5M05
 
 | | Chicken smooth muscle myosin motor domain co-crystallized with the specific CK-571 inhibitor, MgADP form | | Descriptor: | 4-{[(2-chloro-3-fluorobenzyl)carbamoyl](methyl)amino}-3,4-dideoxy-5-O-(isoquinolin-3-ylcarbamoyl)-D-erythro-pentitol, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Sirigu, S, Hartman, J, Houdusse, A. | | Deposit date: | 2016-10-03 | | Release date: | 2016-11-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.675 Å) | | Cite: | Highly selective inhibition of myosin motors provides the basis of potential therapeutic application.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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6I3S
 | | Crystal structure of MDM2 in complex with compound 13. | | Descriptor: | (3~{S},3'~{R},3'~{a}~{S},6'~{a}~{R})-6-chloranyl-3'-(3-chloranyl-2-fluoranyl-phenyl)-1'-(cyclopropylmethyl)spiro[1~{H}-indole-3,2'-3~{a},6~{a}-dihydro-3~{H}-pyrrolo[3,4-b]pyrrole]-2,4'-dione, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ... | | Authors: | Bader, G, Kessler, D. | | Deposit date: | 2018-11-07 | | Release date: | 2018-12-19 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Targeted Synthesis of Complex Spiro[3H-indole-3,2'-pyrrolidin]-2(1H)-ones by Intramolecular Cyclization of Azomethine Ylides: Highly Potent MDM2-p53 Inhibitors.
ChemMedChem, 14, 2019
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4RE9
 | | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound 71290 | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-fluoro-N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-5-yl}methyl)benzamide, ... | | Authors: | Liang, W.G, Deprez, R, Deprez, B, Tang, W.J. | | Deposit date: | 2014-09-22 | | Release date: | 2015-09-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.908 Å) | | Cite: | Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015
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8PWC
 | | Crystal structure of MDM2 with Brigimadlin | | Descriptor: | Brigimadlin, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Bader, G, Wolkerstorfer, B. | | Deposit date: | 2023-07-20 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.461 Å) | | Cite: | Discovery and Characterization of Brigimadlin, a Novel and Highly Potent MDM2-p53 Antagonist Suitable for Intermittent Dose Schedules.
Mol.Cancer Ther., 2024
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4NXO
 | | Crystal Structure of Insulin Degrading Enzyme in complex with BDM44768 | | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Liang, W.G, Deprez, R, Deprez, B, Tang, W. | | Deposit date: | 2013-12-09 | | Release date: | 2015-10-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015
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6GTM
 | | Crystal structure of SmbA in complex with ppGpp. | | Descriptor: | GUANOSINE-5',3'-TETRAPHOSPHATE, SmbA | | Authors: | Dubey, B.N, Schirmer, T. | | Deposit date: | 2018-06-18 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Reciprocal growth control by competitive binding of nucleotide second messengers to a metabolic switch in Caulobacter crescentus
Nat Microbiol, 2021
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4IFH
 | | Crystal structure of human insulin degrading enzyme (IDE) in complex with compound BDM44619 | | Descriptor: | Insulin-degrading enzyme, N-({1-[(2R)-4-(hydroxyamino)-1-(naphthalen-2-yl)-4-oxobutan-2-yl]-1H-1,2,3-triazol-4-yl}methyl)-4-methylbenzamide, ZINC ION | | Authors: | Liang, W.G, Guo, Q, Deprez, R, Deprez, B, Tang, W. | | Deposit date: | 2012-12-14 | | Release date: | 2013-12-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.286 Å) | | Cite: | Catalytic site inhibition of insulin-degrading enzyme by a small molecule induces glucose intolerance in mice.
Nat Commun, 6, 2015
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6GS8
 | | Crystal structure of SmbA in complex with c-di-GMP | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, Uncharacterized protein | | Authors: | Dubey, B.N, Schirmer, T. | | Deposit date: | 2018-06-13 | | Release date: | 2019-07-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Reciprocal growth control by competitive binding of nucleotide second messengers to a metabolic switch in Caulobacter crescentus
Nat Microbiol, 2021
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9BWT
 | | human sodium chloride cotransporter NCC S344E in the phosphorylation state and in complex with hydrochlorothiazide | | Descriptor: | 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide, ADENOSINE-5'-TRIPHOSPHATE, Solute carrier family 12 member 3 | | Authors: | Cao, E.H, Zhao, Y.X. | | Deposit date: | 2024-05-21 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural bases for Na + -Cl - cotransporter inhibition by thiazide diuretic drugs and activation by kinases.
Nat Commun, 15, 2024
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8VPN
 | | Phosphorylated human NCC in complex with indapamide | | Descriptor: | 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide, ADENOSINE-5'-TRIPHOSPHATE, Solute carrier family 12 member 3 | | Authors: | Zhao, Y.X, Cao, E.H. | | Deposit date: | 2024-01-16 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural bases for Na + -Cl - cotransporter inhibition by thiazide diuretic drugs and activation by kinases.
Nat Commun, 15, 2024
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8VPP
 | | Phosphorylated human NCC in complex with chlorthalidone | | Descriptor: | 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide, Solute carrier family 12 member 3 | | Authors: | Zhao, Y.X, Cao, E.H. | | Deposit date: | 2024-01-16 | | Release date: | 2024-09-04 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural bases for Na + -Cl - cotransporter inhibition by thiazide diuretic drugs and activation by kinases.
