4QJ5
| Structure of a fragment of human phospholipase C-beta3 delta472-581, bound to IP3 and in complex with Galphaq | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, ... | Authors: | Lyon, A.M, Tesmer, J.J.G. | Deposit date: | 2014-06-03 | Release date: | 2014-10-22 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | Molecular mechanisms of phospholipase C beta 3 autoinhibition. Structure, 22, 2014
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4QL0
| Crystal Structure Analysis of the Membrane Transporter FhaC (double mutant V169T, I176N) | Descriptor: | DI(HYDROXYETHYL)ETHER, Filamentous hemagglutinin transporter protein FhaC, HEXAETHYLENE GLYCOL, ... | Authors: | Maier, T, Clantin, B, Gruss, F, Dewitte, F, Delattre, A.S, Jacob-Dubuisson, F, Hiller, S, Villeret, V. | Deposit date: | 2014-06-10 | Release date: | 2015-06-17 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Conserved Omp85 lid-lock structure and substrate recognition in FhaC Nat Commun, 6, 2015
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8GJ3
| E. coli clamp loader on primed template DNA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA polymerase III subunit delta, DNA polymerase III subunit delta', ... | Authors: | Oakley, A.J, Xu, Z.-Q, Dixon, N.E. | Deposit date: | 2023-03-14 | Release date: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural characterisation of the complete cycle of sliding clamp loading in E. coli To Be Published
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8GJ1
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8VL7
| Co-crystal structure of human TREX1 in complex with an inhibitor | Descriptor: | (2P)-2-[3-bromo-2-(2-hydroxyethoxy)phenyl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Dehghani-Tafti, S, Dong, A, Li, Y, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | Deposit date: | 2024-01-11 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Co-crystal structure of human TREX1 in complex with an inhibitor To be published
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6ARZ
| Structure of a phage anti-CRISPR protein | Descriptor: | BROMIDE ION, GLYCEROL, TETRAETHYLENE GLYCOL, ... | Authors: | Calmettes, C, Shah, M, Pawluk, A, Davidson, A.R, Maxwell, K.L, Moraes, T.F. | Deposit date: | 2017-08-23 | Release date: | 2018-08-29 | Last modified: | 2019-03-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Disabling a Type I-E CRISPR-Cas Nuclease with a Bacteriophage-Encoded Anti-CRISPR Protein. MBio, 8, 2017
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8GJ2
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8GJ0
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6EH5
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8V1F
| TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Fraser, B.J, Dong, A, Kutera, M, Seitova, A, Li, Y, Hutchinson, A, Edwards, A, Benard, F, Halabelian, L, Arrowsmith, C, Structural Genomics Consortium (SGC) | Deposit date: | 2023-11-20 | Release date: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | TMPRSS2 complexed with the noncovalent inhibitor 6-amidino-2-napthol To Be Published
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5MZK
| Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid | Descriptor: | 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Rowland, P. | Deposit date: | 2017-01-31 | Release date: | 2017-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis. J. Med. Chem., 60, 2017
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8KIF
| The structure of MmaE with substrate | Descriptor: | (3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid, FE (II) ION, Putative dioxygenase | Authors: | Chen, J, Zhou, J. | Deposit date: | 2023-08-23 | Release date: | 2024-04-17 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Variation in biosynthesis and metal-binding properties of isonitrile-containing peptides produced by Mycobacteria versus Streptomyces. Acs Catalysis, 14, 2024
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5MZQ
| X-ray structure of the M205W mutant of GLIC in complex with bromoform | Descriptor: | (3R)-3-(dodecanoyloxy)tetradecanoic acid, 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, ... | Authors: | Fourati, Z, Delarue, M. | Deposit date: | 2017-02-01 | Release date: | 2018-02-28 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels. Cell Rep, 23, 2018
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8KHT
| The structure of Rv0097 with substrate | Descriptor: | (3R)-3-(2-hydroxy-2-oxoethylamino)decanoic acid, FE (II) ION, Oxidoreductase | Authors: | Chen, J, Zhou, J. | Deposit date: | 2023-08-22 | Release date: | 2024-04-17 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Variation in biosynthesis and metal-binding properties of isonitrile-containing peptides produced by Mycobacteria versus Streptomyces. Acs Catalysis, 14, 2024
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4QDF
| Crystal structure of apo KshA5 and KshA1 in complex with 1,4-30Q-CoA from R. rhodochrous | Descriptor: | 3-ketosteroid 9alpha-hydroxylase oxygenase, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Penfield, J, Worrall, L.J, Strynadka, N.C, Eltis, L.D. | Deposit date: | 2014-05-13 | Release date: | 2014-07-30 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Substrate specificities and conformational flexibility of 3-ketosteroid 9 alpha-hydroxylases. J.Biol.Chem., 289, 2014
