3W1X
 
 | | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-121 | | Descriptor: | 5-{2-[4-(cyanomethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid, COBALT HEXAMMINE(III), Dihydroorotate dehydrogenase (fumarate), ... | | Authors: | Inaoka, D.K, Iida, M, Tabuchi, T, Lee, N, Matsuoka, S, Shiba, T, Sakamoto, K, Suzuki, S, Balogun, E.O, Nara, T, Aoki, T, Inoue, M, Honma, T, Tanaka, A, Harada, S, Kita, K. | | Deposit date: | 2012-11-22 | | Release date: | 2013-11-27 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structure of Trypanosoma cruzi dihydroorotate dehydrogenase in complex with MII-3-121.
To be Published
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3V7X
 | | Complex of human carbonic anhydrase II with N-[2-(3,4-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide | | Descriptor: | Carbonic anhydrase 2, GLYCEROL, MERCURIBENZOIC ACID, ... | | Authors: | Mader, P, Brynda, J, Rezacova, P. | | Deposit date: | 2011-12-22 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Synthesis, Structure-Activity Relationship Studies, and X-ray Crystallographic Analysis of Arylsulfonamides as Potent Carbonic Anhydrase Inhibitors.
J.Med.Chem., 55, 2012
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4GNJ
 | | Crystal Structure Analysis of Leishmania siamensis Triosephosphate Isomerase | | Descriptor: | ARSENIC, SODIUM ION, Triosephosphate isomerase | | Authors: | Kuaprasert, B, Riangrungroj, P, Pornthanakasem, W, Suginta, W, Mungthin, M, Leelayoova, S, Leartsakulpanich, U. | | Deposit date: | 2012-08-17 | | Release date: | 2013-09-11 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Crystal Structure Analysis of Leishmania siamensis Triosephosphate Isomerase
To be Published
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3V9U
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5ACB
 | | Crystal Structure of the Human Cdk12-Cyclink Complex | | Descriptor: | CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, N-[4-[(3R)-3-[[5-chloranyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]piperidin-1-yl]carbonylphenyl]-4-(dimethylamino)butanamide | | Authors: | Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Mackenzie, A, Goubin, S, Strain-Damerell, C, Mahajan, P, Tallant, C, Chalk, R, Wiggers, H, Kopec, J, Fitzpatrick, F, Burgess-Brown, N, Carpenter, E.P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | | Deposit date: | 2015-08-14 | | Release date: | 2016-06-15 | | Last modified: | 2016-10-05 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Covalent Targeting of Remote Cysteine Residues to Develop Cdk12 and Cdk13 Inhibitors.
Nat.Chem.Biol., 12, 2016
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3VA3
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5ADM
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with 7-((3-Aminomethyl)phenoxy)methyl)quinolin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2015-08-20 | | Release date: | 2015-10-28 | | Last modified: | 2015-11-25 | | Method: | X-RAY DIFFRACTION (2.196 Å) | | Cite: | Phenyl Ether- and Aniline-Containing 2-Aminoquinolines as Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
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3VAD
 | | Crystal structure of I170F mutant branched-chain alpha-ketoacid dehydrogenase kinase in complex with 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid | | Descriptor: | 3,6-dichloro-1-benzothiophene-2-carboxylic acid, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Ahmed, K, Gui, W.J, Tso, S.C, Chuang, J.L, Wynn, R.M, Chuang, D.T. | | Deposit date: | 2011-12-29 | | Release date: | 2013-01-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | Crystal structure of I170F mutant branched-chain alpha-ketoacid dehydrogenase kinase in complex with 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid
To be Published
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5OLP
 | | Galacturonidase | | Descriptor: | CALCIUM ION, Pectate lyase | | Authors: | Basle, A, Luis, A.S, Gilbert, H.J. | | Deposit date: | 2017-07-28 | | Release date: | 2017-11-29 | | Last modified: | 2018-12-12 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Dietary pectic glycans are degraded by coordinated enzyme pathways in human colonic Bacteroides.
Nat Microbiol, 3, 2018
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3VBR
 | | Crystal structure of formaldehyde treated empty human Enterovirus 71 particle (room temperature) | | Descriptor: | Genome Polyprotein, capsid protein VP0, capsid protein VP1, ... | | Authors: | Wang, X, Peng, W, Ren, J, Hu, Z, Xu, J, Lou, Z, Li, X, Yin, W, Shen, X, Porta, C, Walter, T.S, Evans, G, Axford, D, Owen, R, Rowlands, D.J, Wang, J, Stuart, D.I, Fry, E.E, Rao, Z. | | Deposit date: | 2012-01-02 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | A sensor-adaptor mechanism for enterovirus uncoating from structures of EV71.
Nat.Struct.Mol.Biol., 19, 2012
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5OL6
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4GPW
 | | Crystal structure of the protozoal cytoplasmic ribosomal decoding site in complex with 6'-hydroxysisomicin (P21212 form) | | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*GP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | | Authors: | Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S. | | Deposit date: | 2012-08-22 | | Release date: | 2013-04-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites
Chemmedchem, 8, 2013
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5OH0
 | | The Cryo-Electron Microscopy Structure of the Type 1 Chaperone-Usher Pilus Rod | | Descriptor: | Type-1 fimbrial protein, A chain | | Authors: | Hospenthal, M.K, Costa, T.R.D, Redzej, A, Waksman, G. | | Deposit date: | 2017-07-13 | | Release date: | 2017-11-22 | | Last modified: | 2019-10-23 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | The Cryoelectron Microscopy Structure of the Type 1 Chaperone-Usher Pilus Rod.
