1C3P
 
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2TRH
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2TRY
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3DL2
 | | Hexagonal structure of the LDH domain of Human Ubiquitin-conjugating Enzyme E2-like Isoform A | | Descriptor: | PHOSPHATE ION, SODIUM ION, Ubiquitin-conjugating enzyme E2 variant 3 | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Finerty Jr, P.J, Butler-Cole, C, Bountra, C, Wolkstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-06-26 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Investigation Into the L-Lactate Dehydrogenase Domain of Human Ubiquitin-Conjugating Enzyme E2-Like Isoform A.
To be Published
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8FTG
 | | Biophysical and Structural Characterization of an Anti-Caffeine VHH Antibody | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-Caffeine VHH Antibody, CAFFEINE, ... | | Authors: | Horn, J.R, Smith, C.A, Sonneson, G.J, Walter, R. | | Deposit date: | 2023-01-12 | | Release date: | 2023-06-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.13 Å) | | Cite: | Molecular recognition requires dimerization of a VHH antibody.
Mabs, 15, 2023
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8FS2
 | | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907) | | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ... | | Authors: | Zhou, J, Horton, J.R, Cheng, X. | | Deposit date: | 2023-01-09 | | Release date: | 2023-05-10 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase.
Acs Chem.Biol., 18, 2023
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2UU8
 | | X-ray structure of Ni, Ca concanavalin A at Ultra-high resolution (0. 94A) | | Descriptor: | CALCIUM ION, CONCANAVALIN, NICKEL (II) ION | | Authors: | Ahmed, H.U, Blakeley, M.P, Cianci, M, Cruickshank, D.W.J, Hubbard, J.A, Helliwell, J.R. | | Deposit date: | 2007-03-01 | | Release date: | 2007-07-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (0.94 Å) | | Cite: | The Determination of Protonation States in Proteins.
Acta Crystallogr.,Sect.D, 63, 2007
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3MK9
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3DKO
 | | Complex between the kinase domain of human ephrin type-a receptor 7 (epha7) and inhibitor alw-ii-49-7 | | Descriptor: | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine-3-carboxamide, Ephrin type-A receptor 7 | | Authors: | Walker, J.R, Syeda, F, Gray, N, Butler-Cole, C, Bountra, C, Wolkstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-06-25 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinase domain of human ephrin type-a receptor 7 (epha7) in complex with ALW-II-49-7
To be Published
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6V63
 | | SETD3 WT in Complex with an Actin Peptide with His73 Replaced with Glutamine | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Actin, ... | | Authors: | Dai, S, Horton, J.R, Cheng, X. | | Deposit date: | 2019-12-04 | | Release date: | 2020-01-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | An engineered variant of SETD3 methyltransferase alters target specificity from histidine to lysine methylation.
J.Biol.Chem., 295, 2020
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1BZE
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3S24
 | | Crystal structure of human mRNA guanylyltransferase | | Descriptor: | SULFATE ION, mRNA-capping enzyme | | Authors: | Das, K, Chu, C, Thyminski, J.R, Bauman, J.D, Guan, R, Qiu, W, Montelione, G.T, Arnold, E, Shatkin, A.J. | | Deposit date: | 2011-05-16 | | Release date: | 2011-06-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.0137 Å) | | Cite: | Structure of the guanylyltransferase domain of human mRNA capping enzyme.
Proc.Natl.Acad.Sci.USA, 108, 2011
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2VH0
 | | Structure and property based design of factor Xa inhibitors:biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs | | Descriptor: | 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ... | | Authors: | Young, R.J, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chan, C, Charbaut, M, Convery, M.A, Diallo, H, Hortense, E, Irving, W.R, Kelly, H.A, King, N.P, Kleanthous, S, Mason, A.M, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Zhou, P. | | Deposit date: | 2007-11-16 | | Release date: | 2008-11-25 | | Last modified: | 2019-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and property based design of factor Xa inhibitors: biaryl pyrrolidin-2-ones incorporating basic heterocyclic motifs.
Bioorg. Med. Chem. Lett., 18, 2008
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3DB4
 | | Crystal structure of the tandem tudor domains of the E3 ubiquitin-protein ligase UHRF1 | | Descriptor: | E3 ubiquitin-protein ligase UHRF1, SULFATE ION | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Dong, A, Li, Y, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-05-30 | | Release date: | 2008-09-16 | | Last modified: | 2012-04-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Recognition of multivalent histone states associated with heterochromatin by UHRF1 protein.
J.Biol.Chem., 286, 2011
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3MKH
 | | Podospora anserina Nitroalkane Oxidase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, NITROALKANE OXIDASE, ... | | Authors: | Tormos, J.R, Taylor, A.B, Daubner, S.C, Hart, P.J, Fitzpatrick, P.F. | | Deposit date: | 2010-04-14 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | Identification of a hypothetical protein from Podospora anserina as a nitroalkane oxidase.