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5NCO
| Quaternary complex between SRP, SR, and SecYEG bound to the translating ribosome | Descriptor: | 23S rRNA, 4.5S SRP RNA (Ffs), 50S ribosomal protein L10, ... | Authors: | Jomaa, A, Hwang Fu, Y, Boerhinger, D, Leibundgut, M, Shan, S.O, Ban, N. | Deposit date: | 2017-03-06 | Release date: | 2017-05-24 | Last modified: | 2018-03-28 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Structure of the quaternary complex between SRP, SR, and translocon bound to the translating ribosome. Nat Commun, 8, 2017
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6YWH
| Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148D variant | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, FLAVIN MONONUCLEOTIDE, Multi-sensor hybrid histidine kinase, ... | Authors: | Remeeva, A, Nazarenko, V, Kovalev, K, Gushchin, I. | Deposit date: | 2020-04-29 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Insights into the mechanisms of light-oxygen-voltage domain color tuning from a set of high-resolution X-ray structures. Proteins, 2021
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2O3U
| Structural Basis for Formation and Hydrolysis of Calcium Messenger Cyclic ADP-ribose by Human CD38 | Descriptor: | 3-(AMINOCARBONYL)-1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(2-AMINO-6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)-3,4-DIHYD ROXYTETRAHYDROFURAN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]OXY}METHYL)-3,4-DIHYDROXYTETRAHYDROFURAN-2- YL]PYRIDINIUM, ADP-ribosyl cyclase 1 | Authors: | Liu, Q, Kriksunov, I.A, Graeff, R, Lee, H.C, Hao, Q. | Deposit date: | 2006-12-01 | Release date: | 2006-12-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structural basis for formation and hydrolysis of the calcium messenger cyclic ADP-ribose by human CD38 J.Biol.Chem., 282, 2007
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4QMO
| MST3 IN COMPLEX WITH Imidazolo-oxindole PKR inhibitor C16 | Descriptor: | (8Z)-8-(1H-imidazol-5-ylmethylidene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E. | Deposit date: | 2014-06-16 | Release date: | 2015-07-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3). Chemmedchem, 11, 2016
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8K4F
| DHODH in complex with compound A0 | Descriptor: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | Authors: | Jian, L, Sun, Q. | Deposit date: | 2023-07-18 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease. J.Med.Chem., 66, 2023
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6EMI
| Crystal structure of a variant of human butyrylcholinesterase expressed in bacteria. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cholinesterase, ... | Authors: | Brazzolotto, X, Igert, A, Guillon, V, Santoni, G, Nachon, F. | Deposit date: | 2017-10-02 | Release date: | 2017-11-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.476 Å) | Cite: | Bacterial Expression of Human Butyrylcholinesterase as a Tool for Nerve Agent Bioscavengers Development. Molecules, 22, 2017
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5NPE
| Crystal Structure of cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with beta Cyclophellitol Aziridine probe KY358 | Descriptor: | (1~{R},2~{S},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, OXALATE ION, ... | Authors: | Wu, L, Davies, G.J. | Deposit date: | 2017-04-16 | Release date: | 2017-08-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor. ACS Cent Sci, 3, 2017
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8EA9
| NKG2D complexed with inhibitor 4d | Descriptor: | DI(HYDROXYETHYL)ETHER, N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | Authors: | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | Deposit date: | 2022-08-28 | Release date: | 2023-05-03 | Last modified: | 2023-05-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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6YX8
| The structure of allophycocyanin from cyanobacterium Nostoc sp. WR13, the C2221 crystal form. | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ... | Authors: | Patel, H.M, Roszak, A.W, Madamwar, D, Cogdell, R.J. | Deposit date: | 2020-04-30 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.831 Å) | Cite: | The high resolution structure of allophycocyanin from cyanobacterium Nostoc sp. WR13 To Be Published
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6YX7
| The high resolution structure of allophycocyanin from cyanobacterium Nostoc sp. WR13, the P21212 crystal form. | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, ... | Authors: | Patel, H.M, Roszak, A.W, Madamwar, D, Cogdell, R.J. | Deposit date: | 2020-04-30 | Release date: | 2021-05-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.419 Å) | Cite: | The high resolution structure of allophycocyanin from cyanobacterium Nostoc sp. WR13 To Be Published
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