5DB5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5db5 by Molmil](/molmil-images/mine/5db5) | Crystal structure of PLP-bound E. coli SufS (cysteine persulfide intermediate) in space group P21 | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, CYSTEINE, ... | Authors: | Arbing, M.A, Shin, A, Koo, C.W, Medrano-Soto, A, Eisenberg, D. | Deposit date: | 2015-08-20 | Release date: | 2016-08-24 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Crystal structure of PLP-bound E. coli SufS (cysteine persulfide intermediate) in space group P21 To Be Published
|
|
5KB3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5kb3 by Molmil](/molmil-images/mine/5kb3) | 1.4 A resolution structure of Helicobacter Pylori MTAN in complexed with p-ClPh-DADMe-ImmA | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, MAGNESIUM ION | Authors: | Banco, M.T, Ronning, D.R. | Deposit date: | 2016-06-02 | Release date: | 2016-11-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.399 Å) | Cite: | Neutron structures of the Helicobacter pylori 5'-methylthioadenosine nucleosidase highlight proton sharing and protonation states. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
|
|
8PRG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8prg by Molmil](/molmil-images/mine/8prg) | |
6PFM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6pfm by Molmil](/molmil-images/mine/6pfm) | Crystal structure of GDC-0927 bound to estrogen receptor alpha | Descriptor: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-6-ol, Estrogen receptor | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Wang, X, Zbieg, J.R, Labadie, S.S, Li, J, Ray, N.C, Ortwine, D. | Deposit date: | 2019-06-21 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927. Bioorg.Med.Chem.Lett., 29, 2019
|
|
1TKE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1tke by Molmil](/molmil-images/mine/1tke) | Crystal structure of the editing domain of threonyl-tRNA synthetase complexed with serine | Descriptor: | SERINE, Threonyl-tRNA synthetase | Authors: | Dock-Bregeon, A.C, Rees, B, Torres-Larios, A, Bey, G, Caillet, J, Moras, D. | Deposit date: | 2004-06-08 | Release date: | 2004-11-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Achieving Error-Free Translation; The Mechanism of Proofreading of Threonyl-tRNA Synthetase at Atomic Resolution. Mol.Cell, 16, 2004
|
|
4QX2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qx2 by Molmil](/molmil-images/mine/4qx2) | Cry3A Toxin structure obtained by injecting Bacillus thuringiensis cells in an XFEL beam, collecting data by serial femtosecond crystallographic methods and processing data with the cctbx.xfel software suite | Descriptor: | Pesticidal crystal protein cry3Aa | Authors: | Sawaya, M.R, Cascio, D, Gingery, M, Rodriguez, J, Goldschmidt, L, Colletier, J.-P, Messerschmidt, M, Boutet, S, Koglin, J.E, Williams, G.J, Brewster, A.S, Nass, K, Hattne, J, Botha, S, Doak, R.B, Shoeman, R.L, DePonte, D.P, Park, H.-W, Federici, B.A, Sauter, N.K, Schlichting, I, Eisenberg, D. | Deposit date: | 2014-07-17 | Release date: | 2014-08-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Protein crystal structure obtained at 2.9 angstrom resolution from injecting bacterial cells into an X-ray free-electron laser beam. Proc.Natl.Acad.Sci.USA, 111, 2014
|
|
5D1B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d1b by Molmil](/molmil-images/mine/5d1b) | Crystal structure of G117E HDAC8 in complex with TSA | Descriptor: | Histone deacetylase 8, POTASSIUM ION, TRICHOSTATIN A, ... | Authors: | Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. | Deposit date: | 2015-08-04 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders. Biochemistry, 54, 2015
|
|
3WMS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wms by Molmil](/molmil-images/mine/3wms) | The crystal structure of Y195I mutant alpha-cyclodextrin glycosyltransferase from Paenibacillus macerans | Descriptor: | Alpha-cyclodextrin glucanotransferase, CALCIUM ION | Authors: | Xie, T, Hou, Y.J, Li, D.F, Yue, Y, Qian, S.J, Chao, Y.P. | Deposit date: | 2013-11-24 | Release date: | 2014-11-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of a mutant Y195I alpha-cyclodextrin glycosyltransferase with switched product specificity from alpha-cyclodextrin to beta-/ gamma-cyclodextrin J.Biotechnol., 182-183, 2014
