7CUX
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![BU of 7cux by Molmil](/molmil-images/mine/7cux) | Crystal structure of human Schlafen 5 N'-terminal domain (SLFN5-N) involved in ssRNA cleaving and DNA binding | Descriptor: | Schlafen family member 5, ZINC ION | Authors: | Yang, J.Y, Luo, M, Ou, J.Y, Wang, Z.W, Gao, S. | Deposit date: | 2020-08-25 | Release date: | 2021-08-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.29477072 Å) | Cite: | Crystal structure of human Schlafen 5 N'-terminal domain (SLFN5-N) involved in ssRNA cleaving and DNA binding To Be Published
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7CRU
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![BU of 7cru by Molmil](/molmil-images/mine/7cru) | hnRNPK NLS in complex with Importin alpha 1 (KPNA2) | Descriptor: | ACETATE ION, GLYCEROL, Heterogeneous nuclear ribonucleoprotein K, ... | Authors: | Yao, J, Sun, Q. | Deposit date: | 2020-08-14 | Release date: | 2021-11-17 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Nuclear import receptors and hnRNPK mediates nuclear import and stress granule localization of SIRLOIN. Cell.Mol.Life Sci., 78, 2021
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6WJQ
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![BU of 6wjq by Molmil](/molmil-images/mine/6wjq) | |
6WGE
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![BU of 6wge by Molmil](/molmil-images/mine/6wge) | Cryo-EM structure of human Cohesin-NIPBL-DNA complex without STAG1 | Descriptor: | DNA (43-MER), Double-strand-break repair protein rad21 homolog, MAGNESIUM ION, ... | Authors: | Shi, Z.B, Gao, H, Bai, X.C, Yu, H. | Deposit date: | 2020-04-05 | Release date: | 2020-05-20 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Cryo-EM structure of the human cohesin-NIPBL-DNA complex. Science, 368, 2020
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6WGX
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![BU of 6wgx by Molmil](/molmil-images/mine/6wgx) | Cocrystal of BRD4(D1) with a selective inhibitor | Descriptor: | 1,2-ETHANEDIOL, 4-(1-{1-[2-(dimethylamino)ethyl]piperidin-4-yl}-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4 | Authors: | Johnson, J.A, Cui, H, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2020-04-06 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Selective N-Terminal BET Bromodomain Inhibitors by Targeting Non-Conserved Residues and Structured Water Displacement*. Angew.Chem.Int.Ed.Engl., 60, 2021
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6WVT
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![BU of 6wvt by Molmil](/molmil-images/mine/6wvt) | Structural basis of alphaE-catenin - F-actin catch bond behavior | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Xu, X.P, Pokutta, S, Torres, M, Swift, M.F, Hanein, D, Volkmann, N, Weis, W.I. | Deposit date: | 2020-05-06 | Release date: | 2020-10-07 | Method: | ELECTRON MICROSCOPY (3.56 Å) | Cite: | Structural basis of alpha E-catenin-F-actin catch bond behavior. Elife, 9, 2020
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6X2S
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![BU of 6x2s by Molmil](/molmil-images/mine/6x2s) | Crystal Structure of Mek1(NQ)NES peptide bound to CRM | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, Exportin-1, GLYCEROL, ... | Authors: | Baumhardt, J.M. | Deposit date: | 2020-05-20 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.496 Å) | Cite: | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation. Mol.Biol.Cell, 31, 2020
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6X2M
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![BU of 6x2m by Molmil](/molmil-images/mine/6x2m) | Crystal Structure of unliganded CRM1-Ran-RanBP1 | Descriptor: | Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ... | Authors: | Baumhardt, J.M. | Deposit date: | 2020-05-20 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.351 Å) | Cite: | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation. Mol.Biol.Cell, 31, 2020
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6X2P
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![BU of 6x2p by Molmil](/molmil-images/mine/6x2p) | Crystal Structure of the Mek1NES peptide bound to CRM1 | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, Exportin-1, GLYCEROL, ... | Authors: | Baumhardt, J.M. | Deposit date: | 2020-05-20 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.401 Å) | Cite: | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation. Mol.Biol.Cell, 31, 2020
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6X2V
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![BU of 6x2v by Molmil](/molmil-images/mine/6x2v) | Crystal Structure of PKI(DE)NES peptide bound to CRM1 | Descriptor: | Exportin-1, GLYCEROL, GTP-binding nuclear protein Ran, ... | Authors: | Baumhardt, J.M. | Deposit date: | 2020-05-21 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.822 Å) | Cite: | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation. Mol.Biol.Cell, 31, 2020
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6X3R
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![BU of 6x3r by Molmil](/molmil-images/mine/6x3r) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-21 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6X4P
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![BU of 6x4p by Molmil](/molmil-images/mine/6x4p) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 28) | Descriptor: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6X2O
