7KSE
 
 | | Crystal structure of Prototype Foamy Virus Protease-Reverse Transcriptase CSH mutant (selenomethionine-labeled) | | Descriptor: | CALCIUM ION, Peptidase A9/Reverse transcriptase/RNase H | | Authors: | Harrison, J.J.E.K, Das, K, Ruiz, F.X, Arnold, E. | | Deposit date: | 2020-11-21 | | Release date: | 2021-08-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal Structure of a Retroviral Polyprotein: Prototype Foamy Virus Protease-Reverse Transcriptase (PR-RT).
Viruses, 13, 2021
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6ZY7
 | | Cryo-EM structure of the entire Human topoisomerase II alpha in State 1 | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ... | | Authors: | Vanden Broeck, A, Lamour, V. | | Deposit date: | 2020-07-30 | | Release date: | 2021-05-26 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.64 Å) | | Cite: | Structural basis for allosteric regulation of Human Topoisomerase II alpha.
Nat Commun, 12, 2021
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6ZY6
 | | Cryo-EM structure of the Human topoisomerase II alpha DNA-binding/cleavage domain in State 2 | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ... | | Authors: | Vanden Broeck, A, Lamour, V. | | Deposit date: | 2020-07-30 | | Release date: | 2021-05-26 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural basis for allosteric regulation of Human Topoisomerase II alpha.
Nat Commun, 12, 2021
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6ZY5
 | | Cryo-EM structure of the Human topoisomerase II alpha DNA-binding/cleavage domain in State 1 | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ... | | Authors: | Vanden Broeck, A, Lamour, V. | | Deposit date: | 2020-07-30 | | Release date: | 2021-05-26 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis for allosteric regulation of Human Topoisomerase II alpha.
Nat Commun, 12, 2021
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6ZY8
 | | Cryo-EM structure of the entire Human topoisomerase II alpha in State 2 | | Descriptor: | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(*CP*GP*CP*GP*CP*AP*TP*CP*GP*TP*CP*AP*TP*CP*CP*TP*C)-3'), DNA (5'-D(*GP*AP*GP*GP*AP*TP*GP*AP*CP*GP*AP*TP*G)-3'), ... | | Authors: | Vanden Broeck, A, Lamour, V. | | Deposit date: | 2020-07-30 | | Release date: | 2021-05-26 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (7.4 Å) | | Cite: | Structural basis for allosteric regulation of Human Topoisomerase II alpha.
Nat Commun, 12, 2021
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7MC6
 | | Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex containing Mg2+ ion | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H. | | Deposit date: | 2021-04-01 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7MC5
 | | Crystal structure of the SARS-CoV-2 ExoN-nsp10 complex | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, L(+)-TARTARIC ACID, ... | | Authors: | Moeller, N.M, Shi, K, Banerjee, S, Yin, L, Aihara, H. | | Deposit date: | 2021-04-01 | | Release date: | 2021-05-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Structure and dynamics of SARS-CoV-2 proofreading exoribonuclease ExoN.
Proc.Natl.Acad.Sci.USA, 119, 2022
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5HRF
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5HRL
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1RYR
 | | REPLICATION OF A CIS-SYN THYMINE DIMER AT ATOMIC RESOLUTION | | Descriptor: | 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*C)-3', 5'-D(*TP*TP*TP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Ling, H, Boudsocq, F, Plosky, B, Woodgate, R, Yang, W. | | Deposit date: | 2003-12-22 | | Release date: | 2004-02-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Replication of a Cis-Syn Thymine Dimer at Atomic Resolution
Nature, 424, 2003
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6DMG
 | | A multiconformer ligand model of EK6 bound to ERK2 | | Descriptor: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, SULFATE ION, ... | | Authors: | Hudson, B.M, van Zundert, G.C.P, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | Deposit date: | 2018-06-05 | | Release date: | 2018-12-19 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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5M23
 | | Modulation of MLL1 Methyltransferase Activity | | Descriptor: | 4-[(~{E})-[4-[[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide, WD repeat-containing protein 5 | | Authors: | Srinivasan, V. | | Deposit date: | 2016-10-11 | | Release date: | 2017-06-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Controlled inhibition of methyltransferases using photoswitchable peptidomimetics: towards an epigenetic regulation of leukemia.
