5T4V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5t4v by Molmil](/molmil-images/mine/5t4v) | Crystal structure of the bromodomain of human BRPF1 in complex with NI-48 ligand | Descriptor: | 1,2-ETHANEDIOL, 4-cyano-N-(7-methoxy-1,4-dimethyl-2-oxo-1,2-dihydroquinolin-6-yl)benzene-1-sulfonamide, FORMIC ACID, ... | Authors: | Tallant, C, Igoe, N, Bayle, E.D, Nunez-Alonso, G, Newman, J.A, Mathea, S, Savitsky, P, Fedorov, O, Brennan, P.E, Muller, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fish, P, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2016-08-30 | Release date: | 2017-02-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Design of a Biased Potent Small Molecule Inhibitor of the Bromodomain and PHD Finger-Containing (BRPF) Proteins Suitable for Cellular and in Vivo Studies. J. Med. Chem., 60, 2017
|
|
3R1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3r1z by Molmil](/molmil-images/mine/3r1z) | Crystal structure of NYSGRC enolase target 200555, a putative dipeptide epimerase from Francisella philomiragia : Complex with L-Ala-L-Glu and L-Ala-D-Glu | Descriptor: | ALANINE, D-GLUTAMIC ACID, Enzyme of enolase superfamily, ... | Authors: | Vetting, M.W, Hillerich, B, Seidel, R.D, Zencheck, W.D, Toro, R, Imker, H.J, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2011-03-11 | Release date: | 2011-04-20 | Last modified: | 2012-03-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
2BH4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2bh4 by Molmil](/molmil-images/mine/2bh4) | X-ray structure of the M100K variant of ferric cyt c-550 from Paracoccus versutus determined at 100 K. | Descriptor: | CYTOCHROME C-550, HEME C | Authors: | Worrall, J.A.R, Van Roon, A.-M.M, Ubbink, M, Canters, G.W. | Deposit date: | 2005-01-07 | Release date: | 2005-05-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Effect of Replacing the Axial Methionine Ligand with a Lysine Residue in Cytochrome C-550 from Paracoccus Versutus Assessed by X-Ray Crystallography and Unfolding. FEBS J., 272, 2005
|
|
3T4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t4b by Molmil](/molmil-images/mine/3t4b) | Crystal Structure of the HCV IRES pseudoknot domain | Descriptor: | HCV IRES pseudoknot domain plus crystallization module, NICKEL (II) ION | Authors: | Berry, K.E, Waghray, S, Mortimer, S.A, Bai, Y, Doudna, J.A. | Deposit date: | 2011-07-25 | Release date: | 2011-10-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | Crystal structure of the HCV IRES central domain reveals strategy for start-codon positioning. Structure, 19, 2011
|
|
3SOK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sok by Molmil](/molmil-images/mine/3sok) | Dichelobacter nodosus pilin FimA | Descriptor: | Fimbrial protein | Authors: | Arvai, A.S, Craig, L, Hartung, S, Wood, T, Kolappan, S, Shin, D.S, Tainer, J.A. | Deposit date: | 2011-06-30 | Release date: | 2011-11-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Ultrahigh Resolution and Full-length Pilin Structures with Insights for Filament Assembly, Pathogenic Functions, and Vaccine Potential. J.Biol.Chem., 286, 2011
|
|
3SP7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sp7 by Molmil](/molmil-images/mine/3sp7) | Crystal Structure of Bcl-xL bound to BM903 | Descriptor: | 5-(4-chlorophenyl)-4-{3-[4-(4-{[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrophenyl)sulfonyl]amino}phenyl)piperazin-1-yl]phenyl}-1,2-dimethyl-1H-pyrrole-3-carboxylic acid, ACETATE ION, Bcl-2-like protein 1, ... | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2011-07-01 | Release date: | 2012-07-04 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structure-based design of a new class of potent Bcl-2/Bcl-xL inhibitors To be Published
|
|
4E2O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e2o by Molmil](/molmil-images/mine/4e2o) | Crystal structure of alpha-amylase from Geobacillus thermoleovorans, GTA, complexed with acarbose | Descriptor: | 6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha-amylase, CALCIUM ION, ... | Authors: | Mok, S.C, Teh, A.H, Saito, J.A, Najimudin, N, Alam, M. | Deposit date: | 2012-03-09 | Release date: | 2013-03-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Crystal structure of a compact alpha-amylase from Geobacillus thermoleovorans. Enzyme.Microb.Technol., 53, 2013
|
|
