3DA2
 
 | | X-ray structure of human carbonic anhydrase 13 in complex with inhibitor | | Descriptor: | CHLORIDE ION, Carbonic anhydrase 13, N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide, ... | | Authors: | Pilka, E.S, Picaud, S.S, Yue, W.W, King, O.N.F, Bray, J.E, Filippakopoulos, P, Roos, A.K, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Wikstrom, M, Edwards, A.M, Bountra, C, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-05-28 | | Release date: | 2008-07-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | X-ray structure of human carbonic anhydrase 13 in complex with inhibitor.
To be Published
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3DGG
 | | Crystal structure of FabOX108 | | Descriptor: | FabOX108 Heavy Chain Fragment, FabOX108 Light Chain Fragment, MAGNESIUM ION | | Authors: | Ren, J, Nettleship, J.E, Owens, R.J, Oxford Protein Production Facility (OPPF) | | Deposit date: | 2008-06-13 | | Release date: | 2008-08-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A pipeline for the production of antibody fragments for structural studies using transient expression in HEK 293T cells.
Protein Expr.Purif., 62, 2008
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6GQF
 | | The structure of mouse AsterA (GramD1a) with 25-hydroxy cholesterol | | Descriptor: | 25-HYDROXYCHOLESTEROL, GLYCEROL, GRAM domain-containing protein 1A | | Authors: | Fairall, L, Gurnett, J.E, Vashi, D, Sandhu, J, Tontonoz, P, Schwabe, J.W.R. | | Deposit date: | 2018-06-07 | | Release date: | 2018-09-26 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Aster Proteins Facilitate Nonvesicular Plasma Membrane to ER Cholesterol Transport in Mammalian Cells.
Cell, 175, 2018
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3LCP
 | | Crystal structure of the carbohydrate recognition domain of LMAN1 in complex with MCFD2 | | Descriptor: | CALCIUM ION, Multiple coagulation factor deficiency protein 2, Protein ERGIC-53 | | Authors: | Wigren, E, Bourhis, J.M, Kursula, I, Guy, J.E, Lindqvist, Y. | | Deposit date: | 2010-01-11 | | Release date: | 2010-01-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of the LMAN1-CRD/MCFD2 transport receptor complex provides insight into combined deficiency of factor V and factor VIII.
Febs Lett., 584, 2010
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3DIF
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3DOP
 | | Crystal structure of 5beta-reductase (AKR1D1) in complex with NADP+ and 5beta-dihydrotestosterone, Resolution 2.00A | | Descriptor: | 3-oxo-5-beta-steroid 4-dehydrogenase, 5-beta-DIHYDROTESTOSTERONE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Di Costanzo, L, Drury, J.E, Penning, T.M, Christianson, D.W. | | Deposit date: | 2008-07-05 | | Release date: | 2008-10-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and catalytic mechanism of human steroid 5beta-reductase (AKR1D1)
Mol.Cell.Endocrinol., 301, 2009
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3CR1
 | | crystal structure of a minimal, mutant, all-RNA hairpin ribozyme (A38C, A-1OMA) grown from MgCl2 | | Descriptor: | MAGNESIUM ION, RNA (5'-R(*UP*CP*CP*CP*(A2M)P*GP*UP*CP*CP*AP*CP*CP*G)-3'), RNA (5'-R(*UP*CP*GP*UP*GP*GP*UP*CP*CP*AP*UP*UP*AP*CP*CP*UP*GP*CP*C)-3'), ... | | Authors: | Salter, J.D, Wedekind, J.E. | | Deposit date: | 2008-04-04 | | Release date: | 2008-08-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural effects of nucleobase variations at key active site residue Ade38 in the hairpin ribozyme.
Rna, 14, 2008
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6FOC
 | | F1-ATPase from Mycobacterium smegmatis | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP synthase epsilon chain, ATP synthase gamma chain, ... | | Authors: | Zhang, T, Montgomery, M.G, Leslie, A.G.W, Cook, G.M, Walker, J.E. | | Deposit date: | 2018-02-06 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (4 Å) | | Cite: | The structure of the catalytic domain of the ATP synthase fromMycobacterium smegmatisis a target for developing antitubercular drugs.
Proc.Natl.Acad.Sci.USA, 116, 2019
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3EZR
 | | CDK-2 with indazole inhibitor 17 bound at its active site | | Descriptor: | 3-methoxy-4-{3-[4-(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 (1.9 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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3CSY
 | | Crystal structure of the trimeric prefusion Ebola virus glycoprotein in complex with a neutralizing antibody from a human survivor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein GP1, ... | | Authors: | Lee, J.E, Fusco, M.L, Hessell, A.J, Oswald, W.B, Burton, D.R, Saphire, E.O. | | Deposit date: | 2008-04-10 | | Release date: | 2008-07-08 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure of the Ebola virus glycoprotein bound to an antibody from a human survivor.
