4IRY
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1M3H
| Crystal Structure of Hogg1 D268E Mutant with Product Oligonucleotide | Descriptor: | 5'-D(P*GP*CP*GP*TP*CP*CP*AP*(DDX))-3', 5'-D(P*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*TP*AP*CP*C)-3', ... | Authors: | Chung, S.J, Verdine, G.L. | Deposit date: | 2002-06-27 | Release date: | 2004-04-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structures of End Products Resulting from Lesion Processing by a DNA Glycosylase/Lyase Chem.Biol., 11, 2004
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5EX0
| Crystal structure of human SMYD3 in complex with a MAP3K2 peptide | Descriptor: | ACETIC ACID, Histone-lysine N-methyltransferase SMYD3, MAP3K2 peptide, ... | Authors: | Fu, W, Liu, N, Qiao, Q, Wang, M, Min, J, Zhu, B, Xu, R.M, Yang, N. | Deposit date: | 2015-11-23 | Release date: | 2016-03-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis for Substrate Preference of SMYD3, a SET Domain-containing Protein Lysine Methyltransferase J.Biol.Chem., 291, 2016
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8GUJ
| Bre1-nucleosome complex (Model II) | Descriptor: | DNA (147-mer), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ... | Authors: | Onishi, S, Sato, K, Hamada, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T. | Deposit date: | 2022-09-12 | Release date: | 2023-09-20 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure of the human Bre1 complex bound to the nucleosome. Nat Commun, 15, 2024
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8GUI
| Bre1-nucleosome complex (Model I) | Descriptor: | DNA (147-mer), E3 ubiquitin-protein ligase BRE1A, E3 ubiquitin-protein ligase BRE1B, ... | Authors: | Onishi, S, Hamada, K, Sato, K, Nishizawa, T, Nureki, O, Ogata, K, Sengoku, T. | Deposit date: | 2022-09-12 | Release date: | 2023-09-20 | Last modified: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.81 Å) | Cite: | Structure of the human Bre1 complex bound to the nucleosome. Nat Commun, 15, 2024
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5EX3
| Crystal structure of human SMYD3 in complex with a VEGFR1 peptide | Descriptor: | ACETIC ACID, Histone-lysine N-methyltransferase SMYD3, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Qiao, Q, Fu, W, Liu, N, Wang, M, Min, J, Zhu, B, Xu, R.M, Yang, N. | Deposit date: | 2015-11-23 | Release date: | 2016-03-09 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.408 Å) | Cite: | Structural Basis for Substrate Preference of SMYD3, a SET Domain-containing Protein Lysine Methyltransferase J.Biol.Chem., 291, 2016
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3U8W
| Crystal Structure of p38a Mitogen-Activated Protein Kinase in Complex with a Triazolopyridazinone inhibitor | Descriptor: | 3-[3-(2-chloro-6-fluorophenyl)-5-ethyl-6-oxo-5,6-dihydro[1,2,4]triazolo[4,3-b]pyridazin-7-yl]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14 | Authors: | Mohr, C, Jordan, S. | Deposit date: | 2011-10-17 | Release date: | 2012-08-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Identification of triazolopyridazinones as potent p38alpha inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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3UVQ
| Human p38 MAP Kinase in Complex with a Dibenzosuberone Derivative | Descriptor: | Mitogen-activated protein kinase 14, N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide, octyl beta-D-glucopyranoside | Authors: | Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. | Deposit date: | 2011-11-30 | Release date: | 2012-12-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity. J.Med.Chem., 56, 2013
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8EI3
| Crystal structure of VHL in complex with H313, a Helicon Polypeptide | Descriptor: | Elongin-B, Elongin-C, H313, ... | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | Deposit date: | 2022-09-14 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides. Nat Commun, 14, 2023
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7EGM
| The SRM module of SWI/SNF-nucleosome complex | Descriptor: | SWI/SNF chromatin-remodeling complex subunit SNF5, SWI/SNF chromatin-remodeling complex subunit SWI1, SWI/SNF complex subunit SWI3, ... | Authors: | Chen, Z.C, Chen, K.J, He, Z.Y, Ye, Y.P. | Deposit date: | 2021-03-24 | Release date: | 2022-01-12 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of the SWI/SNF complex bound to the nucleosome and insights into the functional modularity. Cell Discov, 7, 2021
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6V9H
| Ankyrin repeat and SOCS-box protein 9 (ASB9), ElonginB (ELOB), and ElonginC (ELOC) bound to its substrate Brain-type Creatine Kinase (CKB) | Descriptor: | Ankyrin repeat and SOCS box protein 9, Creatine kinase B-type, Elongin-B, ... | Authors: | Komives, E.A, Lumpkin, R.J, Baker, R.W, Leschziner, A.E. | Deposit date: | 2019-12-13 | Release date: | 2020-04-29 | Last modified: | 2020-11-11 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structure and dynamics of the ASB9 CUL-RING E3 Ligase. Nat Commun, 11, 2020
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6C5X
| Crystal Structure of SOCS1 in complex with ElonginB and ElonginC | Descriptor: | Elongin-B, Elongin-C, GP130 peptide fragment, ... | Authors: | Kershaw, N.J, Laktyushin, A, Babon, J.J. | Deposit date: | 2018-01-17 | Release date: | 2018-05-02 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.105 Å) | Cite: | The molecular basis of JAK/STAT inhibition by SOCS1. Nat Commun, 9, 2018
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3IS9
