4MQQ
 
 | | Mycobaterium tuberculosis transaminase BioA complexed with benzo[d]thiazole-2-carbohydrazide | | Descriptor: | (4-{[(E)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate, 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ... | | Authors: | Finzel, B.C, Dai, R. | | Deposit date: | 2013-09-16 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Inhibition of Mycobacterium tuberculosis Transaminase BioA by Aryl Hydrazines and Hydrazides.
Chembiochem, 15, 2014
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5TE3
 | | Crystal structure of Bos taurus opsin at 2.7 Angstrom | | Descriptor: | PALMITIC ACID, Rhodopsin, SULFATE ION, ... | | Authors: | Gulati, S, Kiser, P.D, Palczewski, K. | | Deposit date: | 2016-09-20 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Photocyclic behavior of rhodopsin induced by an atypical isomerization mechanism.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4MRE
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5J51
 | | Structure of tetrameric jacalin complexed with Gal alpha-(1,4) Gal | | Descriptor: | 1,2-ETHANEDIOL, Agglutinin alpha chain, Agglutinin beta-3 chain, ... | | Authors: | Abhinav, K.V, Sharma, K, Surolia, A, Vijayan, M. | | Deposit date: | 2016-04-01 | | Release date: | 2016-12-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Effect of linkage on the location of reducing and nonreducing sugars bound to jacalin.
IUBMB Life, 68, 2016
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6IU6
 | | Crystal structure of cytoplasmic metal binding domain with nickel ions | | Descriptor: | NICKEL (II) ION, VIT1, ZINC ION | | Authors: | Kato, T, Nishizawa, T, Yamashita, K, Kumazaki, K, Ishitani, R, Nureki, O. | | Deposit date: | 2018-11-27 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of plant vacuolar iron transporter VIT1.
Nat Plants, 5, 2019
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4MN0
 | | Spatial structure of the novel light-sensitive photoprotein berovin from the ctenophore Beroe abyssicola in the Ca2+-loaded apoprotein conformation state | | Descriptor: | Berovin, CALCIUM ION, MAGNESIUM ION | | Authors: | Liu, Z.J, Stepanyuk, G.A, Vysotski, E.S, Lee, J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | | Deposit date: | 2013-09-09 | | Release date: | 2013-10-16 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Spatial structure of the novel light-sensitive photoprotein berovin from the ctenophore Beroe abyssicola in the Ca(2+)-loaded apoprotein conformation state.
Biochim.Biophys.Acta, 1834, 2013
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5TE5
 | | Crystal structure of Bos taurus opsin regenerated with 6-carbon ring retinal chromophore | | Descriptor: | (2E)-{(4E)-4-[(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene}acetaldehyde, Rhodopsin | | Authors: | Gulati, S, Banerjee, S, Katayama, K, Kiser, P.D, Palczewski, K. | | Deposit date: | 2016-09-20 | | Release date: | 2017-03-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (4.01 Å) | | Cite: | Photocyclic behavior of rhodopsin induced by an atypical isomerization mechanism.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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4MNV
 | | Crystal structure of bicyclic peptide UK729 bound as an acyl-enzyme intermediate to urokinase-type plasminogen activator (uPA) | | Descriptor: | 1,3,5-tris(bromomethyl)benzene, ACETATE ION, GLYCEROL, ... | | Authors: | Chen, S, Pojer, F, Heinis, C. | | Deposit date: | 2013-09-11 | | Release date: | 2014-02-05 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Peptide ligands stabilized by small molecules.
Angew.Chem.Int.Ed.Engl., 53, 2014
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5J7Z
 | | Crystal structure of endoglycoceramidase I from Rhodococ-cus equi in complex with GM1 | | Descriptor: | N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)STEARAMIDE, Putative secreted endoglycosylceramidase, SODIUM ION, ... | | Authors: | Chen, L. | | Deposit date: | 2016-04-07 | | Release date: | 2016-04-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural Insights into the Broad Substrate Specificity of a Novel Endoglycoceramidase I Belonging to a New Subfamily of GH5 Glycosidases.
