3TPP
 
 | | Crystal structure of BACE1 complexed with an inhibitor | | Descriptor: | Beta-secretase 1, CHLORIDE ION, N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE, ... | | Authors: | Xu, Y.C, Li, M.J, Greenblatt, H, Chen, T.T, Silman, I, Sussman, J.L. | | Deposit date: | 2011-09-08 | | Release date: | 2011-11-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Flexibility of the flap in the active site of BACE1 as revealed by crystal structures and molecular dynamics simulations
Acta Crystallogr.,Sect.D, 68, 2012
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7XUX
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7YPZ
 | | Zafirlukast in complex with CRM1-Ran-RanBP1 | | Descriptor: | 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ... | | Authors: | Sun, Q, Lei, Y. | | Deposit date: | 2022-08-05 | | Release date: | 2023-08-16 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Searching for Novel Noncovalent Nuclear Export Inhibitors through a Drug Repurposing Approach.
J.Med.Chem., 66, 2023
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8HQ3
 | | KL1 in complex with CRM1-Ran-RanBP1 | | Descriptor: | CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ... | | Authors: | Sun, Q, Jian, L. | | Deposit date: | 2022-12-13 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
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8HQ6
 | | KL2 in complex with CRM1-Ran-RanBP1 | | Descriptor: | CHLORIDE ION, CRM1 isoform 1, DIMETHYL SULFOXIDE, ... | | Authors: | Sun, Q, Jian, L. | | Deposit date: | 2022-12-13 | | Release date: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Discovery of Aminoratjadone Derivatives as Potent Noncovalent CRM1 Inhibitors.
J.Med.Chem., 66, 2023
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7DKL
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6A3A
 | | MVM NES mutant Nm2 in complex with CRM1-Ran-RanBP1 | | Descriptor: | 1,2-ETHANEDIOL, Exportin-1, GLYCEROL, ... | | Authors: | Sun, Q, Li, Y. | | Deposit date: | 2018-06-15 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor.
Int J Nanomedicine, 16, 2021
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6A3E
 | | MVM NES mutant Nm15 in complex with CRM1-Ran-RanBP1 | | Descriptor: | Exportin-1, GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Sun, Q, Li, Y. | | Deposit date: | 2018-06-15 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor.
Int J Nanomedicine, 16, 2021
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6A3C
 | | MVM NES mutant Nm12 in complex with CRM1-Ran-RanBP1 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Exportin-1, ... | | Authors: | Sun, Q, Li, Y. | | Deposit date: | 2018-06-15 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor.
Int J Nanomedicine, 16, 2021
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6A38
 | | MVM NS2 NES in complex with CRM1-Ran-RanBP1 | | Descriptor: | 1,2-ETHANEDIOL, Exportin-1, GLYCEROL, ... | | Authors: | Sun, Q, Li, Y. | | Deposit date: | 2018-06-15 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor.
Int J Nanomedicine, 16, 2021
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6A3B
 | | MVM NES mutant Nm13 in complex with CRM1-Ran-RanBP1 | | Descriptor: | 1,2-ETHANEDIOL, Exportin-1, GLYCEROL, ... | | Authors: | Sun, Q, Li, Y. | | Deposit date: | 2018-06-15 | | Release date: | 2019-06-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor.
Int J Nanomedicine, 16, 2021
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6KFT
 | | MVM NS2 mutant Nm42 in complex with CRM1-Ran-RanBP1 | | Descriptor: | 1,2-ETHANEDIOL, Exportin-1, GLYCEROL, ... | | Authors: | Sun, Q, Li, Y. | | Deposit date: | 2019-07-08 | | Release date: | 2020-07-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Cancer Therapy with Nanoparticle-Medicated Intracellular Expression of Peptide CRM1-Inhibitor.
Int J Nanomedicine, 16, 2021
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6MNR
 | | Rhesus macaque anti-HIV V3 antibody DH753 with gp120 V3 ZAM18 peptide | | Descriptor: | 1,2-ETHANEDIOL, Ab DH753 heavy chain Fab fragment, Ab DH753 light chain, ... | | Authors: | Nicely, N.I. | | Deposit date: | 2018-10-02 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Difficult-to-neutralize global HIV-1 isolates are neutralized by antibodies targeting open envelope conformations.