Nature, 454, 2008
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3LX2
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3LX1
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3DSE
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3CQS
 | | A 3'-OH, 2',5'-phosphodiester substitution in the hairpin ribozyme active site reveals similarities with protein ribonucleases | | Descriptor: | 13-mer substrate strand with 3'-OH, 2',5'-phosphodiester covalently linking 5th and 6th nucleotides, 19-mer ribozyme strand, ... | | Authors: | Torelli, A.T, Spitale, R.C, Krucinska, J, Wedekind, J.E. | | Deposit date: | 2008-04-03 | | Release date: | 2008-05-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Shared traits on the reaction coordinates of ribonuclease and an RNA enzyme
Biochem.Biophys.Res.Commun., 371, 2008
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3F5X
 | | CDK-2-Cyclin complex 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, Cyclin-A2, ... | | 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: | 2008-11-04 | | Release date: | 2009-02-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 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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3DWZ
 | | Meropenem Covalent Adduct with TB Beta-lactamase | | Descriptor: | (2S,3R,4S)-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Tremblay, L.W, Hugonnet, J.E, Blanchard, J.S. | | Deposit date: | 2008-07-23 | | Release date: | 2009-03-10 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Meropenem-clavulanate is effective against extensively drug-resistant Mycobacterium tuberculosis
Science, 323, 2009
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3MXF
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JQ1 | | Descriptor: | (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | | Authors: | Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-05-07 | | Release date: | 2010-10-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Selective inhibition of BET bromodomains.
Nature, 468, 2010
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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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3DS9
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3MMS
 | | Crystal structure of Streptococcus pneumoniae MTA/SAH nucleosidase in complex with 8-aminoadenine | | Descriptor: | 5'-methylthioadenosine / S-adenosylhomocysteine nucleosidase, 9H-purine-6,8-diamine, GLYCEROL | | Authors: | Siu, K.K.W, Lee, J.E, Horvatin-Mrakovcic, C, Howell, P.L. | | Deposit date: | 2010-04-20 | | Release date: | 2010-05-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of Streptococcus pneumoniae MTA/SAH nucleosidase in complex with 8-aminoadenine
TO BE PUBLISHED
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3KXA
 | | Crystal Structure of NGO0477 from Neisseria gonorrhoeae | | Descriptor: | ASPARAGINE, CHLORIDE ION, Putative uncharacterized protein, ... | | Authors: | Ren, J, Sainsbury, S, Nettleship, J.E, Owens, R.J, Oxford Protein Production Facility (OPPF) | | Deposit date: | 2009-12-02 | | Release date: | 2010-01-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The crystal structure of NGO0477 from Neisseria gonorrhoeae reveals a novel protein fold incorporating a helix-turn-helix motif.
Proteins, 78, 2010
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3F52
 | | Crystal structure of the clp gene regulator ClgR from C. glutamicum | | Descriptor: | GLYCEROL, clp gene regulator (ClgR) | | Authors: | Russo, S, Schweitzer, J.E, Polen, T, Bott, M, Pohl, E. | | Deposit date: | 2008-11-03 | | Release date: | 2008-11-18 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of the caseinolytic protease gene regulator, a transcriptional activator in actinomycetes
J.Biol.Chem., 284, 2009
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3FKS
 | | Yeast F1 ATPase in the absence of bound nucleotides | | Descriptor: | ATP synthase subunit alpha, mitochondrial, ATP synthase subunit beta, ... | | Authors: | Kabaleeswaran, V, Symersky, J, Shen, H, Walker, J.E, Leslie, A.G.W, Mueller, D.M. | | Deposit date: | 2008-12-17 | | Release date: | 2009-03-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.587 Å) | | Cite: | Asymmetric structure of the yeast f1 ATPase in the absence of bound nucleotides.
J.Biol.Chem., 284, 2009
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3DDX
 | | HK97 bacteriophage capsid Expansion Intermediate-II model | | Descriptor: | Major capsid protein | | Authors: | Lee, K.K, Gan, L, Conway, J.F, Hendrix, R.W, Steven, A.C, Johnson, J.E. | | Deposit date: | 2008-06-06 | | Release date: | 2008-11-04 | | Last modified: | 2025-03-05 | | Method: | ELECTRON MICROSCOPY (14 Å) | | Cite: | Virus capsid expansion driven by the capture of mobile surface loops.
Structure, 16, 2008
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3F2E
 | | Crystal structure of Yellowstone SIRV coat protein C-terminus | | Descriptor: | CITRIC ACID, SIRV coat protein | | Authors: | Taurog, R.E, Szymczyna, B.R, Williamson, J.R, Johnson, J.E. | | Deposit date: | 2008-10-29 | | Release date: | 2009-04-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.668 Å) | | Cite: | Synergy of NMR, computation, and X-ray crystallography for structural biology.
Structure, 17, 2009
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