6L6R
| Crystal structure of LRP6 E1E2-SOST complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | Authors: | Choi, H.-J, Kim, J. | Deposit date: | 2019-10-29 | Release date: | 2020-10-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Sclerostin inhibits Wnt signaling through tandem interaction with two LRP6 ectodomains. Nat Commun, 11, 2020
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4N6Z
| Pim1 Complexed with a pyridylcarboxamide | Descriptor: | 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1 | Authors: | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | Deposit date: | 2013-10-14 | Release date: | 2013-11-06 | Last modified: | 2014-07-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett, 4, 2013
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2FLA
| Structure of thereduced HiPIP from thermochromatium tepidum at 0.95 angstrom resolution | Descriptor: | GLYCEROL, High-potential iron-sulfur protein, IRON/SULFUR CLUSTER, ... | Authors: | Hunsicker-Wang, L.M, Stout, C.D, Fee, J.A. | Deposit date: | 2006-01-05 | Release date: | 2006-12-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (0.95 Å) | Cite: | Geometric factors determine, in part, the electronic state of the 4Fe-4S cluster of HiPIP: a geometric, crystallographic, and theoretical study. To be Published
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3CEN
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4N70
| Pim1 Complexed with a pyridylcarboxamide | Descriptor: | N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | Authors: | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | Deposit date: | 2013-10-14 | Release date: | 2013-11-06 | Last modified: | 2014-07-02 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett, 4, 2013
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4N6Y
| Pim1 Complexed with a phenylcarboxamide | Descriptor: | 2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide, Serine/threonine-protein kinase pim-1 | Authors: | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | Deposit date: | 2013-10-14 | Release date: | 2013-11-06 | Last modified: | 2014-07-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett, 4, 2013
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6LCY
| Crystal structure of Synaptotagmin-7 C2B in complex with IP6 | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Synaptotagmin-7 | Authors: | Zhang, Y, Zhang, X, Rao, F, Wang, C. | Deposit date: | 2019-11-20 | Release date: | 2021-03-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | 5-IP 7 is a GPCR messenger mediating neural control of synaptotagmin-dependent insulin exocytosis and glucose homeostasis. Nat Metab, 3, 2021
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6LT8
| HSP90 in complex with KW-2478 | Descriptor: | 2-[2-ethyl-6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-3,5-bis(oxidanyl)phenyl]-~{N},~{N}-bis(2-methoxyethyl)ethanamide, Heat shock protein HSP 90-alpha | Authors: | Cao, H.L. | Deposit date: | 2020-01-21 | Release date: | 2021-01-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.593 Å) | Cite: | Anti-NSCLC activity in vitro of Hsp90 N inhibitor KW-2478 and complex crystal structure determination of Hsp90 N -KW-2478. J.Struct.Biol., 213, 2021
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5BVD
| Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase | Descriptor: | 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-7-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Ma, X, Steven, S. | Deposit date: | 2015-06-05 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase. Bioorg.Med.Chem.Lett., 25, 2015
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5BVE
| Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase | Descriptor: | 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Ma, X, Steven, S. | Deposit date: | 2015-06-05 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase. Bioorg.Med.Chem.Lett., 25, 2015
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5BVF
| Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase | Descriptor: | 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-(2-{[(1S,3R)-3-hydroxycyclopentyl]amino}pyrimidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Ma, X, Steven, S. | Deposit date: | 2015-06-05 | Release date: | 2015-09-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tetrahydropyrrolo-diazepenones as inhibitors of ERK2 kinase. Bioorg.Med.Chem.Lett., 25, 2015
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5DWR
| Identification of N-(4-((1R,3S,5S)-3-amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1,2 and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies | Descriptor: | N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide, Serine/threonine-protein kinase pim-1 | Authors: | Bellamacina, C, Bussiere, D, Burger, M. | Deposit date: | 2015-09-22 | Release date: | 2015-11-11 | Last modified: | 2015-11-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of N-(4-((1R,3S,5S)-3-Amino-5-methylcyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide (PIM447), a Potent and Selective Proviral Insertion Site of Moloney Murine Leukemia (PIM) 1, 2, and 3 Kinase Inhibitor in Clinical Trials for Hematological Malignancies. J.Med.Chem., 58, 2015