| Crystal structure of the HIV-1 reverse transcriptase (RT) in complex with the alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate). | Descriptor: | Reverse transcriptase, Reverse transcriptase/ribonuclease H, dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate) | Authors: | Ho, W.C, Bauman, J.D, Das, K, Arnold, E. | Deposit date: | 2009-08-25 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystallographic study of a novel subnanomolar inhibitor provides insight on the binding interactions of alkenyldiarylmethanes with human immunodeficiency virus-1 reverse transcriptase. J.Med.Chem., 52, 2009
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7QO4
| 26S proteasome WT-Ubp6-UbVS complex in the si state (ATPases, Rpn1, Ubp6, and UbVS) | Descriptor: | 26S proteasome regulatory subunit RPN1, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, C, Joshi, T, Rudack, T, Sakata, E, Finley, D. | Deposit date: | 2021-12-23 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Allosteric control of Ubp6 and the proteasome via a bidirectional switch. Nat Commun, 13, 2022
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1ZZL
| Crystal structure of P38 with triazolopyridine | Descriptor: | 6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE, Mitogen-activated protein kinase 14 | Authors: | McClure, K.F, Han, S. | Deposit date: | 2005-06-14 | Release date: | 2005-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Theoretical and Experimental Design of Atypical Kinase Inhibitors: Application to p38 MAP Kinase. J.Med.Chem., 48, 2005
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3IRX
| Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate. | Descriptor: | (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate, Reverse transcriptase, Reverse transcriptase/ribonuclease H | Authors: | Ho, W.C, Arnold, E. | Deposit date: | 2009-08-24 | Release date: | 2010-04-07 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the
alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor (E)-S-Methyl
5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate. J.Med.Chem., 52, 2009
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1ZYJ
| Human P38 MAP Kinase in Complex with Inhibitor 1a | Descriptor: | 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Karpusas, M, Michelotti, E.L, Springman, E.B. | Deposit date: | 2005-06-10 | Release date: | 2005-11-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes. Bioorg.Med.Chem.Lett., 15, 2005
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1ZZ2
| Two Classes of p38alpha MAP Kinase Inhibitors Having a Common Diphenylether Core but Exhibiting Divergent Binding Modes | Descriptor: | Mitogen-activated protein kinase 14, N-[3-(4-FLUOROPHENOXY)PHENYL]-4-[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-1-SULFONAMIDE, octyl beta-D-glucopyranoside | Authors: | Michelotti, E.L, Moffett, K.K, Springman, E.B, Karpusas, M. | Deposit date: | 2005-06-13 | Release date: | 2005-10-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes. Bioorg.Med.Chem.Lett., 15, 2005
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3UVP
| Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone | Descriptor: | Mitogen-activated protein kinase 14, N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide, octyl beta-D-glucopyranoside | Authors: | Mayer-Wrangowski, S.C, Richters, A, Gruetter, C, Rauh, D. | Deposit date: | 2011-11-30 | Release date: | 2012-11-07 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Targeting the Hinge Glycine Flip and the Activation Loop: Novel Approach to Potent p38 alpha Inhibitors. J.Med.Chem., 55, 2012
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7QPD
| Structure of the human MHC I peptide-loading complex editing module | Descriptor: | Beta-2-microglobulin, Calreticulin, HLA class I histocompatibility antigen, ... | Authors: | Domnick, A, Susac, L, Trowitzsch, S, Thomas, C, Tampe, R. | Deposit date: | 2022-01-03 | Release date: | 2022-07-20 | Last modified: | 2022-08-24 | Method: | ELECTRON MICROSCOPY (3.73 Å) | Cite: | Molecular basis of MHC I quality control in the peptide loading complex. Nat Commun, 13, 2022
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5NHF
| Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-5-(phenylmethyl)-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-21 | Release date: | 2017-04-19 | Last modified: | 2017-05-10 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5NHJ
| Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 5-(2-methoxyethyl)-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydro-1~{H}-pyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-21 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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5NHP
| Human Erk2 with an Erk1/2 inhibitor | Descriptor: | 5-(2-methoxyethyl)-1-methyl-2-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one, Mitogen-activated protein kinase 1, SULFATE ION | Authors: | Debreczeni, J.E, Ward, R.A, Bethel, P, Cook, C, Davies, E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, Hudson, J, James, M, Jones, C.D, Jones, C.R, Lamont, S, Lewis, R, Lindsay, N, Roberts, K, Simpson, I, StGallay, S, Swallow, S, Tonge, M. | Deposit date: | 2017-03-22 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structure-Guided Discovery of Potent and Selective Inhibitors of ERK1/2 from a Modestly Active and Promiscuous Chemical Start Point. J. Med. Chem., 60, 2017
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3UVR
| Human p38 MAP Kinase in Complex with KM064 | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Richters, A, Mayer-Wrangowski, S.C, Gruetter, C, Rauh, D. | Deposit date: | 2011-11-30 | Release date: | 2012-12-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: |
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3KIK
| Sgf11:Sus1 complex | Descriptor: | Protein SUS1, SAGA-associated factor 11 | Authors: | Stewart, M, Ellisdon, A.M. | Deposit date: | 2009-11-02 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for the interaction between yeast Spt-Ada-Gcn5 acetyltransferase (SAGA) complex components Sgf11 and Sus1 J.Biol.Chem., 285, 2010
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