2B7R
 
 | | Structure of E378D mutant flavocytochrome c3 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FUMARIC ACID, Fumarate reductase flavoprotein subunit, ... | | Authors: | Pankhurst, K.L, Mowat, C.G, Rothery, E.L, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K. | | Deposit date: | 2005-10-05 | | Release date: | 2006-05-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | A Proton Delivery Pathway in the Soluble Fumarate Reductase from Shewanella frigidimarina.
J.Biol.Chem., 281, 2006
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5WEF
 | | Crystal structure of the influenza virus PA endonuclease (F105S mutant) in complex with inhibitor 7a (SRI-29770) | | Descriptor: | 1,2-ETHANEDIOL, 2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide, MANGANESE (II) ION, ... | | Authors: | Kumar, G, White, S.W. | | Deposit date: | 2017-07-09 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Protein-Structure Assisted Optimization of 4,5-Dihydroxypyrimidine-6-Carboxamide Inhibitors of Influenza Virus Endonuclease.
Sci Rep, 7, 2017
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6X3K
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8F4Y
 | | Crystal Structure of SARS-CoV-2 2'-O-Methyltransferase in Complex with Compound 5a covalently bound to nsp16 and nsp10 | | Descriptor: | 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, 4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol, ... | | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-11-11 | | Release date: | 2023-10-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors.
Acs Infect Dis., 9, 2023
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5L74
 | | Plexin A2 extracellular segment domains 4-5 (PSI2-IPT2), resolution 1.36 Angstrom | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Plexin-A2, ... | | Authors: | Kong, Y, Janssen, B.J.C, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | | Deposit date: | 2016-06-01 | | Release date: | 2017-03-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
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8F4S
 | | Crystal Structure of the SARS-CoV-2 2'-O-Methyltransferase with Compound 5a bound to the Cryptic Pocket of nsp16 | | Descriptor: | 2'-O-methyltransferase, 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol, FORMIC ACID, ... | | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Rosas-Lemus, M, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2022-11-11 | | Release date: | 2023-10-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of a Druggable, Cryptic Pocket in SARS-CoV-2 nsp16 Using Allosteric Inhibitors.
Acs Infect Dis., 9, 2023
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6WYE
 | | Crystal structure of Neisseria gonorrhoeae serine acetyltransferase (CysE) | | Descriptor: | (2S)-2-hydroxybutanedioic acid, SODIUM ION, Serine acetyltransferase | | Authors: | Hicks, J.L, Oldham, K.E, Summers, E.L, Prentice, E.J. | | Deposit date: | 2020-05-12 | | Release date: | 2021-06-09 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Serine acetyltransferase from Neisseria gonorrhoeae; structural and biochemical basis of inhibition.
Biochem.J., 479, 2022
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8EU1
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5WKI
 | | Crystal structure of PG90 TCR-CD1b-PG complex | | Descriptor: | (19S,22R,25R)-22,25,26-trihydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphahexacosan-19-yl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Shahine, A, Gras, S, Rossjohn, J. | | Deposit date: | 2017-07-25 | | Release date: | 2017-11-01 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A molecular basis of human T cell receptor autoreactivity toward self-phospholipids.
