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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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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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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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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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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7WVQ
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7WVP
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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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7C8V
 | | Structure of sybody SR4 in complex with the SARS-CoV-2 S Receptor Binding domain (RBD) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ... | | Authors: | Li, T, Yao, H, Cai, H, Qin, W, Li, D. | | Deposit date: | 2020-06-03 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
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7C8W
 | | Structure of sybody MR17 in complex with the SARS-CoV-2 S receptor-binding domain (RBD) | | Descriptor: | GLYCEROL, Spike protein S1, Synthetic nanobody MR17, ... | | Authors: | Li, T, Cai, H, Yao, H, Qin, W, Li, D. | | Deposit date: | 2020-06-03 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
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7CAN
 | | Structure of sybody MR17-K99Y in complex with the SARS-CoV-2 S Receptor-binding domain (RBD) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ... | | Authors: | Li, T, Yao, H, Cai, H, Qin, W, Li, D. | | Deposit date: | 2020-06-09 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | A synthetic nanobody targeting RBD protects hamsters from SARS-CoV-2 infection.
Nat Commun, 12, 2021
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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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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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7DD2
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7DK4
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7DDN
 | | SARS-Cov2 S protein at open state | | Descriptor: | Spike glycoprotein | | Authors: | Cong, Y, Liu, C.X. | | Deposit date: | 2020-10-29 | | Release date: | 2020-11-25 | | Last modified: | 2021-01-27 | | Method: | ELECTRON MICROSCOPY (6.3 Å) | | Cite: | Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
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7DF4
 | | SARS-CoV-2 S-ACE2 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, Angiotensin-converting enzyme 2, ... | | Authors: | Cong, X, Yao, C. | | Deposit date: | 2020-11-06 | | Release date: | 2020-12-16 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (3.8 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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7DDD
 | | SARS-Cov2 S protein at close state | | Descriptor: | Spike glycoprotein | | Authors: | Cong, Y, Liu, C.X. | | Deposit date: | 2020-10-28 | | Release date: | 2020-11-25 | | Last modified: | 2021-01-27 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Development and structural basis of a two-MAb cocktail for treating SARS-CoV-2 infections.
Nat Commun, 12, 2021
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7DF3
 | | SARS-CoV-2 S trimer, S-closed | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein | | Authors: | Cong, X, Yao, C. | | Deposit date: | 2020-11-06 | | Release date: | 2020-12-16 | | Last modified: | 2021-02-17 | | Method: | ELECTRON MICROSCOPY (2.7 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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7DK7
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7DCX
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7DCC
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