Structure, 25, 2017
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4GPY
 | | Crystal structure of the bacterial ribosomal decoding site in complex with 6'-hydroxysisomicin | | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(hydroxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | | Authors: | Kondo, J, Koganei, M, Maianti, J.P, Ly, V.L, Hanessian, S. | | Deposit date: | 2012-08-22 | | Release date: | 2013-04-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structures of a bioactive 6'-hydroxy variant of sisomicin bound to the bacterial and protozoal ribosomal decoding sites
Chemmedchem, 8, 2013
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4GQ2
 | | S. pombe Nup120-Nup37 complex | | Descriptor: | Nucleoporin nup120, Nup37 | | Authors: | Liu, X, Mitchell, J, Wozniak, R, Blobel, G, Fan, J. | | Deposit date: | 2012-08-22 | | Release date: | 2012-10-03 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural evolution of the membrane-coating module of the nuclear pore complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4GQR
 | | Human Pancreatic alpha-amylase in complex with myricetin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, CALCIUM ION, ... | | Authors: | Williams, L.K, Brayer, G.D. | | Deposit date: | 2012-08-23 | | Release date: | 2012-10-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Order and disorder: differential structural impacts of myricetin and ethyl caffeate on human amylase, an antidiabetic target.
J.Med.Chem., 55, 2012
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5OLT
 | | Crystal structure of the extramembrane domain of the cellulose biosynthetic protein BcsG from Salmonella typhimurium | | Descriptor: | CITRIC ACID, Cellulose biosynthesis protein BcsG, ZINC ION | | Authors: | Vella, P, Polyakova, A, Lindqvist, Y, Schnell, R, Bourenkov, G, Schneider, T, Schneider, G. | | Deposit date: | 2017-07-28 | | Release date: | 2018-08-08 | | Last modified: | 2019-02-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Structural and Functional Characterization of the BcsG Subunit of the Cellulose Synthase in Salmonella typhimurium.
J. Mol. Biol., 430, 2018
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4GR7
 | | The human W42R Gamma D-Crystallin Mutant Structure at 1.7A Resolution | | Descriptor: | Gamma-crystallin D, PHOSPHATE ION | | Authors: | Ji, F, Jung, J, Koharudin, L.M.I, Gronenborn, A.M. | | Deposit date: | 2012-08-24 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The human W42R gamma D-crystallin mutant structure provides a link between congenital and age-related cataracts.
J.Biol.Chem., 288, 2013
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3MQE
 | | Structure of SC-75416 bound at the COX-2 active site | | Descriptor: | (2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wang, J.L, Limburg, D, Graneto, M.J, Springer, J, Rogier, J, Kiefer, J.R. | | Deposit date: | 2010-04-28 | | Release date: | 2010-10-27 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
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5OJE
 | | Endothiapepsin with Ligand VSK-B24 | | Descriptor: | (2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)-~{N}-[2-(2,4,6-trimethylphenyl)ethyl]propanamide, DIMETHYL SULFOXIDE, Endothiapepsin, ... | | Authors: | Gierse, R.M, Magari, F, Groves, M.R, Heine, A, Klebe, G, Hirsch, A. | | Deposit date: | 2017-07-21 | | Release date: | 2018-09-12 | | Last modified: | 2018-11-21 | | Method: | X-RAY DIFFRACTION (1.579 Å) | | Cite: | Design and Synthesis of Bioisosteres of Acylhydrazones as Stable Inhibitors of the Aspartic Protease Endothiapepsin.
ChemMedChem, 13, 2018
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3VDY
 | | B. subtilis SsbB/ssDNA | | Descriptor: | 5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3', Single-stranded DNA-binding protein ssbB | | Authors: | Yadav, T, Carrasco, B, Myers, A.R, George, N.P, Keck, J.L, Alonso, J.C. | | Deposit date: | 2012-01-06 | | Release date: | 2012-03-14 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Genetic recombination in Bacillus subtilis: a division of labor between two single-strand DNA-binding proteins.
Nucleic Acids Res., 40, 2012
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4GPR
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4GPU
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4GQJ
 | | Complex of a binuclear Ruthenium compound D,D-([mu-(11,11')-bi(dppz)-(1,10-phenanthroline)4-Ru2]4+) bound to d(CGTACG) | | Descriptor: | (mu-11,11'-bidipyrido[3,2-a:2',3'-c]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~4'~,N~5'~)[tetrakis(1,10-phenanthroline-kappa~2~N~1~,N~10~)]diruthenium, DNA (5'-D(*CP*GP*TP*AP*CP*G)-3') | | Authors: | Boer, D.R, Coll, M. | | Deposit date: | 2012-08-23 | | Release date: | 2014-03-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.951 Å) | | Cite: | Thread Insertion of a Bis(dipyridophenazine) Diruthenium Complex into the DNA Double Helix by the Extrusion of AT Base Pairs and Cross-Linking of DNA Duplexes.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4ZZB
 | | The GLIC pentameric Ligand-Gated Ion Channel Locally-closed form complexed to xenon | | Descriptor: | ACETATE ION, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Sauguet, L, Fourati, Z, Prange, T, Delarue, M, Colloc'h, N. | | Deposit date: | 2015-05-22 | | Release date: | 2016-03-02 | | Last modified: | 2018-11-21 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural Basis for Xenon Inhibition in a Cationic Pentameric Ligand-Gated Ion Channel.
Plos One, 11, 2016
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