08-21 | | Release date: | 2019-01-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inhibition of Inositol Polyphosphate Kinases by Quercetin and Related Flavonoids: A Structure-Activity Analysis.
J. Med. Chem., 62, 2019
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6M8C
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7PQV
 | | MEK1 IN COMPLEX WITH COMPOUND 7 | | Descriptor: | 8-(2-chloranyl-4-methoxy-phenyl)-7-fluoranyl-1-piperidin-4-yl-imidazo[4,5-c]quinoline, CALCIUM ION, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Moebitz, H. | | Deposit date: | 2021-09-20 | | Release date: | 2022-03-16 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Discovery of MAP855, an Efficacious and Selective MEK1/2 Inhibitor with an ATP-Competitive Mode of Action.
J.Med.Chem., 65, 2022
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7ZPJ
 | | Mammalian Dicer in the "pre-dicing state" with pre-miR-15a substrate and TARBP2 subunit | | Descriptor: | 59-nt precursor of miR-15a, Endoribonuclease Dicer, RISC-loading complex subunit TARBP2 isoform 1 | | Authors: | Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J. | | Deposit date: | 2022-04-27 | | Release date: | 2022-12-28 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.81 Å) | | Cite: | Structural and functional basis of mammalian microRNA biogenesis by Dicer.
Mol.Cell, 82, 2022
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6M8E
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6M8A
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7O40
 | | Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Protein sll0617 | | Authors: | Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D. | | Deposit date: | 2021-04-03 | | Release date: | 2021-06-30 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
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7O3Y
 | | Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Protein sll0617 | | Authors: | Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D. | | Deposit date: | 2021-04-03 | | Release date: | 2021-06-30 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
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7O3Z
 | | Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Protein sll0617 | | Authors: | Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D. | | Deposit date: | 2021-04-03 | | Release date: | 2021-06-30 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
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7O3W
 | | Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Protein sll0617 | | Authors: | Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D. | | Deposit date: | 2021-04-03 | | Release date: | 2021-06-30 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.9 Å) | | Cite: | Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
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7O3X
 | | Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Protein sll0617 | | Authors: | Gupta, T.K, Klumpe, S, Gries, K, Strauss, M, Rudack, T, Schuller, J.M, Schroda, M, Engel, B.D. | | Deposit date: | 2021-04-03 | | Release date: | 2021-06-30 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis for VIPP1 oligomerization and maintenance of thylakoid membrane integrity.
Cell, 184, 2021
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7QT2
 | | Antibody FenAb208 - fentanyl complex | | Descriptor: | Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | | Deposit date: | 2022-01-14 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
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7QT0
 | | Antibody FenAb136 - fentanyl complex | | Descriptor: | 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain | | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | | Deposit date: | 2022-01-14 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
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7QT4
 | | Antibody FenAb709 - fentanyl complex | | Descriptor: | 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain | | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | | Deposit date: | 2022-01-14 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
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7QT3
 | | Antibody FenAb609 - fentanyl complex | | Descriptor: | Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide | | Authors: | Zeelen, J.P, Straaten van, M, Stebbins, C.E. | | Deposit date: | 2022-01-14 | | Release date: | 2023-05-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
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7OVT
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6NM4
 | | Crystal structure of SAM-bound PRDM9 in complex with MRK-740 inhibitor | | Descriptor: | 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane, Histone-lysine N-methyltransferase PRDM9, S-ADENOSYLMETHIONINE, ... | | Authors: | Ivanochko, D, Halabelian, L, Fischer, C, Sanders, J.M, Kattar, S.D, Brown, P.J, Edwards, A.M, Bountra, C, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-01-10 | | Release date: | 2019-02-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Discovery of a chemical probe for PRDM9.
Nat Commun, 10, 2019
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7ZPK
 | | Mammalian Dicer in the "pre-dicing state" with pre-miR-15a substrate and TARBP2 subunit | | Descriptor: | 59-nt precursor of miR-15a, Endoribonuclease Dicer, RISC-loading complex subunit TARBP2 | | Authors: | Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J. | | Deposit date: | 2022-04-27 | | Release date: | 2022-11-16 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.81 Å) | | Cite: | Structural and functional basis of mammalian microRNA biogenesis by Dicer.
Mol.Cell, 82, 2022
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7ZPI
 | | Mammalian Dicer in the "dicing state" with pre-miR-15a substrate | | Descriptor: | 59-nt precursor of miR-15a, Endoribonuclease Dicer | | Authors: | Zanova, M, Zapletal, D, Kubicek, K, Stefl, R, Pinkas, M, Novacek, J. | | Deposit date: | 2022-04-27 | | Release date: | 2022-11-16 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (5.91 Å) | | Cite: | Structural and functional basis of mammalian microRNA biogenesis by Dicer.
Mol.Cell, 82, 2022
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