3SR2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sr2 by Molmil](/molmil-images/mine/3sr2) | Crystal Structure of Human XLF-XRCC4 Complex | Descriptor: | DNA repair protein XRCC4, Non-homologous end-joining factor 1 | Authors: | Hammel, M, Classen, S, Tainer, J.A. | Deposit date: | 2011-07-06 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.9708 Å) | Cite: | XRCC4 Protein Interactions with XRCC4-like Factor (XLF) Create an Extended Grooved Scaffold for DNA Ligation and Double Strand Break Repair. J.Biol.Chem., 286, 2011
|
|
4E38
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e38 by Molmil](/molmil-images/mine/4e38) | Crystal structure of probable keto-hydroxyglutarate-aldolase from Vibrionales bacterium SWAT-3 (Target EFI-502156) | Descriptor: | CHLORIDE ION, Keto-hydroxyglutarate-aldolase/keto-deoxy-phosphogluconate aldolase | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Allen, K.N, Dunaway-Mariano, D, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-03-09 | Release date: | 2012-03-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Crystal structure of probable keto-hydroxyglutarate-aldolase from Vibrionales bacterium SWAT-3 (Target EFI-502156) To be Published
|
|
4DEJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dej by Molmil](/molmil-images/mine/4dej) | Crystal structure of glutathione transferase-like protein IL0419 (Target EFI-501089) from Idiomarina loihiensis L2TR | Descriptor: | Glutathione S-transferase related protein | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Zencheck, W.D, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-01-20 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of Glutathione S-Transferase-Like Protein Il0419 from Idiomarina Loihiensis To be Published
|
|
4DF1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4df1 by Molmil](/molmil-images/mine/4df1) | Crystal structure of orotidine 5'-monophosphate decarboxylase from Thermoproteus neutrophilus complexed with inhibitor BMP | Descriptor: | 6-HYDROXYURIDINE-5'-PHOSPHATE, NICKEL (II) ION, Orotidine 5'-phosphate decarboxylase | Authors: | Fedorov, A.A, Fedorov, E.V, Desai, B, Gerlt, J.A, Almo, S.C. | Deposit date: | 2012-01-22 | Release date: | 2013-01-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.899 Å) | Cite: | Crystal structure of orotidine 5'-monophosphate decarboxylase from Thermoproteus neutrophilus complexed with inhibitor BMP To be Published
|
|
3SW4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3sw4 by Molmil](/molmil-images/mine/3sw4) | |
4DNM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dnm by Molmil](/molmil-images/mine/4dnm) | Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound hepes, space group p3221 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Amidohydrolase 2, GLYCEROL, ... | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Seidel, R.D, Hillerich, B, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Al Obaidi, N.F, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-02-08 | Release date: | 2012-02-29 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure of an amidohydrolase (cog3618) from burkholderia multivorans (target efi-500235) with bound hepes, space group p3221 to be published
|
|
4DPQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dpq by Molmil](/molmil-images/mine/4dpq) | The structure of dihydrodipicolinate synthase 2 from Arabidopsis thaliana in complex with (S)-lysine | Descriptor: | Dihydrodipicolinate synthase 2, chloroplastic, LYSINE, ... | Authors: | Griffin, M.D.W, Billakanti, J.M, Gerrard, J.A, Dobson, R.C.J, Pearce, F.G. | Deposit date: | 2012-02-14 | Release date: | 2012-07-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Characterisation of the first enzymes committed to lysine biosynthesis in Arabidopsis thaliana Plos One, 7, 2012
|
|
4DXK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dxk by Molmil](/molmil-images/mine/4dxk) | Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502086) from Agrobacterium tumefaciens, with a succinimide residue, na and phosphate | Descriptor: | Mandelate racemase / muconate lactonizing enzyme family protein, PHOSPHATE ION, SODIUM ION | Authors: | Vetting, M.W, Bouvier, J.T, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-02-27 | Release date: | 2012-04-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of an enolase (mandelate racemase subgroup, target EFI-502086) from Agrobacterium tumefaciens, with a succinimide residue, na and phosphate to be published
|
|