Biochemistry, 49, 2010
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2UWP
 | | Factor Xa inhibitor complex | | Descriptor: | 2-(5-CHLORO-2-THIENYL)-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}ETHANESULFONAMIDE, CALCIUM ION, COAGULATION FACTOR X, ... | | Authors: | Young, R.J, Brown, D, Burns-Kurtis, C.L, Chan, C, Convery, M.A, Hubbard, J.A, Kelly, H.A, Pateman, A.J, Patikis, A, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Zhou, P, Thorpe, J.H. | | Deposit date: | 2007-03-22 | | Release date: | 2007-05-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Selective and Dual Action Orally Active Inhibitors of Thrombin and Factor Xa.
Bioorg.Med.Chem.Lett., 17, 2007
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7UVB
 | | CRYSTAL STRUCTURE OF CARBONMONOXY HEMOGLOBIN S (LIGANDED SICKLE CELL HEMOGLOBIN) COMPLEXED WITH GBT021601 | | Descriptor: | 2-hydroxy-6-({(3S)-4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl}methoxy)benzaldehyde, FORMYL GROUP, Hemoglobin subunit alpha, ... | | Authors: | Partridge, J.R, Kaya, E, Xu, Q, Li, Z, Strutt, S.C, Cathers, B.E. | | Deposit date: | 2022-04-29 | | Release date: | 2023-04-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | GBT021601 improves red blood cell health and the pathophysiology of sickle cell disease in a murine model.
Br.J.Haematol., 202, 2023
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3EZV
 | | CDK-2 with indazole inhibitor 9 bound at its active site | | Descriptor: | 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2 | | Authors: | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | | Deposit date: | 2008-10-23 | | Release date: | 2009-02-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
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2W6O
 | | Crystal structure of Biotin carboxylase from E. coli in complex with 4-Amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment | | Descriptor: | 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one, BIOTIN CARBOXYLASE, CHLORIDE ION | | Authors: | Mochalkin, I, Miller, J.R. | | Deposit date: | 2008-12-18 | | Release date: | 2009-05-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Discovery of Antibacterial Biotin Carboxylase Inhibitors by Virtual Screening and Fragment-Based Approaches.
Acs Chem.Biol., 4, 2009
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2W5Z
 | | Ternary Complex of the Mixed Lineage Leukaemia (MLL1) SET Domain with the cofactor product S-Adenosylhomocysteine and histone peptide. | | Descriptor: | GLYCEROL, HISTONE PEPTIDE, HISTONE-LYSINE N-METHYLTRANSFERASE HRX, ... | | Authors: | Southall, S.M, Wong, P.S, Odho, Z, Roe, S.M, Wilson, J.R. | | Deposit date: | 2008-12-15 | | Release date: | 2009-02-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for the Requirement of Additional Factors for Mll1 Set Domain Activity and Recognition of Epigenetic Marks.
Mol.Cell, 33, 2009
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2W9S
 | | Staphylococcus aureus S1:DHFR in complex with trimethoprim | | Descriptor: | DIHYDROFOLATE REDUCTASE TYPE 1 FROM TN4003, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Soutter, H.H, Miller, J.R. | | Deposit date: | 2009-01-28 | | Release date: | 2009-03-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Comparison of Chromosomal and Exogenous Dihydrofolate Reductase from Staphylococcus Aureus in Complex with the Potent Inhibitor Trimethoprim.
Proteins, 76, 2009
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3MO0
 | | Human G9a-like (GLP, also known as EHMT1) in complex with inhibitor E11 | | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase, H3 lysine-9 specific 5, ... | | Authors: | Chang, Y, Horton, J.R, Cheng, X. | | Deposit date: | 2010-04-22 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Adding a lysine mimic in the design of potent inhibitors of histone lysine methyltransferases.
J.Mol.Biol., 400, 2010
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2W1M
 | | THE INTERDEPENDENCE OF WAVELENGTH, REDUNDANCY AND DOSE IN SULFUR SAD EXPERIMENTS: 2.070 A WAVELENGTH with 2theta 30 degrees data | | Descriptor: | CHLORIDE ION, LYSOZYME C, SODIUM ION | | Authors: | Cianci, M, Helliwell, J.R, Suzuki, A. | | Deposit date: | 2008-10-17 | | Release date: | 2008-11-04 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The Interdependence of Wavelength, Redundancy and Dose in Sulfur Sad Experiments.
Acta Crystallogr.,Sect.D, 64, 2008
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6VVG
 | | Structure of the Cydia pomonella Granulovirus kinase, PK-1 | | Descriptor: | ADENOSINE MONOPHOSPHATE, Arginine kinase | | Authors: | Oliver, M.R, Horne, C.R, Keown, J.R, Murphy, J.M, Metcalf, P. | | Deposit date: | 2020-02-17 | | Release date: | 2021-02-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Granulovirus PK-1 kinase activity relies on a side-to-side dimerization mode centered on the regulatory alpha C helix.
Nat Commun, 12, 2021
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6VWV
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