7WJV
 
 | | Crystal structure of human liver FBPase complexed with an covalent inhibitor | | Descriptor: | 1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, ADENOSINE MONOPHOSPHATE, Fructose-1,6-bisphosphatase 1, ... | | Authors: | Cao, H, Huang, Y, Ren, Y, Wan, J. | | Deposit date: | 2022-01-08 | | Release date: | 2022-07-13 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.724 Å) | | Cite: | N -Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction.
J.Med.Chem., 65, 2022
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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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5M25
 | | Modulation of MLL1 Methyltransferase Activity | | Descriptor: | (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-~{N}-[(2~{S})-1-[[4-[(~{E})-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methylamino]-1-oxidanylidene-propan-2-yl]pentanamide, 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 (2.43 Å) | | Cite: | Controlled inhibition of methyltransferases using photoswitchable peptidomimetics: towards an epigenetic regulation of leukemia.
Chem Sci, 8, 2017
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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: | 2024-11-06 | | 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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6O3X
 | | Crystal structure of yeast Nrd1 CID in complex with Sen1 NIM2 | | Descriptor: | CHLORIDE ION, Helicase SEN1, Protein NRD1 | | Authors: | Zhang, Y, Tong, L. | | Deposit date: | 2019-02-27 | | Release date: | 2019-06-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.994 Å) | | Cite: | Identification of Three Sequence Motifs in the Transcription Termination Factor Sen1 that Mediate Direct Interactions with Nrd1.
Structure, 27, 2019
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6O3W
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3L3H
 | | X-ray crystal structure of the F6A mutant of influenza A acid polymerase epitope PA224 bound to murine H2-Db MHC | | Descriptor: | 10-mer peptide from Polymerase acidic protein, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ... | | Authors: | Welland, A, Clements, C.S, Dunstone, M.A, Rossjohn, J. | | Deposit date: | 2009-12-17 | | Release date: | 2010-03-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Constraints within major histocompatibility complex class I restricted peptides: presentation and consequences for T-cell recognition
Proc.Natl.Acad.Sci.USA, 107, 2010
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8Y1U
 | | Crystal structure of ASB7-Elongin B/C bound to the LZTS1-degron | | Descriptor: | Ankyrin repeat and SOCS box protein 7, Elongin-B, Elongin-C, ... | | Authors: | Dong, C, Yan, X, Zhou, M. | | Deposit date: | 2024-01-25 | | Release date: | 2024-12-04 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Molecular insights into degron recognition by CRL5 ASB7 ubiquitin ligase.
Nat Commun, 15, 2024
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5TUV
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2HHL
 | | Crystal structure of the human small CTD phosphatase 3 isoform 1 | | Descriptor: | 12-TUNGSTOPHOSPHATE, CTD small phosphatase-like protein | | Authors: | Malashkevich, V.N, Toro, R, Ramagopal, U, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-06-28 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
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6MBJ
 | | SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, P21 Crystal Form | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin Peptide, ... | | Authors: | Horton, J.R, Dai, S, Cheng, X. | | Deposit date: | 2018-08-30 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | SETD3 is an actin histidine methyltransferase that prevents primary dystocia.
Nature, 565, 2019
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6MBK
 | | SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, First P212121 Crystal Form | | Descriptor: | 1,2-ETHANEDIOL, Actin peptide, GLYCEROL, ... | | Authors: | Horton, J.R, Dai, S, Cheng, X. | | Deposit date: | 2018-08-30 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | SETD3 is an actin histidine methyltransferase that prevents primary dystocia.
Nature, 565, 2019
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6MBL
 | | SETD3, a Histidine Methyltransferase, in Complex with an Actin Peptide and SAH, Second P212121 Crystal Form | | Descriptor: | 1,2-ETHANEDIOL, Actin Peptide, Histone-lysine N-methyltransferase setd3, ... | | Authors: | Horton, J.R, Dai, S, Cheng, X. | | Deposit date: | 2018-08-30 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.197 Å) | | Cite: | SETD3 is an actin histidine methyltransferase that prevents primary dystocia.
