5CT0
 
 | | Crystal structure of CK2alpha with 3-(3-chloro-4-(phenyl)benzylamino)propan-1-ol bound | | Descriptor: | 3-{[(2-chlorobiphenyl-4-yl)methyl]amino}propan-1-ol, ACETATE ION, Casein kinase II subunit alpha | | Authors: | Brear, P, De Fusco, C, Georgiou, K.H, Spring, D, Hyvonen, M. | | Deposit date: | 2015-07-23 | | Release date: | 2016-11-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.008 Å) | | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066.
Bioorg. Med. Chem., 25, 2017
|
|
2O99
 | | The crystal structure of E.coli IclR C-terminal fragment in complex with glyoxylate | | Descriptor: | 1,2-ETHANEDIOL, Acetate operon repressor, GLYCOLIC ACID | | Authors: | Lunin, V.V, Ezersky, A, Evdokimova, E, Kudritska, M, Savchenko, A. | | Deposit date: | 2006-12-13 | | Release date: | 2007-04-10 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Glyoxylate and Pyruvate Are Antagonistic Effectors of the Escherichia coli IclR Transcriptional Regulator.
J.Biol.Chem., 282, 2007
|
|
5CTL
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | Bromodomain-containing protein 4, N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-07-24 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
|
|
5CU8
 | | Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 2-Amino-6-chlorobenzothiazole (SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, 6-chloro-1,3-benzothiazol-2-amine, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-07-24 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 2-Amino-6-chlorobenzothiazole (SGC - Diamond I04-1 fragment screening)
To be published
|
|
5CUE
 | | Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with AGN-PC-04G0SS (SGC - Diamond I04-1 fragment screening) | | Descriptor: | 1,2-ETHANEDIOL, 5-chloro-N,1-dimethyl-1H-pyrazole-4-carboxamide, Bromodomain adjacent to zinc finger domain protein 2B | | Authors: | Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-07-24 | | Release date: | 2015-09-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with AGN-PC-04G0SS (SGC - Diamond I04-1 fragment screening)
To be published
|
|
3J1Z
 | | Inward-Facing Conformation of the Zinc Transporter YiiP revealed by Cryo-electron Microscopy | | Descriptor: | Cation efflux family protein | | Authors: | Coudray, N, Valvo, S, Hu, M, Lasala, R, Kim, C, Vink, M, Zhou, M, Provasi, D, Filizola, M, Tao, J, Fang, J, Penczek, P.A, Ubarretxena-Belandia, I, Stokes, D.L, Transcontinental EM Initiative for Membrane Protein Structure (TEMIMPS) | | Deposit date: | 2012-07-24 | | Release date: | 2012-10-10 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (13 Å) | | Cite: | Inward-facing conformation of the zinc transporter YiiP revealed by cryoelectron microscopy.
Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
6IBC
 | | Thermophage P23-45 procapsid | | Descriptor: | Major head protein | | Authors: | Bayfield, O.W, Klimuk, E, Winkler, D.C, Hesketh, E.L, Chechik, M, Cheng, N, Dykeman, E.C, Minakhin, L, Ranson, N.A, Severinov, K, Steven, A.C, Antson, A.A. | | Deposit date: | 2018-11-29 | | Release date: | 2019-02-13 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (4.39 Å) | | Cite: | Cryo-EM structure and in vitro DNA packaging of a thermophilic virus with supersized T=7 capsids.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
2AWF
 | | Structure of human Ubiquitin-conjugating enzyme E2 G1 | | Descriptor: | Ubiquitin-conjugating enzyme E2 G1 | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Finerty, P, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-09-01 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
|
|
1KOG
 | | Crystal structure of E. coli threonyl-tRNA synthetase interacting with the essential domain of its mRNA operator | | Descriptor: | 5'-O-(N-(L-THREONYL)-SULFAMOYL)ADENOSINE, Threonyl-tRNA synthetase, Threonyl-tRNA synthetase mRNA, ... | | Authors: | Torres-Larrios, A, Dock-Bregeon, A.C, Romby, P, Rees, B, Sankaranarayanan, R, Caillet, J, Springer, M, Ehresmann, C, Ehresmann, B, Moras, D. | | Deposit date: | 2001-12-20 | | Release date: | 2002-04-26 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural basis of translational control by Escherichia coli threonyl tRNA synthetase.
Nat.Struct.Biol., 9, 2002
|
|
5CW2
 | |
4KTR
 | | Crystal structure of 2-O-alpha-glucosylglycerol phosphorylase in complex with isofagomine and glycerol | | Descriptor: | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | | Authors: | Touhara, K.K, Nihira, T, Kitaoka, M, Nakai, H, Fushinobu, S. | | Deposit date: | 2013-05-21 | | Release date: | 2014-05-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for reversible phosphorolysis and hydrolysis reactions of 2-O-alpha-glucosylglycerol phosphorylase
J.Biol.Chem., 289, 2014
|
|
3MXT
 | | Crystal Structure of Pantoate-Beta-alanine Ligase from Campylobacter jejuni | | Descriptor: | CHLORIDE ION, FORMIC ACID, GLYCEROL, ... | | Authors: | Kim, Y, Zhou, M, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-05-07 | | Release date: | 2010-06-16 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of Pantoate-Beta-alanine Ligase from Campylobacter jejuni
To be Published
|
|
6IC2
 | | Polypharmacology of Epacadostat: a Potent and Selective Inhibitor of the Tumor Associated Carbonic Anhydrases IX and XII | | Descriptor: | Carbonic anhydrase 2, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, ZINC ION | | Authors: | Angeli, A, Ferraroni, M, Supuran, C.T, Carta, F. | | Deposit date: | 2018-12-01 | | Release date: | 2019-05-15 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Polypharmacology of epacadostat: a potent and selective inhibitor of the tumor associated carbonic anhydrases IX and XII.