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![BU of 6x2o by Molmil](/molmil-images/mine/6x2o) | Crystal Structure of unliganded CRM1(E571K)-Ran-RanBP1 | Descriptor: | Exportin-1, GTP-binding nuclear protein Ran, MAGNESIUM ION, ... | Authors: | Baumhardt, J.M. | Deposit date: | 2020-05-20 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.551 Å) | Cite: | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation. Mol.Biol.Cell, 31, 2020
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6X2X
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![BU of 6x2x by Molmil](/molmil-images/mine/6x2x) | Crystal Structure of Mek1NES peptide bound to CRM1(E571K) | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 1, Exportin-1, GLYCEROL, ... | Authors: | Baumhardt, J.M. | Deposit date: | 2020-05-21 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.458 Å) | Cite: | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation. Mol.Biol.Cell, 31, 2020
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6X4M
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![BU of 6x4m by Molmil](/molmil-images/mine/6x4m) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate (compound 3) | Descriptor: | Peptidyl-prolyl cis-trans isomerase A, tert-butyl [(2S)-1-{[(3S,17S)-2,16-dioxo-10,15-dioxa-1,21-diazatricyclo[15.3.1.1~5,9~]docosa-5(22),6,8-trien-3-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6WW3
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![BU of 6ww3 by Molmil](/molmil-images/mine/6ww3) | Crystal structure of HERC2 ZZ domain in complex with SUMO1 tail | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, SUMO1 linked HERC2 ZZ domain (Small ubiquitin-related modifier 1,E3 ubiquitin-protein ligase HERC2), ... | Authors: | Liu, J, Vann, K.R, Kutateladze, T.G. | Deposit date: | 2020-05-07 | Release date: | 2020-08-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.096 Å) | Cite: | Structural Insight into Binding of the ZZ Domain of HERC2 to Histone H3 and SUMO1. Structure, 28, 2020
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6WW8
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![BU of 6ww8 by Molmil](/molmil-images/mine/6ww8) | BRD4 Bromodomain 1 in complex with triple CDK4/6-PI3K-BET inhibitor | Descriptor: | 7-cyclopentyl-N,N-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Bromodomain-containing protein 4 | Authors: | Vann, K.R, Kutateladze, T.G. | Deposit date: | 2020-05-08 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | A triple action CDK4/6-PI3K-BET inhibitor with augmented cancer cell cytotoxicity. Cell Discov, 6, 2020
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6X2Y
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![BU of 6x2y by Molmil](/molmil-images/mine/6x2y) | |
6X4Q
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![BU of 6x4q by Molmil](/molmil-images/mine/6x4q) | Human cyclophilin A bound to a series of acylcic and macrocyclic inhibitors: (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (compound 33) | Descriptor: | (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone, Peptidyl-prolyl cis-trans isomerase A | Authors: | Appleby, T.C, Paulsen, J.L, Schmitz, U, Shivakumar, D. | Deposit date: | 2020-05-22 | Release date: | 2020-06-24 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis. J.Chem.Inf.Model., 60, 2020
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6X2R
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![BU of 6x2r by Molmil](/molmil-images/mine/6x2r) | Crystal Structure of the 4E-TNES peptide bound to CRM1 | Descriptor: | Eukaryotic translation initiation factor 4E transporter, Exportin-1, GLYCEROL, ... | Authors: | Baumhardt, J.M. | Deposit date: | 2020-05-20 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.299 Å) | Cite: | Recognition of nuclear export signals by CRM1 carrying the oncogenic E571K mutation. Mol.Biol.Cell, 31, 2020
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6WHO
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![BU of 6who by Molmil](/molmil-images/mine/6who) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHN
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![BU of 6whn by Molmil](/molmil-images/mine/6whn) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, Histone deacetylase 2, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHQ
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![BU of 6whq by Molmil](/molmil-images/mine/6whq) | Histone deacetylases complex with peptide macrocycles | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Histone deacetylase 2, SODIUM ION, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WHZ
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![BU of 6whz by Molmil](/molmil-images/mine/6whz) | Histone deacetylases complex with peptide macrocycles | Descriptor: | Histone deacetylase 2, SODIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Bera, A.K, Hosseinzadeh, P, Watson, P, Baker, D. | Deposit date: | 2020-04-08 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Anchor extension: a structure-guided approach to design cyclic peptides targeting enzyme active sites. Nat Commun, 12, 2021
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6WM8
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![BU of 6wm8 by Molmil](/molmil-images/mine/6wm8) | |