Nature, 565, 2019
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4F7T
 | | Crystal Structure of HLA-A*2402 Complexed with a Newly Identified Peptide from 2009 H1N1 PB1 (498-505) | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | | Authors: | Liu, J, Zhang, S, Tan, S, Yi, Y, Wu, B, Zhu, F, Wang, H, Qi, J, Gao, G.F. | | Deposit date: | 2012-05-16 | | Release date: | 2012-10-10 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Cross-Allele Cytotoxic T Lymphocyte Responses against 2009 Pandemic H1N1 Influenza A Virus among HLA-A24 and HLA-A3 Supertype-Positive Individuals.
J.Virol., 86, 2012
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1WBO
 | | fragment based p38 inhibitors | | Descriptor: | 2-CHLOROPHENOL, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Cleasby, A, Devine, L, Gill, A, Jhoti, H. | | Deposit date: | 2004-11-04 | | Release date: | 2005-01-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
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7UIM
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8QFC
 | | UFL1 E3 ligase bound 60S ribosome | | Descriptor: | 60S ribosomal protein L10a, CDK5 regulatory subunit-associated protein 3, DDRGK domain-containing protein 1, ... | | Authors: | Makhlouf, L, Zeqiraj, E, Kulathu, Y. | | Deposit date: | 2023-09-04 | | Release date: | 2024-02-21 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The UFM1 E3 ligase recognizes and releases 60S ribosomes from ER translocons.
Nature, 627, 2024
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6NJQ
 | | Structure of TBP-Hoogsteen containing DNA complex | | Descriptor: | DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*CP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*GP*TP*TP*TP*AP*TP*AP*GP*C)-3'), TATA-box-binding protein 1 | | Authors: | Schumacher, M.A, Stelling, A. | | Deposit date: | 2019-01-04 | | Release date: | 2019-10-30 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Infrared Spectroscopic Observation of a G-C+Hoogsteen Base Pair in the DNA:TATA-Box Binding Protein Complex Under Solution Conditions.
Angew.Chem.Int.Ed.Engl., 58, 2019
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8T2T
 | | Structure of a group II intron ribonucleoprotein in the post-ligation (post-2F) state | | Descriptor: | AMMONIUM ION, Group II intron reverse transcriptase/maturase, MAGNESIUM ION, ... | | Authors: | Xu, L, Liu, T, Chung, K, Pyle, A.M. | | Deposit date: | 2023-06-06 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-03 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insights into intron catalysis and dynamics during splicing.
Nature, 624, 2023
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7Z6I
 | | Crystal structure of p38alpha C162S in complex with SB20358 and CAS 2094667-81-7 (behind catalytic site; Y35 in), P 21 21 21 | | Descriptor: | 4-[4-(4-fluorophenyl)-2-[4-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]-1~{H}-imidazol-5-yl]pyridine, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | | Deposit date: | 2022-03-11 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
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7Z9T
 | | Crystal structure of p38alpha C162S in complex with ATPgS and CAS 2094667-81-7 (in catalytic site, Y35 out), P 1 21 1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide | | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | | Deposit date: | 2022-03-21 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
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7Z37
 | | Structure of the RAF1-HSP90-CDC37 complex (RHC-II) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, Hsp90 co-chaperone Cdc37, ... | | Authors: | Mesa, P, Garcia-Alonso, S, Barbacid, M, Montoya, G. | | Deposit date: | 2022-03-01 | | Release date: | 2022-09-14 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.67 Å) | | Cite: | Structure of the RAF1-HSP90-CDC37 complex reveals the basis of RAF1 regulation.
Mol.Cell, 82, 2022
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1W7H
 | | p38 Kinase crystal structure in complex with small molecule inhibitor | | Descriptor: | 3-(BENZYLOXY)PYRIDIN-2-AMINE, MITOGEN-ACTIVATED PROTEIN KINASE 14 | | Authors: | Jhoti, H, Gill, A, Cleasby, A, Devine, L. | | Deposit date: | 2004-09-02 | | Release date: | 2005-02-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.214 Å) | | Cite: | Fragment-Based Lead Discovery Using X-Ray Crystallography
J.Med.Chem., 48, 2005
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3GCP
 | | Human P38 MAP Kinase in Complex with SB203580 | | Descriptor: | 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | | Deposit date: | 2009-02-22 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
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3GCV
 | | Human P38 MAP Kinase in Complex with RL62 | | Descriptor: | 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2009-02-22 | | Release date: | 2009-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Development of a fluorescent-tagged kinase assay system for the detection and characterization of allosteric kinase inhibitors.
J.Am.Chem.Soc., 131, 2009
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