6EOM
| Structure of DPP III from Caldithrix abyssi | Descriptor: | 1,2-ETHANEDIOL, ALANINE, CHLORIDE ION, ... | Authors: | Sabljic, I. | Deposit date: | 2017-10-10 | Release date: | 2018-03-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | The first dipeptidyl peptidase III from a thermophile: Structural basis for thermal stability and reduced activity. PLoS ONE, 13, 2018
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6ZOI
| A lid blocking mechanism of a cone snail toxin revealed at the atomic level | Descriptor: | Conknunitzin-C3 mutante | Authors: | Saikia, C, Altman-Gueta, H, Dym, O, Frolow, F, Gurevitz, M, Gordon, D, Reuveny, E, Karbat, I. | Deposit date: | 2020-07-07 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | A lid blocking mechanism of a cone snail toxin revealed at the atomic level To Be Published
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6ZRE
| Deciphering the role of the channel constrictions in the opening mechanism of MexAB-OprM efflux pump from Pseudomonas aeruginosa | Descriptor: | Outer membrane protein OprM, PALMITIC ACID, SULFATE ION, ... | Authors: | Ntsogo Enguene, Y.V, Monlezun, L, Ma, M, Garnier, C, Lascombe, M.B, Salem, M, Guenard, S, Plesiat, P, Llanes, C, Phan, G, Broutin, I. | Deposit date: | 2020-07-13 | Release date: | 2021-07-28 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Deciphering the role of OprM constrictions in the opening mechanism of the MexAB-OprM efflux pump from Pseudomonas aeruginosa. To Be Published
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6S3K
| KimA from Bacillus subtilis in inward-facing, occluded state | Descriptor: | APC family permease, POTASSIUM ION | Authors: | Tascon, I, Sousa, J.S, Vonck, J, Haenelt, I. | Deposit date: | 2019-06-25 | Release date: | 2020-02-12 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis of proton-coupled potassium transport in the KUP family. Nat Commun, 11, 2020
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8G5B
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6RHG
| Structure of Chloroflexus aggregans Cagg_3753 LOV domain | Descriptor: | FLAVIN MONONUCLEOTIDE, GLYCEROL, Multi-sensor hybrid histidine kinase | Authors: | Nazarenko, V.V, Remeeva, A, Yudenko, A, Kovalev, K, Gordeliy, V, Gushchin, I. | Deposit date: | 2019-04-19 | Release date: | 2019-05-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | A thermostable flavin-based fluorescent protein from Chloroflexus aggregans: a framework for ultra-high resolution structural studies. Photochem. Photobiol. Sci., 18, 2019
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4R8F
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8G5X
| Structure of the Class II Fructose-1,6-Bisphophatase from Francisella tularensis complexed with native metal cofactor Mn++ and substrate Fructose-1,6-Bisphosphate | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, GLYCEROL, ... | Authors: | Abad-Zapatero, C, Selezneva, A.I. | Deposit date: | 2023-02-14 | Release date: | 2023-06-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | New structures of Class II Fructose-1,6-Bisphosphatase from Francisella tularensis provide a framework for a novel catalytic mechanism for the entire class. Plos One, 18, 2023
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8G5W
| Structure of the Class II Fructose-1,6-Bisphophatase from Francisella tularensis complexed with native metal cofactor Mn++ | Descriptor: | Fructose-1,6-bisphosphatase, GLYCEROL, MANGANESE (II) ION | Authors: | Abad-Zapatero, C, Selezneva, A.I. | Deposit date: | 2023-02-14 | Release date: | 2023-06-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | New structures of Class II Fructose-1,6-Bisphosphatase from Francisella tularensis provide a framework for a novel catalytic mechanism for the entire class. Plos One, 18, 2023
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7MC9
| X-RAY STRUCTURE OF PEDV PAPAIN-LIKE PROTEASE 2 bound to UB-PA | Descriptor: | 3C-like proteinase, Ubiquitin, ZINC ION, ... | Authors: | Durie, I.A, Dzimianski, J.V, Daczkowski, C.M, Pegan, S.D. | Deposit date: | 2021-04-01 | Release date: | 2021-07-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.099 Å) | Cite: | Structural insights into the interaction of papain-like protease 2 from the alphacoronavirus porcine epidemic diarrhea virus and ubiquitin Acta Cryst. D, 77, 2021
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5BVW
| Fragment-based discovery of potent and selective DDR1/2 inhibitors | Descriptor: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | Authors: | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | Deposit date: | 2015-06-05 | Release date: | 2015-08-05 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors. Acs Med.Chem.Lett., 6, 2015
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4RCO
| 1.9 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX. | Descriptor: | CHLORIDE ION, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-alpha-D-glucopyranose, Putative uncharacterized protein | Authors: | Minasov, G, Nocadello, S, Shuvalova, L, Filippova, E, Halavaty, A, Dubrovska, I, Flores, K, Bagnoli, F, Falugi, F, Bottomley, M, Grandi, G, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2014-09-16 | Release date: | 2014-10-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | 1.9 Angstrom Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus, in Complex with Sialyl-LewisX. TO BE PUBLISHED
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6E9A
| HIV-1 WILD TYPE PROTEASE WITH GRL-034-17A, (3aS, 5R, 6aR)-2-OXOHEXAHYD CYCLOPENTA[D]-5-OXAZOLYL URETHANE WITH A BICYCLIC OXAZOLIDINONE SCAFF AS THE P2 LIGAND | Descriptor: | (3aS,5R,6aR)-2-oxohexahydro-2H-cyclopenta[d][1,3]oxazol-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, CHLORIDE ION, FORMIC ACID, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2018-07-31 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Design and Synthesis of Potent HIV-1 Protease Inhibitors Containing Bicyclic Oxazolidinone Scaffold as the P2 Ligands: Structure-Activity Studies and Biological and X-ray Structural Studies. J. Med. Chem., 61, 2018