Chem Sci, 8, 2017
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7K0W
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6D6V
 | | CryoEM structure of Tetrahymena telomerase with telomeric DNA at 4.8 Angstrom resolution | | Descriptor: | DNA (5'-D(P*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*GP*TP*TP*GP*GP*GP*G)-3'), RNA (159-MER), Telomerase associated protein p65, ... | | Authors: | Jiang, J, Wang, Y, Susac, L, Chan, H, Basu, R, Zhou, Z.H, Feigon, J. | | Deposit date: | 2018-04-22 | | Release date: | 2018-05-30 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structure of Telomerase with Telomeric DNA.
Cell, 173, 2018
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2JZD
 | | NMR structure of the domain 527-651 of the SARS-CoV nonstructural protein nsp3 | | Descriptor: | Replicase polyprotein 1ab | | Authors: | Chatterjee, A, Johnson, M.A, Serrano, P, Pedrini, B, Joseph, J, Saikatendu, K, Neuman, B, Stevens, R.C, Wilson, I.A, Buchmeier, M.J, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2008-01-04 | | Release date: | 2008-02-05 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance structure shows that the severe acute respiratory syndrome coronavirus-unique domain contains a macrodomain fold.
J.Virol., 83, 2009
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2JZE
 | | NMR structure of the domain 527-651 of the SARS-CoV nonstructural protein nsp3, single conformer closest to the mean coordinates of an ensemble of twenty energy minimized conformers | | Descriptor: | Replicase polyprotein 1ab | | Authors: | Chatterjee, A, Johnson, M.A, Serrano, P, Pedrini, B, Joseph, J, Saikatendu, K, Neuman, B, Stevens, R.C, Wilson, I.A, Buchmeier, M.J, Kuhn, P, Wuthrich, K, Joint Center for Structural Genomics (JCSG) | | Deposit date: | 2008-01-04 | | Release date: | 2008-02-05 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Nuclear magnetic resonance structure shows that the severe acute respiratory syndrome coronavirus-unique domain contains a macrodomain fold.
J.Virol., 83, 2009
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4F0Z
 | | Crystal Structure of Calcineurin in Complex with the Calcineurin-Inhibiting Domain of the African Swine Fever Virus Protein A238L | | Descriptor: | Ankyrin repeat domain-containing protein A238L, CALCIUM ION, Calcineurin subunit B type 1, ... | | Authors: | Grigoriu, S, Peti, W, Page, R. | | Deposit date: | 2012-05-05 | | Release date: | 2013-03-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The molecular mechanism of substrate engagement and immunosuppressant inhibition of calcineurin.
Plos Biol., 11, 2013
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5HRK
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5HRH
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8PT5
 | | ERK2 covelently bound to RU187 cyclohexenone based inhibitor | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Sok, P, Poti, A, Remenyi, A. | | Deposit date: | 2023-07-13 | | Release date: | 2024-07-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
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8PSY
 | | ERK2 covelently bound to RU68 cyclohexenone based inhibitor | | Descriptor: | AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate | | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | | Deposit date: | 2023-07-13 | | Release date: | 2024-07-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
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8PSW
 | | ERK2 covalently bound to RU67 cyclohexenone based inhibitor | | Descriptor: | AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate | | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | | Deposit date: | 2023-07-13 | | Release date: | 2024-07-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
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8PT3
 | | ERK2 covelently bound to RU77 cyclohexenone based inhibitor | | Descriptor: | GLYCEROL, Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Sok, P, Poti, A, Remenyi, A. | | Deposit date: | 2023-07-13 | | Release date: | 2024-07-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
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8PT1
 | | ERK2 covelently bound to RU76 cyclohexenone based inhibitor | | Descriptor: | Mitogen-activated protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ~{O}1-methyl ~{O}3-(phenylmethyl) (1~{S},3~{R})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate | | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | | Deposit date: | 2023-07-13 | | Release date: | 2024-07-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
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8PST
 | | ERK2 covelently bound to RU60 cyclohexenone based inhibitor | | Descriptor: | AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate | | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | | Deposit date: | 2023-07-13 | | Release date: | 2024-07-24 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a precision-guided warhead scaffold.
Nat Commun, 15, 2024
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