J. Biol. Chem., 292, 2017
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5TEM
 | | Structure of 4-Hydroxy-tetrahydrodipicolinate Reductase from Vibrio vulnificus with 2,6 Pyridine Dicarboxylic and NADH | | Descriptor: | 4-hydroxy-tetrahydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PYRIDINE-2,6-DICARBOXYLIC ACID, ... | | Authors: | Mank, N, Arnette, K, Klapper, V, Chruszcz, M. | | Deposit date: | 2016-09-22 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Comparative structural and mechanistic studies of 4-hydroxy-tetrahydrodipicolinate reductases from Mycobacterium tuberculosis and Vibrio vulnificus.
Biochim Biophys Acta Gen Subj, 1865, 2021
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4MKM
 | | Repeat domains 1 & 2 of Clostridium perfringens Cpe0147 | | Descriptor: | CALCIUM ION, Putative surface anchored protein | | Authors: | Kwon, H, Squire, C.J, Young, P.G, Baker, E.N. | | Deposit date: | 2013-09-05 | | Release date: | 2013-12-04 | | Last modified: | 2014-02-12 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Autocatalytically generated Thr-Gln ester bond cross-links stabilize the repetitive Ig-domain shaft of a bacterial cell surface adhesin.
Proc.Natl.Acad.Sci.USA, 111, 2014
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5MHQ
 | | CCT068127 in complex with CDK2 | | Descriptor: | (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol, Cyclin-dependent kinase 2 | | Authors: | Whittaker, S.R, Barlow, C, Martin, M.P, Mancusi, C, Wagner, S, Barrie, E, te Poele, R, Sharp, S, Brown, N, Wilson, S, Clarke, P, Walton, M.I, MacDonald, E, Blagg, J, Noble, M.E.M, Garrett, M.D, Workman, P. | | Deposit date: | 2016-11-25 | | Release date: | 2017-12-20 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Molecular profiling and combinatorial activity of CCT068127: a potent CDK2 and CDK9 inhibitor.
Mol Oncol, 12, 2018
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5JA0
 | | Crystal structure of human FPPS with allosterically bound FPP | | Descriptor: | FARNESYL DIPHOSPHATE, Farnesyl pyrophosphate synthase, PHOSPHATE ION | | Authors: | Park, J, Zielinski, M, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2016-04-11 | | Release date: | 2017-01-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human farnesyl pyrophosphate synthase is allosterically inhibited by its own product.
Nat Commun, 8, 2017
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5TK2
 | | Crystal Structure of Uncharacterized Cupredoxin-like domain protein from Bacillus anthracis | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, Cytochrome B, ... | | Authors: | Kim, Y, Maltseva, N, Shatsman, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-10-06 | | Release date: | 2016-11-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of Uncharacterized Cupredoxin-like domain protein from
Bacillus anthracis
To Be Published
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5JAZ
 | | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC51 and manganese | | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, FORMIC ACID, ... | | Authors: | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | Deposit date: | 2016-04-12 | | Release date: | 2016-08-24 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
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4MMP
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4MMV
 | | Crystal Structure of Prefusion-stabilized RSV F Variant DS-Cav1-TriC at pH 9.5 | | Descriptor: | Fusion glycoprotein F1 fused with Fibritin trimerization domain, Fusion glycoprotein F2 | | Authors: | Stewart-Jones, G.B.E, McLellan, J.S, Joyce, M.G, Sastry, M, Yang, Y, Graham, B.S, Kwong, P.D. | | Deposit date: | 2013-09-09 | | Release date: | 2013-11-20 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Structure-based design of a fusion glycoprotein vaccine for respiratory syncytial virus.