Nat Commun, 10, 2019
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6MNQ
 | | Rhesus macaque anti-HIV V3 antibody DH727.2 with gp120 V3 ZAM18 peptide | | Descriptor: | 1,2-ETHANEDIOL, Ab DH727.2 heavy chain Fab fragment, Ab DH727.2 light chain, ... | | Authors: | Nicely, N.I. | | Deposit date: | 2018-10-02 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.804 Å) | | Cite: | Difficult-to-neutralize global HIV-1 isolates are neutralized by antibodies targeting open envelope conformations.
Nat Commun, 10, 2019
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6MNS
 | | Rhesus macaque anti-HIV V3 antibody DH753 with gp120 V3 ZAM18 peptide | | Descriptor: | Ab DH753 heavy chain Fab fragment, Ab DH753 light chain, Envelope glylcoprotein, ... | | Authors: | Nicely, N.I. | | Deposit date: | 2018-10-02 | | Release date: | 2019-07-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Difficult-to-neutralize global HIV-1 isolates are neutralized by antibodies targeting open envelope conformations.
Nat Commun, 10, 2019
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6OQI
 | | CDK2 in complex with Cpd14 (5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine) | | Descriptor: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4S)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 2 | | Authors: | Murray, J.M. | | Deposit date: | 2019-04-26 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
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6OQL
 | | CDK6 in complex with Cpd13 (R)-5-fluoro-4-(4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)-N-(5-(4-methylpiperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine | | Descriptor: | 5-fluoro-N-[5-(4-methylpiperazin-1-yl)pyridin-2-yl]-4-[(4R)-4-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl]pyrimidin-2-amine, Cyclin-dependent kinase 6 | | Authors: | Murray, J.M. | | Deposit date: | 2019-04-26 | | Release date: | 2020-07-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.707 Å) | | Cite: | Design of a brain-penetrant CDK4/6 inhibitor for glioblastoma.
Bioorg.Med.Chem.Lett., 29, 2019
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7KEX
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7KEW
 | | Bundibugyo virus GP (mucin deleted) bound to antibody Fab BDBV-43 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BDBV-43 Fab heavy chain, ... | | Authors: | Murin, C.D, Ward, A.B. | | Deposit date: | 2020-10-13 | | Release date: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (4.16 Å) | | Cite: | Convergence of a common solution for broad ebolavirus neutralization by glycan cap-directed human antibodies.
Cell Rep, 35, 2021
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7KFG
 | | Antibody Fab BDBV-289 | | Descriptor: | Antibody Fab BDBV-289 heavy chain, Antibody Fab BDBV-289 light chain, DI(HYDROXYETHYL)ETHER | | Authors: | Murin, C.D, Bruhn, J.F, Ward, A.B. | | Deposit date: | 2020-10-13 | | Release date: | 2021-04-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.002 Å) | | Cite: | Convergence of a common solution for broad ebolavirus neutralization by glycan cap-directed human antibodies.
Cell Rep, 35, 2021
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7KF9
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7KFE
 | | Bundibugyo virus GP (mucin deleted) bound to antibody Fab BDBV-329 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody BDBV-329 heavy chain, ... | | Authors: | Murin, C.D, Ward, A.B. | | Deposit date: | 2020-10-13 | | Release date: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (6.6 Å) | | Cite: | Convergence of a common solution for broad ebolavirus neutralization by glycan cap-directed human antibodies.
Cell Rep, 35, 2021
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7KFH
 | | Ebola virus GP (mucin deleted, Makona strain) bound to antibody Fab EBOV-437 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab EBOV-437 heavy chain, ... | | Authors: | Murin, C.D, Ward, A.B. | | Deposit date: | 2020-10-13 | | Release date: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Convergence of a common solution for broad ebolavirus neutralization by glycan cap-directed human antibodies.
Cell Rep, 35, 2021
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7KFB
 | | Ebola virus GP (mucin deleted, Makona strain) bound to antibody Fab EBOV-442 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab EBOV-442 heavy chain, ... | | Authors: | Murin, C.D, Ward, A.B. | | Deposit date: | 2020-10-13 | | Release date: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Convergence of a common solution for broad ebolavirus neutralization by glycan cap-directed human antibodies.
Cell Rep, 35, 2021
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7KEJ
 | | BDBV-289 bound to EBOV GPdMuc Makona | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab heavy chain (HC) BDBV-289, Antibody Fab light chain (LC) BDBV-289, ... | | Authors: | Murin, C.D, Ward, A.B. | | Deposit date: | 2020-10-11 | | Release date: | 2021-06-23 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Convergence of a common solution for broad ebolavirus neutralization by glycan cap-directed human antibodies.
Cell Rep, 35, 2021
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