8B9D
 
 | | Human replisome bound by Pol Alpha | | Descriptor: | Cell division control protein 45 homolog, Claspin, DNA Molecule, ... | | Authors: | Jones, M.L, Yeeles, J.T.P. | | Deposit date: | 2022-10-05 | | Release date: | 2023-08-09 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | How Pol alpha-primase is targeted to replisomes to prime eukaryotic DNA replication.
Mol.Cell, 83, 2023
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4UZH
 | | SAR156497 an exquisitely selective inhibitor of Aurora kinases | | Descriptor: | (4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one, AURORA 2 KINASE DOMAIN | | Authors: | Pouzieux, S, Maignan, S, Crenne, J.Y. | | Deposit date: | 2014-09-05 | | Release date: | 2014-11-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
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6O5F
 | | Crystal structure of DEAD-box RNA helicase DDX3X at pre-unwound state | | Descriptor: | ATP-dependent RNA helicase DDX3X, CHLORIDE ION, RNA (5'-R(P*CP*AP*AP*GP*GP*UP*CP*AP*UP*UP*CP*GP*CP*AP*AP*GP*AP*GP*UP*GP*GP*CP*C)-3') | | Authors: | Song, H, Ji, X. | | Deposit date: | 2019-03-02 | | Release date: | 2019-07-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.504 Å) | | Cite: | The mechanism of RNA duplex recognition and unwinding by DEAD-box helicase DDX3X.
Nat Commun, 10, 2019
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4WIV
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a novel inhibitor UMB32 (N-TERT-BUTYL-2-[4-(3,5-DIMETHYL-1,2-OXAZOL-4-YL) PHENYL]IMIDAZO[1,2-A]PYRAZIN-3-AMINE) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Xu, X, Blacklow, S. | | Deposit date: | 2014-09-26 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Biased multicomponent reactions to develop novel bromodomain inhibitors.
J.Med.Chem., 57, 2014
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8BWF
 | | PTBP1 RRM1 bound to an allosteric inhibitor | | Descriptor: | AMINO GROUP, GLYCEROL, Ligand, ... | | Authors: | Schmeing, S, Vetter, I, t Hart, P, Gasper, R. | | Deposit date: | 2022-12-06 | | Release date: | 2023-10-11 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Rationally designed stapled peptides allosterically inhibit PTBP1-RNA-binding.
Chem Sci, 14, 2023
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6OI0
 | | Crystal structure of human WDR5 in complex with L-arginine | | Descriptor: | ARGININE, GLYCEROL, SULFATE ION, ... | | Authors: | Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D. | | Deposit date: | 2019-04-08 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020
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6OJU
 | | Crystal structure of human thymidylate synthase Delta (7-29) in complex with dUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-D-glutamic acid | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, N-{4-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}-D-glutamic acid, Thymidylate synthase,Thymidylate synthase | | Authors: | Czyzyk, D.J, Anderson, K.S, Valhondo, M, Jorgensen, W.L. | | Deposit date: | 2019-04-12 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.884 Å) | | Cite: | Understanding the structural basis of species selective, stereospecific inhibition for Cryptosporidium and human thymidylate synthase.
Febs Lett., 593, 2019
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8BGF
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6OJV
 | | Crystal structure of human thymidylate synthase delta(7-29) in complex with dUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, N-{4-[(2-amino-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzoyl}-L-glutamic acid, Thymidylate synthase,Thymidylate synthase | | Authors: | Czyzyk, D.J, Anderson, K.S, Valhondo, M, Jorgensen, W.L. | | Deposit date: | 2019-04-12 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.593 Å) | | Cite: | Understanding the structural basis of species selective, stereospecific inhibition for Cryptosporidium and human thymidylate synthase.