Science, 342, 2013
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4MLV
 | | Crystal Structure of Bacillus megaterium porphobilinogen deaminase | | Descriptor: | 3-[(5S)-5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]propanoic acid, 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, ACETIC ACID, ... | | Authors: | Azim, N, Deery, E, Warren, M.J, Erskine, P, Cooper, J.B, Coker, A, Wood, S.P, Akhtar, M. | | Deposit date: | 2013-09-06 | | Release date: | 2014-04-02 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.455 Å) | | Cite: | Structural evidence for the partially oxidized dipyrromethene and dipyrromethanone forms of the cofactor of porphobilinogen deaminase: structures of the Bacillus megaterium enzyme at near-atomic resolution.
Acta Crystallogr.,Sect.D, 70, 2014
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1EBL
 | | THE 1.8 A CRYSTAL STRUCTURE AND ACTIVE SITE ARCHITECTURE OF BETA-KETOACYL-[ACYL CARRIER PROTEIN] SYNTHASE III (FABH) FROM ESCHERICHIA COLI | | Descriptor: | BETA-KETOACYL-ACP SYNTHASE III, COENZYME A | | Authors: | Davies, C, Heath, R.J, White, S.W, Rock, C.O. | | Deposit date: | 2000-01-24 | | Release date: | 2000-02-11 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The 1.8 A crystal structure and active-site architecture of beta-ketoacyl-acyl carrier protein synthase III (FabH) from escherichia coli.
Structure Fold.Des., 8, 2000
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1EA4
 | | TRANSCRIPTIONAL REPRESSOR COPG/22bp dsDNA COMPLEX | | Descriptor: | DNA (5'-D(*TP*AP*AP*CP*CP*GP*TP*GP *CP*AP*CP*TP*CP*AP*AP*TP*GP*CP*AP*AP*TP*C)-3'), DNA(5'-D(*AP*GP*AP*TP*TP*GP*CP*AP*TP *TP*GP*AP*GP*TP*GP*CP*AP*CP*GP*GP*TP*T)-3'), TRANSCRIPTIONAL REPRESSOR COPG | | Authors: | Gomis-Rueth, F.X, Costa, M, Sola, M, Acebo, P, Eritja, R, Espinosa, M, Solar, G.D, Coll, M. | | Deposit date: | 2000-11-05 | | Release date: | 2001-07-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Plasmid Transcriptional Repressor Copg Oligomerises to Render Helical Superstructures Unbound and in Complexes with Oligonucleotides
J.Mol.Biol., 310, 2001
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4MOQ
 | | Pyranose 2-oxidase V546C mutant with 2-fluorinated galactose | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-deoxy-2-fluoro-beta-D-galactopyranose, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | | Authors: | Tan, T.C, Spadiut, O, Gandini, R, Haltrich, D, Divne, C. | | Deposit date: | 2013-09-12 | | Release date: | 2014-02-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Plos One, 9, 2014
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4MP8
 | | Staphyloferrin B precursor biosynthetic enzyme SbnB bound to malonate and NAD+ | | Descriptor: | MALONATE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Putative ornithine cyclodeaminase | | Authors: | Grigg, J.C, Kobylarz, M.J, Rai, D.K, Murphy, M.E.P. | | Deposit date: | 2013-09-12 | | Release date: | 2014-03-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis of L-2,3-diaminopropionic Acid, a siderophore and antibiotic precursor.
Chem.Biol., 21, 2014
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4MQV
 | | Crystal complex of Rpa32c and Smarcal1 N-terminus | | Descriptor: | Replication protein A 32 kDa subunit, SWI/SNF-related matrix-associated actin-dependent regulator of chromatin subfamily A-like protein 1 | | Authors: | Xie, S, Qian, C.M. | | Deposit date: | 2013-09-16 | | Release date: | 2014-07-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of RPA32 bound to the N-terminus of SMARCAL1 redefines the binding interface between RPA32 and its interacting proteins
Febs J., 281, 2014
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4MR3
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with a quinazolinone ligand (RVX-OH) | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4 | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-09-17 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4MR5
 | | Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-OH) | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, ... | | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Martin, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-09-17 | | Release date: | 2013-11-27 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
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