5EWV
 
 | | Crystal structure of the human BRPF1 bromodomain in complex with SEED20 | | Descriptor: | 1,5-dimethyl-[1,2,4]triazolo[4,3-a]quinoline, NITRATE ION, Peregrin | | Authors: | Zhu, J, Wiedmer, L, Caflisch, A. | | Deposit date: | 2015-11-21 | | Release date: | 2016-11-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Crystal structure of the human BRPF1 bromodomain in complex with SEED20
To Be Published
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3VQ8
 | | HIV-1 IN core domain in complex with (3R)-3,4-dihydro-2H-chromen-3-ylmethanol | | Descriptor: | (3R)-3,4-dihydro-2H-chromen-3-ylmethanol, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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3VQ7
 | | HIV-1 IN core domain in complex with 4-(1H-pyrrol-1-yl)aniline | | Descriptor: | 4-(1H-pyrrol-1-yl)aniline, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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2K95
 | | Solution structure of the wild-type P2B-P3 pseudoknot of human telomerase RNA | | Descriptor: | Telomerase RNA P2b-P3 pseudoknot | | Authors: | Kim, N.-K, Zhang, Q, Zhou, J, Theimer, C.A, Peterson, R.D, Feigon, J. | | Deposit date: | 2008-09-29 | | Release date: | 2008-11-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Dynamics of the Wild-type Pseudoknot of Human Telomerase RNA.
J.Mol.Biol., 384, 2008
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8SZK
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8CW4
 | | CryoEM structure of the N-pilus from Escherichia coli | | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, Conjugal transfer protein TraM | | Authors: | Bui, K.H, Black, C.S. | | Deposit date: | 2022-05-18 | | Release date: | 2023-02-01 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structure of the Agrobacterium tumefaciens T-pilus reveals the importance of positive charges in the lumen.
Structure, 31, 2023
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8CUE
 | | CryoEM structure of the T-pilus from Agrobacterium tumefaciens | | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Protein virB2 | | Authors: | Bui, K.H, Black, C.S. | | Deposit date: | 2022-05-17 | | Release date: | 2023-02-01 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Cryo-EM structure of the Agrobacterium tumefaciens T-pilus reveals the importance of positive charges in the lumen.
Structure, 31, 2023
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3VQA
 | | HIV-1 IN core domain in complex with 1-benzothiophen-6-amine 1,1-dioxide | | Descriptor: | 1-benzothiophen-6-amine 1,1-dioxide, CADMIUM ION, POL polyprotein, ... | | Authors: | Wielens, J, Chalmers, D.K, Parker, M.W, Scanlon, M.J. | | Deposit date: | 2012-03-20 | | Release date: | 2013-01-30 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
J Biomol Screen, 18, 2013
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5F8P
 | | A Novel Inhibitor of the Obesity-Related Protein FTO | | Descriptor: | 2-OXOGLUTARIC ACID, 4-chloranyl-6-[(2~{S})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{H}-chromen-2-yl]benzene-1,3-diol, Alpha-ketoglutarate-dependent dioxygenase FTO, ... | | Authors: | Chai, J, Zhou, B, Liu, W, Han, Z. | | Deposit date: | 2015-12-09 | | Release date: | 2016-12-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of FTO-CHTB
To Be Published
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2K96
 | | Solution structure of the RDC-refined P2B-P3 pseudoknot from human telomerase RNA (delta U177) | | Descriptor: | TELOMERASE RNA P2B-P3 PSEUDOKNOT | | Authors: | Kim, N.-K, Zhang, Q, Zhou, J, Theimer, C.A, Peterson, R.D, Feigon, J. | | Deposit date: | 2008-09-29 | | Release date: | 2008-11-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure and Dynamics of the Wild-type Pseudoknot of Human Telomerase RNA.