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5HD8
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5IIS
| Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl-amide scaffold | Descriptor: | 3-amino-N-(2'-amino-6'-methyl[4,4'-bipyridin]-3-yl)-6-(2-fluorophenyl)pyridine-2-carboxamide, DI(HYDROXYETHYL)ETHER, Serine/threonine-protein kinase pim-1 | Authors: | Bellamacina, C, Bussiere, D, Burger, M. | Deposit date: | 2016-03-01 | Release date: | 2016-04-06 | Last modified: | 2016-05-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, synthesis and structure activity relationship of potent pan-PIM kinase inhibitors derived from the pyridyl carboxamide scaffold. Bioorg.Med.Chem.Lett., 26, 2016
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3T9I
| Pim1 complexed with a novel 3,6-disubstituted indole at 2.6 Ang Resolution | Descriptor: | 2-methoxy-4-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)phenol, Proto-oncogene serine/threonine-protein kinase pim-1 | Authors: | Bellamacina, C, Shu, W, Le, V, Nishiguchi, G, Bussiere, D. | Deposit date: | 2011-08-02 | Release date: | 2011-10-12 | Last modified: | 2011-11-02 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Discovery of novel 3,5-disubstituted indole derivatives as potent inhibitors of Pim-1, Pim-2, and Pim-3 protein kinases. Bioorg.Med.Chem.Lett., 21, 2011
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7WVP
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7WVQ
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4KZ0
| Structure of PI3K gamma with Imidazopyridine inhibitors | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate | Authors: | Knapp, M.S, Elling, R.A. | Deposit date: | 2013-05-29 | Release date: | 2013-07-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K. Bioorg.Med.Chem.Lett., 23, 2013
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4KZC
| Structure of PI3K gamma with Imidazopyridine inhibitors | Descriptor: | N-{6-[6-amino-5-(trifluoromethyl)pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl}acetamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION | Authors: | Knapp, M.S, Elling, E.A. | Deposit date: | 2013-05-29 | Release date: | 2013-07-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K. Bioorg.Med.Chem.Lett., 23, 2013
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6KRE
| TRiC at 0.05 mM ADP-AlFx, Conformation 2, 0.05-C2 | Descriptor: | T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ... | Authors: | Jin, M, Cong, Y. | Deposit date: | 2019-08-21 | Release date: | 2019-09-18 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.45 Å) | Cite: | An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity. Proc.Natl.Acad.Sci.USA, 116, 2019
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6KRD
| TRiC at 0.05 mM ADP-AlFx, Conformation 4, 0.05-C4 | Descriptor: | T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ... | Authors: | Jin, M, Cong, Y. | Deposit date: | 2019-08-21 | Release date: | 2019-09-18 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.38 Å) | Cite: | An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity. Proc.Natl.Acad.Sci.USA, 116, 2019
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6KS8
| TRiC at 0.1 mM ADP-AlFx, Conformation 4, 0.1-C4 | Descriptor: | T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ... | Authors: | Jin, M, Cong, Y. | Deposit date: | 2019-08-23 | Release date: | 2019-09-18 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.69 Å) | Cite: | An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity. Proc.Natl.Acad.Sci.USA, 116, 2019
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6KS7
| TRiC at 0.1 mM ADP-AlFx, Conformation 1, 0.1-C1 | Descriptor: | T-complex protein 1 subunit alpha, T-complex protein 1 subunit beta, T-complex protein 1 subunit delta, ... | Authors: | Jin, M, Cong, Y. | Deposit date: | 2019-08-23 | Release date: | 2019-09-18 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (4.62 Å) | Cite: | An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity. Proc.Natl.Acad.Sci.USA, 116, 2019
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6KS6
| TRiC at 0.2 mM ADP-AlFx, Conformation 1, 0.2-C1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | Authors: | Jin, M, Cong, Y. | Deposit date: | 2019-08-23 | Release date: | 2019-09-18 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.99 Å) | Cite: | An ensemble of cryo-EM structures of TRiC reveal its conformational landscape and subunit specificity. Proc.Natl.Acad.Sci.USA, 116, 2019
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7DK3
| SARS-CoV-2 S trimer, S-open | Descriptor: | Spike glycoprotein | Authors: | Xu, C, Cong, Y. | Deposit date: | 2020-11-23 | Release date: | 2020-12-16 | Last modified: | 2021-02-17 | Method: | ELECTRON MICROSCOPY (6 Å) | Cite: | Conformational dynamics of SARS-CoV-2 trimeric spike glycoprotein in complex with receptor ACE2 revealed by cryo-EM. Sci Adv, 7, 2021
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