Chem.Commun.(Camb.), 55, 2019
|
|
6GK0
 | | HUMAN DIHYDROOROTATE DEHYDROGENASE IN COMPLEX WITH CLASS III HISTONE DEACETYLASE INHIBITOR | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide, ACETIC ACID, ... | | Authors: | Hakansson, M, Ladds, M.J.G.W, Walse, B, Lain, S. | | Deposit date: | 2018-05-17 | | Release date: | 2019-11-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Exploitation of dihydroorotate dehydrogenase (DHODH) and p53 activation as therapeutic targets: A case study in polypharmacology.
J.Biol.Chem., 295, 2020
|
|
3N0F
 | |
5B0N
 | | Structure of Shigella effector LRR domain | | Descriptor: | E3 ubiquitin-protein ligase ipaH9.8 | | Authors: | Takagi, K, Sasakawa, C, Kim, M, Mizushima, T. | | Deposit date: | 2015-11-02 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the substrate-recognition domain of the Shigella E3 ligase IpaH9.8
Acta Crystallogr.,Sect.F, 72, 2016
|
|
5B0T
 | | Structure of Shigella effector LRR domain | | Descriptor: | E3 ubiquitin-protein ligase ipaH9.8 | | Authors: | Takagi, K, Sasakawa, C, Kim, M, Mizushima, T. | | Deposit date: | 2015-11-04 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the substrate-recognition domain of the Shigella E3 ligase IpaH9.8
Acta Crystallogr.,Sect.F, 72, 2016
|
|
6IMA
 | | Crystal Structure of ALKBH1 without alpha-1 (N37-C369) | | Descriptor: | CITRIC ACID, Nucleic acid dioxygenase ALKBH1 | | Authors: | Zhang, M, Yang, S, Zhao, W, Li, H. | | Deposit date: | 2018-10-22 | | Release date: | 2020-01-22 | | Last modified: | 2020-04-08 | | Method: | X-RAY DIFFRACTION (2.593 Å) | | Cite: | Mammalian ALKBH1 serves as an N6-mA demethylase of unpairing DNA.
Cell Res., 30, 2020
|
|
1KTO
 | |
4KOA
 | | Crystal Structure Analysis of 1,5-anhydro-D-fructose reductase from Sinorhizobium meliloti | | Descriptor: | 1,5-anhydro-D-fructose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Schu, M, Faust, A, Stosik, B, Kohring, G.-W, Giffhorn, F, Scheidig, A.J. | | Deposit date: | 2013-05-11 | | Release date: | 2013-08-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The structure of substrate-free 1,5-anhydro-D-fructose reductase from Sinorhizobium meliloti 1021 reveals an open enzyme conformation.
Acta Crystallogr.,Sect.F, 69, 2013
|
|
6GNX
 | | Crystal structure of the MAJIN-TERB2 heterotetrameric complex - selenomethionine derivative | | Descriptor: | Membrane-anchored junction protein, Telomere repeats-binding bouquet formation protein 2 | | Authors: | Gurusaran, M, Dunce, J.M, Sen, L.T, Davies, O.R. | | Deposit date: | 2018-06-01 | | Release date: | 2018-12-12 | | Last modified: | 2020-04-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis of meiotic telomere attachment to the nuclear envelope by MAJIN-TERB2-TERB1.
Nat Commun, 9, 2018
|
|
5B1B
 | | Bovine heart cytochrome c oxidase in the fully reduced state at 1.6 angstrom resolution | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | | Authors: | Yano, N, Muramoto, K, Shimada, A, Takemura, S, Baba, J, Fujisawa, H, Mochizuki, M, Shinzawa-Itoh, K, Yamashita, E, Tsukihara, T, Yoshikawa, S. | | Deposit date: | 2015-12-01 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Mg2+-containing Water Cluster of Mammalian Cytochrome c Oxidase Collects Four Pumping Proton Equivalents in Each Catalytic Cycle.
J.Biol.Chem., 291, 2016
|
|
1KU2
 | | Crystal Structure of Thermus aquaticus RNA Polymerase Sigma Subunit Fragment Containing Regions 1.2 to 3.1 | | Descriptor: | SULFATE ION, sigma factor sigA | | Authors: | Campbell, E.A, Muzzin, O, Chlenov, M, Sun, J.L, Olson, C.A, Weinman, O, Trester-Zedlitz, M.L, Darst, S.A. | | Deposit date: | 2002-01-21 | | Release date: | 2002-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the bacterial RNA polymerase promoter specificity sigma subunit.
Mol.Cell, 9, 2002
|
|
5B6P
 | | Structure of the dodecameric type-II dehydrogenate dehydratase from Acinetobacter baumannii at 2.00 A resolution | | Descriptor: | 3-dehydroquinate dehydratase, SULFATE ION | | Authors: | Kumar, M, Iqbal, N, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2016-05-31 | | Release date: | 2016-09-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Binding studies and structure determination of the recombinantly produced type-II 3-dehydroquinate dehydratase from Acinetobacter baumannii.
Int. J. Biol. Macromol., 94, 2017
|
|
4KOS
 | | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with Cefmetazole | | Descriptor: | (6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia -1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 1,2-ETHANEDIOL, SULFATE ION, ... | | Authors: | Majorek, K.A, Chruszcz, M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2013-05-12 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural, Functional, and Inhibition Studies of a Gcn5-related N-Acetyltransferase (GNAT) Superfamily Protein PA4794: A NEW C-TERMINAL LYSINE PROTEIN ACETYLTRANSFERASE FROM PSEUDOMONAS AERUGINOSA.
J.Biol.Chem., 288, 2013
|
|