Febs Lett., 593, 2019
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4WHW
 | | Direct photocapture of bromodomains using tropolone chemical probes | | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one, Bromodomain-containing protein 4 | | Authors: | Hett, E.C, Piatnitski Chekler, E.L, Basak, A, Bonin, P.D, Denny, R.A, Flick, A.C, Geoghegan, K.F, Liu, S, Pletcher, M.T, Robinson, R.P, Sahasrabudhe, P, Salter, S, Stock, I.A, Jones, L.H. | | Deposit date: | 2014-09-23 | | Release date: | 2015-10-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.345 Å) | | Cite: | Direct photocapture of bromodomains using tropolone chemical probes
To Be Published
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8BTT
 | | Structure of human RTCB | | Descriptor: | MANGANESE (II) ION, RNA-splicing ligase RtcB homolog | | Authors: | Kopp, J, Gerber, J.L, Peschek, J. | | Deposit date: | 2022-11-30 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural and mechanistic insights into activation of the human RNA ligase RTCB by Archease.
Nat Commun, 15, 2024
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8B98
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8B96
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8BOP
 | | LSD1-CoREST in complex with AW4, long soaking | | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | Authors: | Caroli, J, Mattevi, A. | | Deposit date: | 2022-11-15 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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8BOX
 | | LSD1-CoREST in complex with AW4 and SNAG peptide | | Descriptor: | Lysine-specific histone demethylase 1A, REST corepressor 1, Zinc finger protein SNAI1, ... | | Authors: | Caroli, J, Mattevi, A. | | Deposit date: | 2022-11-15 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Distal drug resistance mutations promote covalent inhibitor-adduct Grob fragmentation in LSD1
to be published
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8C9J
 | | Crystal structure of human NQO1 by serial femtosecond crystallography | | Descriptor: | ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Martin-Garcia, J.M, Grieco, A, Ruiz-Fresneda, M.A, Pacheco-Garcia, J.L, Pey, A, Botha, S, Ros, A. | | Deposit date: | 2023-01-23 | | Release date: | 2023-06-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Modular droplet injector for sample conservation providing new structural insight for the conformational heterogeneity in the disease-associated NQO1 enzyme.
Lab Chip, 23, 2023
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4WVF
 | | Crystal structure of KPT276 in complex with CRM1-Ran-RanBP1 | | Descriptor: | (2E)-3-{3-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-1-yl}-1-(3,3-difluoroazetidin-1-yl)prop-2-en-1-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Sun, Q, Chook, Y. | | Deposit date: | 2014-11-05 | | Release date: | 2015-07-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Nuclear export inhibitors avert progression in preclinical models of inflammatory demyelination.
Nat.Neurosci., 18, 2015
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6OEB
 | | Crystal structure of HMCES SRAP domain in complex with 3' overhang DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ... | | Authors: | Halabelian, L, Ravichandran, M, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-03-27 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
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6O5K
 | | Murine TRIM28 Bbox1 domain | | Descriptor: | Transcription intermediary factor 1-beta, ZINC ION | | Authors: | Sun, Y, Keown, J.R, Goldstone, D.C. | | Deposit date: | 2019-03-03 | | Release date: | 2019-06-19 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Dissection of Oligomerization by the TRIM28 Tripartite Motif and the Interaction with Members of the Krab-ZFP Family.
J.Mol.Biol., 431, 2019
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6OJQ
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4WPH
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8CKF
 | | Crystal Structure of the first bromodomain of human BRD4 L94C variant in complex with racemic 3,5-dimethylisoxazol ligand | | Descriptor: | 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{R})-oxidanyl(pyridin-3-yl)methyl]phenol, 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(~{S})-oxidanyl(pyridin-3-yl)methyl]phenol, Bromodomain-containing protein 4 | | Authors: | Thomas, A.M, McDonough, M.A, Schiedel, M, Conway, S.J. | | Deposit date: | 2023-02-15 | | Release date: | 2023-08-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Mutate and Conjugate: A Method to Enable Rapid In-Cell Target Validation.
Acs Chem.Biol., 18, 2023
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4WNI
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4WPI
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6OI1
 | | Crystal structure of human WDR5 in complex with monomethyl L-arginine | | Descriptor: | (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, GLYCEROL, SULFATE ION, ... | | Authors: | Lorton, B.M, Harijan, R.K, Burgos, E, Bonanno, J.B, Almo, S.C, Shechter, D. | | Deposit date: | 2019-04-08 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | A Binary Arginine Methylation Switch on Histone H3 Arginine 2 Regulates Its Interaction with WDR5.
Biochemistry, 59, 2020
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