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7A0H
| Structure of homodimeric actin capping protein alpha subunit from Plasmodium berghei | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BROMIDE ION, F-actin-capping protein subunit alpha, ... | Authors: | Bendes, A.A, Kursula, P, Kursula, I. | Deposit date: | 2020-08-09 | Release date: | 2021-08-18 | Last modified: | 2022-02-23 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Structure and function of an atypical homodimeric actin capping protein from the malaria parasite. Cell.Mol.Life Sci., 79, 2022
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8GR2
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5JUL
| Near atomic structure of the Dark apoptosome | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Apaf-1 related killer DARK | Authors: | Cheng, T.C, Akey, I.V, Yuan, S, Yu, Z, Ludtke, S.J, Akey, C.W. | Deposit date: | 2016-05-10 | Release date: | 2017-02-22 | Last modified: | 2019-12-25 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | A Near-Atomic Structure of the Dark Apoptosome Provides Insight into Assembly and Activation. Structure, 25, 2017
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5BVK
| Fragment-based discovery of potent and selective DDR1/2 inhibitors | Descriptor: | 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea, Epithelial discoidin domain-containing receptor 1, IODIDE ION | Authors: | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | Deposit date: | 2015-06-05 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5BVO
| Fragment-based discovery of potent and selective DDR1/2 inhibitors | Descriptor: | Epithelial discoidin domain-containing receptor 1, IODIDE ION, N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide | Authors: | Murray, C, Berdini, V, Buck, I, Carr, M, Cleasby, A, Coyle, J, Curry, J, Day, J, Hearn, K, Iqbal, A, Lee, L, Martins, V, Mortenson, P, Munck, J, Page, L, Patel, S, Roomans, S, Kirsten, T, Saxty, G. | Deposit date: | 2015-06-05 | Release date: | 2015-08-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5K8A
| NIST FAB | Descriptor: | Heavy chain, humanized Fab Lite chain | Authors: | Gallagher, D.T, Galvin, C.V, Karageorgos, I, Marino, J.P. | Deposit date: | 2016-05-27 | Release date: | 2017-08-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Data on crystal organization in the structure of the Fab fragment from the NIST reference antibody, RM 8671. Data Brief, 16, 2018
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5C9J
| Human CD1c with ligands in A' and F' channel | Descriptor: | Beta-2-microglobulin, GLYCEROL, LAURIC ACID, ... | Authors: | Tews, I, Machelett, M.M, Mansour, S, Gadola, S.D. | Deposit date: | 2015-06-27 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cholesteryl esters stabilize human CD1c conformations for recognition by self-reactive T cells. Proc.Natl.Acad.Sci.USA, 113, 2016
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8APN
| Structure of the mitochondrial ribosome from Polytomella magna with tRNA bound to the P site | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Hypothetical protein, MAGNESIUM ION, ... | Authors: | Tobiasson, V, Berzina, I, Amunts, A. | Deposit date: | 2022-08-10 | Release date: | 2022-11-16 | Last modified: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structure of a mitochondrial ribosome with fragmented rRNA in complex with membrane-targeting elements. Nat Commun, 13, 2022
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8GQ0
| Crystal structure of BRD4 bromodomain 1 (BD1) in complex with STL233497 | Descriptor: | Bromodomain-containing protein 4, FORMIC ACID, GLYCEROL, ... | Authors: | Park, T.H, Lee, B.I. | Deposit date: | 2022-08-27 | Release date: | 2023-01-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Crystal structure of [1,2,4]triazolo[4,3-b]pyridazine derivatives as BRD4 bromodomain inhibitors and structure-activity relationship study. Sci Rep, 13, 2023
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1N4K
| Crystal structure of the inositol 1,4,5-trisphosphate receptor binding core in complex with IP3 | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 1 | Authors: | Bosanac, I, Alattia, J.R, Mal, T.K, Chan, J, Talarico, S, Tong, F.K, Tong, K.I, Yoshikawa, F, Furuichi, T, Iwai, M, Michikawa, T, Mikoshiba, K, Ikura, M. | Deposit date: | 2002-10-31 | Release date: | 2002-12-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of the inositol 1,4,5-trisphosphate receptor
binding core in complex with its ligand. Nature, 420, 2002
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7AC6
| Structure of sponge-phase grown PepTst2 collected by rotation serial crystallography on a COC membrane at a synchrotron source | Descriptor: | (2S)-2,3-DIHYDROXYPROPYL(7Z)-PENTADEC-7-ENOATE, 2-(2-METHOXYETHOXY)ETHANOL, Di-or tripeptide:H+ symporter, ... | Authors: | Martiel, I, Padeste, C, Karpik, A, Huang, C.Y, Wang, M, Marsh, M. | Deposit date: | 2020-09-10 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Versatile microporous polymer-based supports for serial macromolecular crystallography. Acta Crystallogr D Struct Biol, 77, 2021
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7AC5
| Structure of Tubulin Darpin complex 1 collected by rotation serial crystallography on a COC membrane at a synchrotron source | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Martiel, I, Olieric, N, Wranik, M, Padeste, C, Karpik, A, Huang, C.Y, Wang, M, Marsh, M. | Deposit date: | 2020-09-10 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Versatile microporous polymer-based supports for serial macromolecular crystallography. Acta Crystallogr D Struct Biol, 77, 2021
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