J.Mol.Biol., 384, 2008
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8TCK
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8TCL
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8TCJ
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8TCM
 | | Crystal Structure of modified HIV reverse transcriptase p51 domain (FPC1) with picric acid and Xanthene-1,3,6,8-tetrol bound | | Descriptor: | 9H-xanthene-1,3,6,8-tetrol, PICRIC ACID, p51 subunit | | Authors: | Pedersen, L.C, London, R.E. | | Deposit date: | 2023-07-02 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal Structure of modified HIV reverse transcriptase p51 domain (FPC1) with picric acid and xanthene bound
To Be Published
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2KUR
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2KUV
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5FPY
 | | Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 5-bromo-1-methyl-1H-indole-2-carboxylic acid (AT21457) in an alternate binding site. | | Descriptor: | 5-bromo-1-methyl-1H-indole-2-carboxylic acid, SERINE PROTEASE NS3 | | Authors: | Davies, T.G, Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M. | | Deposit date: | 2015-12-03 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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5FPD
 | | Structure of heat shock-related 70kDA protein 2 with small-molecule ligand pyrazine-2-carboxamide (AT513) in an alternate binding site. | | Descriptor: | HEAT SHOCK-RELATED 70KDA PROTEIN 2, PYRAZINE-2-CARBOXAMIDE | | Authors: | Jhoti, H, Ludlow, R.F, Patel, S, Saini, H.K, Tickle, I.J, Verdonk, M. | | Deposit date: | 2015-11-28 | | Release date: | 2015-12-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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6HQ1
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6I9N
 | | JmjC domain-containing protein 5 (JMJD5) in complex with Mn and L-2-hydroxyglutarate | | Descriptor: | (2S)-2-HYDROXYPENTANEDIOIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | | Deposit date: | 2018-11-24 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.361 Å) | | Cite: | Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
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2J7O
 | | STRUCTURE OF THE RNAI POLYMERASE FROM NEUROSPORA CRASSA | | Descriptor: | MAGNESIUM ION, RNA DEPENDENT RNA POLYMERASE | | Authors: | Salgado, P.S, Koivunen, M.R.L, Makeyev, E.V, Bamford, D.H, Stuart, D.I, Grimes, J.M. | | Deposit date: | 2006-10-13 | | Release date: | 2006-12-13 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | The Structure of an Rnai Polymerase Links RNA Silencing and Transcription.
Plos Biol., 4, 2006
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6I3Y
 | | Crystal structure of the human mitochondrial PRELID1K58V-TRIAP1 complex with PS | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine, PRELI domain-containing protein 1, ... | | Authors: | Miliara, X, Berry, J.-L, Morgan, R.M.L, Matthews, S.J. | | Deposit date: | 2018-11-08 | | Release date: | 2019-03-20 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Structural determinants of lipid specificity within Ups/PRELI lipid transfer proteins.
Nat Commun, 10, 2019
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5FPT
 | | Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 2-(1-methyl-1H-indol-3-yl)acetic acid (AT3437) in an alternate binding site. | | Descriptor: | (1-methyl-1H-indol-3-yl)acetic acid, HEPATITIS C VIRUS FULL-LENGTH NS3 COMPLEX | | Authors: | Jhoti, H, Ludlow, R.F, Saini, H.K, Tickle, I.J, Verdonk, M, Pathuri, P, Williams, P.A. | | Deposit date: | 2015-12-02 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.72 Å) | | Cite: | Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
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3FL2
 | | Crystal structure of the ring domain of the E3 ubiquitin-protein ligase UHRF1 | | Descriptor: | E3 ubiquitin-protein ligase UHRF1, ZINC ION | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-12-18 | | Release date: | 2009-01-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structure of the Ring Domain of the E3 Ubiquitin-Protein Ligase Uhrf1
To be Published
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6I9M
 | | JmjC domain-containing protein 5 (JMJD5) in complex with Mn and R-2-hydroxyglutarate | | Descriptor: | (2R)-2-hydroxypentanedioic acid, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ... | | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | | Deposit date: | 2018-11-23 | | Release date: | 2019-12-04 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
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