Nat Commun, 15, 2024
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1PJX
 | | 0.85 ANGSTROM STRUCTURE OF SQUID GANGLION DFPASE | | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, ... | | Authors: | Koepke, J, Rueterjans, H, Luecke, C, Fritzsch, G. | | Deposit date: | 2003-06-04 | | Release date: | 2004-06-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (0.85 Å) | | Cite: | Statistical analysis of crystallographic data obtained from squid ganglion DFPase at 0.85 A resolution.
Acta Crystallogr.,Sect.D, 59, 2003
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2IAT
 | | Crystal structure of squid ganglion DFPase W244L mutant | | Descriptor: | CALCIUM ION, Diisopropylfluorophosphatase | | Authors: | Scharff, E.I, Koepke, J, Fritzsch, G, Luecke, C, Rueterjans, H. | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of diisopropylfluorophosphatase from Loligo vulgaris
Structure, 9, 2001
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2IAO
 | | Crystal structure of squid ganglion DFPase E37Q mutant | | Descriptor: | CALCIUM ION, DIISOPROPYLFLUOROPHOSPHATASE | | Authors: | Scharff, E.I, Koepke, J, Fritzsch, G, Luecke, C, Rueterjans, H. | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of diisopropylfluorophosphatase from Loligo vulgaris
Structure, 9, 2001
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2IAV
 | | Crystal structure of squid ganglion DFPase H287A mutant | | Descriptor: | CALCIUM ION, Diisopropylfluorophosphatase | | Authors: | Katsemi, V, Luecke, C, Koepke, J, Loehr, F, Maurer, S, Fritzsch, G, Rueterjans, H. | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Mutational and structural studies of the diisopropylfluorophosphatase from Loligo vulgaris shed new light on the catalytic mechanism of the enzyme
Biochemistry, 44, 2005
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2IAS
 | | Crystal structure of squid ganglion DFPase W244F mutant | | Descriptor: | CALCIUM ION, Diisopropylfluorophosphatase | | Authors: | Scharff, E.I, Koepke, J, Fritzsch, G, Luecke, C, Rueterjans, H. | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of diisopropylfluorophosphatase from Loligo vulgaris
Structure, 9, 2001
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2IAX
 | | Crystal structure of squid ganglion DFPase D232S mutant | | Descriptor: | CALCIUM ION, Diisopropylfluorophosphatase | | Authors: | Katsemi, V, Luecke, C, Koepke, J, Loehr, F, Maurer, S, Fritzsch, G, Rueterjans, H. | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Mutational and structural studies of the diisopropylfluorophosphatase from Loligo vulgaris shed new light on the catalytic mechanism of the enzyme
Biochemistry, 44, 2005
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2IAR
 | | Crystal structure of squid ganglion DFPase W244H mutant | | Descriptor: | CALCIUM ION, Diisopropylfluorophosphatase | | Authors: | Scharff, E.I, Koepke, J, Fritzsch, G, Luecke, C, Rueterjans, H. | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of diisopropylfluorophosphatase from Loligo vulgaris
Structure, 9, 2001
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2IAQ
 | | Crystal structure of squid ganglion DFPase S271A mutant | | Descriptor: | CALCIUM ION, Diisopropylfluorophosphatase | | Authors: | Scharff, E.I, Koepke, J, Fritzsch, G, Luecke, C, Rueterjans, H. | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of diisopropylfluorophosphatase from Loligo vulgaris
Structure, 9, 2001
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2IAW
 | | Crystal structure of squid ganglion DFPase N175D mutant | | Descriptor: | CALCIUM ION, Diisopropylfluorophosphatase | | Authors: | Katsemi, V, Luecke, C, Koepke, J, Loehr, F, Maurer, S, Fritzsch, G, Rueterjans, H. | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Mutational and structural studies of the diisopropylfluorophosphatase from Loligo vulgaris shed new light on the catalytic mechanism of the enzyme
Biochemistry, 44, 2005
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2IAP
 | | Crystal structure of squid ganglion DFPase E21Q mutant | | Descriptor: | CALCIUM ION, Diisopropylfluorophosphatase | | Authors: | Scharff, E.I, Koepke, J, Fritzsch, G, Luecke, C, Rueterjans, H. | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of diisopropylfluorophosphatase from Loligo vulgaris
Structure, 9, 2001
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2IAU
 | | Crystal structure of squid ganglion DFPase W244Y mutant | | Descriptor: | CALCIUM ION, Diisopropylfluorophosphatase | | Authors: | Scharff, E.I, Koepke, J, Fritzsch, G, Luecke, C, Rueterjans, H. | | Deposit date: | 2006-09-08 | | Release date: | 2006-09-26 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of diisopropylfluorophosphatase from Loligo vulgaris
Structure, 9, 2001
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6I5A
 | | Tobacco Mosaic Virus | | Descriptor: | Capsid protein | | Authors: | Song, B, Flegler, V, Makbul, C, Rasmussen, T, Bottcher, B. | | Deposit date: | 2018-11-13 | | Release date: | 2019-02-20 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Capabilities of the Falcon III detector for single-particle structure determination.
Ultramicroscopy, 203, 2019
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8Q6N
 | | Xanthin riboswitch in complex with oxypurinol | | Descriptor: | Oxypurinol, Xanthin riboswitch NMT-46 (46-MER) | | Authors: | Nar, H. | | Deposit date: | 2023-08-14 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Artificial oxypurinol-responsive riboswitches for gene expression control in mammalian cells based on bacterial xanthine aptamers
To Be Published
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5E4M
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