|
|
5DH7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dh7 by Molmil](/molmil-images/mine/5dh7) | Two divalent metal ions and conformational changes play roles in the hammerhead ribozyme cleavage reaction-G12A mutant in Mn2+ | Descriptor: | 5'-R(*GP*GP*GP*CP*GP*UP*DC*UP*GP*GP*GP*CP*AP*GP*UP*AP*CP*CP*CP*A)-3', MANGANESE (II) ION, RNA (48-MER) | Authors: | Mir, A, Chen, J, Neau, D, Golden, B.L. | Deposit date: | 2015-08-29 | Release date: | 2015-10-07 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.064 Å) | Cite: | Two Divalent Metal Ions and Conformational Changes Play Roles in the Hammerhead Ribozyme Cleavage Reaction. Biochemistry, 54, 2015
|
|
8I5C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8i5c by Molmil](/molmil-images/mine/8i5c) | Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) | Descriptor: | Beta-2-microglobulin, MHC class I antigen (Fragment), TCR alpha chain, ... | Authors: | Lu, D, Chen, Y, Jiang, M, Tan, S.G, Chai, Y, Gao, G.F. | Deposit date: | 2023-01-24 | Release date: | 2023-08-23 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.34 Å) | Cite: | Crystal structure of a TCR in complex with HLA-A*11:01 bound to KRAS peptide (VVGAVGVGK) Nat Commun, 2023
|
|
2UVP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2uvp by Molmil](/molmil-images/mine/2uvp) | Crystal structure of HobA (HP1230)from Helicobacter pylori | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | Authors: | Terradot, L, Natrajan, G, Thompson, A.C, Hall, D.R. | Deposit date: | 2007-03-13 | Release date: | 2007-08-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural similarity between the DnaA-binding proteins HobA (HP1230) from Helicobacter pylori and DiaA from Escherichia coli. Mol. Microbiol., 65, 2007
|
|
5D38
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d38 by Molmil](/molmil-images/mine/5d38) | |
5D3L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d3l by Molmil](/molmil-images/mine/5d3l) | First bromodomain of BRD4 bound to inhibitor XD35 | Descriptor: | 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M. | Deposit date: | 2015-08-06 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
|
|
5JYA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5jya by Molmil](/molmil-images/mine/5jya) | |
4IGJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4igj by Molmil](/molmil-images/mine/4igj) | Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, target EFI-507175 | Descriptor: | Maleylacetoacetate isomerase, SULFATE ION | Authors: | Kim, J, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Armstrong, R.N, Gerlt, J.A, Almo, S.C. | Deposit date: | 2012-12-17 | Release date: | 2013-01-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Crystal structure of Maleylacetoacetate isomerase from Anaeromyxobacter dehalogenans 2CP-1, target EFI-507175 To be Published
|
|
7STD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7std by Molmil](/molmil-images/mine/7std) | SCYTALONE DEHYDRATASE PLUS INHIBITOR 4 | Descriptor: | ((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE, CALCIUM ION, Scytalone dehydratase | Authors: | Wawrzak, Z, Sandalova, T, Steffens, J.J, Basarab, G.S, Lundqvist, T, Lindqvist, Y, Jordan, D.B. | Deposit date: | 1999-02-11 | Release date: | 1999-12-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH. Proteins, 35, 1999
|
|
8W35
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8w35 by Molmil](/molmil-images/mine/8w35) | Aca2 from Pectobacterium phage ZF40 bound to RNA | Descriptor: | Anti-CRISPR associated (Aca) protein, Aca2, IR2 and IR-RBS RNA | Authors: | Wilkinson, M.E, Birkholz, N, Kimanius, D, Fineran, P.C. | Deposit date: | 2024-02-21 | Release date: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.61 Å) | Cite: | Phage anti-CRISPR control by an RNA- and DNA-binding helix-turn-helix protein. Nature, 631, 2024