Sci Immunol, 2, 2017
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8ETY
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8ETK
 | | Bile salt hydrolase A from Lactobacillus gasseri bound to covalent probe | | Descriptor: | (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name), Conjugated bile salt hydrolase, SODIUM ION | | Authors: | Walker, M.E, Grundy, M.K, Redinbo, M.R. | | Deposit date: | 2022-10-17 | | Release date: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
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8ETZ
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8EU0
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8ETX
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5KWS
 | | Crystal Structure of Galactose Binding Protein from Yersinia pestis in the Complex with beta D Glucose | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ... | | Authors: | Kim, Y, Maltseva, N, Mulligan, R, Grimshaw, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-07-19 | | Release date: | 2016-08-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.316 Å) | | Cite: | Crystal Structure of Galactose Binding Protein from Yersinia pestis in the Complex with beta D Glucose
To Be Published
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8EWT
 | | Bile salt hydrolase A from Lactobacillus gasseri bound to covalent probe | | Descriptor: | (5R)-5-{(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-[(prop-2-yn-1-yl)oxy]hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-1-fluorohexan-2-one (non-preferred name), Conjugated bile salt hydrolase, SODIUM ION | | Authors: | Walker, M.E, Redinbo, M.R. | | Deposit date: | 2022-10-24 | | Release date: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structural diversity of bile salt hydrolases reveals rationale for substrate selectivity
To Be Published
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8EY3
 | | Contact-dependent growth inhibition (CDI) immunity protein from E. coli O32:H37 | | Descriptor: | Cys_rich_CPCC domain-containing protein, FE (III) ION, SODIUM ION | | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Goulding, C.W, Hayes, C.S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-10-26 | | Release date: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Contact-dependent growth inhibition (CDI) immunity protein from E. coli O32:H37
To Be Published
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5L7I
 | | Structure of human Smoothened in complex with Vismodegib | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, SODIUM ION, ... | | Authors: | Byrne, E.X.B, Sircar, R, Miller, P.S, Hedger, G, Luchetti, G, Nachtergaele, S, Tully, M.D, Mydock-McGrane, L, Covey, D.F, Rambo, R.F, Sansom, M.S.P, Newstead, S, Rohatgi, R, Siebold, C. | | Deposit date: | 2016-06-03 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis of Smoothened regulation by its extracellular domains.
Nature, 535, 2016
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1SUE
 | | SUBTILISIN BPN' FROM BACILLUS AMYLOLIQUEFACIENS, MUTANT | | Descriptor: | DIISOPROPYL PHOSPHONATE, SODIUM ION, SUBTILISIN BPN' | | Authors: | Gallagher, D.T, Bryan, P, Pan, Q, Gilliland, G.L. | | Deposit date: | 1998-02-17 | | Release date: | 1998-10-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanism of ionic strength dependence of crystal growth rates in a subtilisin variant.
J.Cryst.Growth, 193, 1998
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6X9H
 | | Molecular mechanism and structural basis of small-molecule modulation of acid-sensing ion channel 1 (ASIC1) | | Descriptor: | 2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel 1, ... | | Authors: | Liu, Y, Ma, J, DesJarlais, R.L, Hagan, R, Rech, J, Lin, D, Liu, C, Miller, R, Schoellerman, J, Luo, J, Letavic, M, Grasberger, B, Maher, M. | | Deposit date: | 2020-06-02 | | Release date: | 2020-12-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Molecular mechanism and structural basis of small-molecule modulation of the gating of acid-sensing ion channel 1.
Commun Biol, 4, 2021
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2B9W
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8EYP
 | | Joint X-ray/neutron structure of Salmonella typhimurium tryptophan synthase internal aldimine from microgravity-grown crystal | | Descriptor: | SODIUM ION, Tryptophan synthase alpha chain, Tryptophan synthase beta chain | | Authors: | Drago, V.N, Kovalevsky, A, Blakeley, M.P, Forsyth, V.T, Mueser, T.C. | | Deposit date: | 2022-10-28 | | Release date: | 2024-02-14 | | Last modified: | 2024-05-08 | | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | | Cite: | Neutron diffraction from a microgravity-grown crystal reveals the active site hydrogens of the internal aldimine form of tryptophan synthase.
Cell Rep Phys Sci, 5, 2024
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8EZC
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2B22
 | | Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat | | Descriptor: | General control protein GCN4, SODIUM ION | | Authors: | Deng, Y, Liu, J, Zheng, Q, Eliezer, D, Kallenbach, N.R, Lu, M. | | Deposit date: | 2005-09-16 | | Release date: | 2006-01-31 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Antiparallel four-stranded coiled coil specified by a 3-3-1 hydrophobic heptad repeat.
Structure, 14, 2006
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8F5A
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