4DZI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dzi by Molmil](/molmil-images/mine/4dzi) | Crystal structure of amidohydrolase map2389c (target EFI-500390) from Mycobacterium avium subsp. paratuberculosis K-10 | Descriptor: | CADMIUM ION, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Gerlt, J.A, Raushel, F.M, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2012-03-01 | Release date: | 2012-03-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of amidohydrolase map2389c (target EFI-500390) from Mycobacterium avium To be Published
|
|
3SPF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3spf by Molmil](/molmil-images/mine/3spf) | Crystal Structure of Bcl-xL bound to BM501 | Descriptor: | 4-(4-chlorophenyl)-1-[(3S)-3,4-dihydroxybutyl]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenyl-1H-pyrrole-2-carboxamide, Bcl-2-like protein 1, GLYCEROL | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2011-07-01 | Release date: | 2012-06-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design of Bcl-2 and Bcl-xL Inhibitors with Subnanomolar Binding Affinities Based upon a New Scaffold. J.Med.Chem., 55, 2012
|
|
4CMP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cmp by Molmil](/molmil-images/mine/4cmp) | Crystal structure of S. pyogenes Cas9 | Descriptor: | CRISPR-ASSOCIATED ENDONUCLEASE CAS9/CSN1, MAGNESIUM ION, SULFATE ION | Authors: | Jinek, M, Jiang, F, Taylor, D.W, Sternberg, S.H, Kaya, E, Ma, E, Anders, C, Hauer, M, Zhou, K, Lin, S, Kaplan, M, Iavarone, A.T, Charpentier, E, Nogales, E, Doudna, J.A. | Deposit date: | 2014-01-16 | Release date: | 2014-02-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structures of Cas9 Endonucleases Reveal RNA-Mediated Conformational Activation. Science, 343, 2014
|
|
3ZO7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3zo7 by Molmil](/molmil-images/mine/3zo7) | Crystal structure of ClcFE27A with substrate | Descriptor: | (2S)-2-chloranyl-2-[(2R)-5-oxidanylidene-2H-furan-2-yl]ethanoic acid, 5-CHLOROMUCONOLACTONE DEHALOGENASE, CHLORIDE ION | Authors: | Roth, C, Groening, J.A.D, Kaschabek, S.R, Schloemann, M, Straeter, N. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.224 Å) | Cite: | Crystal Structure and Catalytic Mechanism of Chloromuconolactone Dehalogenase Clcf from Rhodococcus Opacus 1Cp. Mol.Microbiol., 88, 2013
|
|
1FZK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fzk by Molmil](/molmil-images/mine/1fzk) | MHC CLASS I NATURAL MUTANT H-2KBM1 HEAVY CHAIN COMPLEXED WITH BETA-2 MICROGLOBULIN AND SENDAI VIRUS NUCLEOPROTEIN | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rudolph, M.G, Speir, J.A, Brunmark, A, Mattsson, N, Jackson, M.R, Peterson, P.A, Teyton, L, Wilson, I.A. | Deposit date: | 2000-10-03 | Release date: | 2001-03-28 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The crystal structures of K(bm1) and K(bm8) reveal that subtle changes in the peptide environment impact thermostability and alloreactivity. Immunity, 14, 2001
|
|
5UC3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5uc3 by Molmil](/molmil-images/mine/5uc3) | Structure of the dominant negative mutant Glucocorticoid Receptor alpha (L733K/N734P) complexed with RU-486 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE, ... | Authors: | Min, J, Cidlowski, J.A, Pedersen, L.C. | Deposit date: | 2016-12-21 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.009 Å) | Cite: | Nuclear receptor To Be Published
|
|
3S39
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3s39 by Molmil](/molmil-images/mine/3s39) | Structure of Thermus thermophilus cytochrome ba3 oxidase 60s after Xe depressurization | Descriptor: | COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, Cytochrome c oxidase subunit 1, ... | Authors: | Luna, V.M, Fee, J.A, Deniz, A.A, Stout, C.D. | Deposit date: | 2011-05-17 | Release date: | 2012-05-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (4.8 Å) | Cite: | Mobility of Xe atoms within the oxygen diffusion channel of cytochrome ba(3) oxidase. Biochemistry, 51, 2012
|
|
4D0Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d0y by Molmil](/molmil-images/mine/4d0y) | |
4CIC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cic by Molmil](/molmil-images/mine/4cic) | T. potens IscR | Descriptor: | HEXA-ALANINE PEPTIDE, SODIUM ION, TRANSCRIPTIONAL REGULATOR, ... | Authors: | Santos, J.A, Macedo-Ribeiro, S, Pereira, P.J.B. | Deposit date: | 2013-12-06 | Release date: | 2014-05-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Unique Regulation of Iron-Sulfur Cluster Biogenesis in a Gram-Positive Bacterium. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
4CVD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4cvd by Molmil](/molmil-images/mine/4cvd) | |