|
|
3WXZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3wxz by Molmil](/molmil-images/mine/3wxz) | The structure of the I375F mutant of CsyB | Descriptor: | Putative uncharacterized protein csyB | Authors: | Mori, T, Yang, D, Matsui, T, Morita, H, Fujii, I, Abe, I. | Deposit date: | 2014-08-13 | Release date: | 2015-01-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Structural basis for the formation of acylalkylpyrones from two beta-ketoacyl units by the fungal type III polyketide synthase CsyB. J.Biol.Chem., 290, 2015
|
|
5CXX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cxx by Molmil](/molmil-images/mine/5cxx) | Structure of a CE1 ferulic acid esterase, AmCE1/Fae1A, from Anaeromyces mucronatus in complex with Ferulic acid | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, GLYCEROL, SULFATE ION, ... | Authors: | Gruninger, R.J, Abbott, D.W. | Deposit date: | 2015-07-29 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Contributions of a unique beta-clamp to substrate recognition illuminates the molecular basis of exolysis in ferulic acid esterases. Biochem.J., 473, 2016
|
|
6P8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6p8t by Molmil](/molmil-images/mine/6p8t) | Acinetobacter baumannii tRNA synthetase in complex with compound 1 | Descriptor: | MAGNESIUM ION, N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine, Phenylalanine--tRNA ligase alpha subunit, ... | Authors: | Kahne, D, Baidin, V, Owens, T.W. | Deposit date: | 2019-06-07 | Release date: | 2020-11-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase. J.Am.Chem.Soc., 143, 2021
|
|
4R8T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r8t by Molmil](/molmil-images/mine/4r8t) | Structure of JEV protease | Descriptor: | CHLORIDE ION, NS3, Serine protease subunit NS2B | Authors: | Nair, D.T, Weinert, T, Wang, M, Olieric, V. | Deposit date: | 2014-09-03 | Release date: | 2014-12-24 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.133 Å) | Cite: | Fast native-SAD phasing for routine macromolecular structure determination. Nat.Methods, 12, 2015
|
|
5D0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5d0e by Molmil](/molmil-images/mine/5d0e) | Crystal Structure of an adenylyl cyclase Ma1120-Cat in complex with GTP and calcium from Mycobacterium avium | Descriptor: | CALCIUM ION, CHLORIDE ION, Cyclase, ... | Authors: | Bharambe, N.G, Barathy, D.V, Suguna, K. | Deposit date: | 2015-08-03 | Release date: | 2016-08-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Substrate specificity determinants of class III nucleotidyl cyclases Febs J., 283, 2016
|
|
1T2T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1t2t by Molmil](/molmil-images/mine/1t2t) | Crystal structure of the DNA-binding domain of intron endonuclease I-TevI with operator site | Descriptor: | 5'-D(*AP*AP*TP*TP*AP*AP*AP*GP*GP*GP*CP*AP*GP*TP*CP*CP*TP*AP*CP*AP*A)-3', 5'-D(*TP*TP*TP*GP*TP*AP*GP*GP*AP*CP*TP*GP*CP*CP*CP*TP*TP*TP*AP*AP*T)-3', Intron-associated endonuclease 1, ... | Authors: | Edgell, D.R, Derbyshire, V, Van Roey, P, LaBonne, S, Stanger, M.J, Li, Z, Boyd, T.M, Shub, D.A, Belfort, M. | Deposit date: | 2004-04-22 | Release date: | 2004-09-07 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Intron-encoded homing endonuclease I-TevI also functions as a transcriptional autorepressor. Nat.Struct.Mol.Biol., 11, 2004
|
|
8VMB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8vmb by Molmil](/molmil-images/mine/8vmb) | |
4IGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4igo by Molmil](/molmil-images/mine/4igo) | Histone H3 Lysine 4 Demethylating rice Rice JMJ703 in complex with alpha-KG | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, Os05g0196500 protein | Authors: | Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X. | Deposit date: | 2012-12-17 | Release date: | 2013-04-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice. PLoS Genet., 9, 2013
|
|