2WSL
 
 | | Aged Form of Human Butyrylcholinesterase Inhibited by Tabun Analogue TA4 | | Descriptor: | 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | | Deposit date: | 2009-09-08 | | Release date: | 2009-09-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun.
Biochem. J., 421, 2009
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4LPG
 | | Crystal structure of human FPPS in complex with CL01131 | | Descriptor: | ({[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}methanediyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, PHOSPHATE ION | | Authors: | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2013-07-16 | | Release date: | 2014-06-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.
J.Med.Chem., 57, 2014
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2NV3
 | | Solution structure of L8A mutant of HIV-1 myristoylated matrix protein | | Descriptor: | Gag polyprotein, MYRISTIC ACID | | Authors: | Saad, J.S, Loeliger, E, Luncsford, P, Liriano, M, Tai, J, Kim, A, Miller, J, Joshi, A, Freed, E.O, Summers, M.F. | | Deposit date: | 2006-11-10 | | Release date: | 2007-02-06 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Point mutations in the HIV-1 matrix protein turn off the myristyl switch.
J.Mol.Biol., 366, 2007
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6P46
 | | Cryo-EM structure of TMEM16F in digitonin with calcium bound | | Descriptor: | Anoctamin-6, CALCIUM ION | | Authors: | Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y. | | Deposit date: | 2019-05-26 | | Release date: | 2019-07-24 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling.
Cell Rep, 28, 2019
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6P4N
 | | Salmonella typhi PltB Homopentamer with Neu5Ac-alpha-2-6-Gal-beta-1-4-GlcNAc Glycans | | Descriptor: | N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Putative pertussis-like toxin subunit | | Authors: | Nguyen, T, Milano, S.K, Hillpot, E.C, Yang, Y.A, Song, J. | | Deposit date: | 2019-05-28 | | Release date: | 2020-03-25 | | Last modified: | 2020-08-05 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Salmonella Typhoid Toxin PltB Subunit and Its Non-typhoidal Salmonella Ortholog Confer Differential Host Adaptation and Virulence.
Cell Host Microbe, 27, 2020
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6P4S
 | | Salmonella typhi PltB Homopentamer T65I Mutant | | Descriptor: | Putative pertussis-like toxin subunit | | Authors: | Nguyen, T, Milano, S.K, Hillpot, E.C, Yang, Y.A, Song, J. | | Deposit date: | 2019-05-28 | | Release date: | 2020-03-25 | | Last modified: | 2020-08-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Salmonella Typhoid Toxin PltB Subunit and Its Non-typhoidal Salmonella Ortholog Confer Differential Host Adaptation and Virulence.
Cell Host Microbe, 27, 2020
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6P47
 | | Cryo-EM structure of TMEM16F in digitonin without calcium | | Descriptor: | Anoctamin-6 | | Authors: | Feng, S, Dang, S, Han, T.W, Ye, W, Jin, P, Cheng, T, Li, J, Jan, Y.N, Jan, L.Y, Cheng, Y. | | Deposit date: | 2019-05-26 | | Release date: | 2019-07-24 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Cryo-EM Studies of TMEM16F Calcium-Activated Ion Channel Suggest Features Important for Lipid Scrambling.
Cell Rep, 28, 2019
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6P4P
 | | Salmonella typhi PltB Homopentamer N29K Mutant | | Descriptor: | Putative pertussis-like toxin subunit | | Authors: | Nguyen, T, Milano, S.K, Hillpot, E.C, Yang, Y.A, Song, J. | | Deposit date: | 2019-05-28 | | Release date: | 2020-03-25 | | Last modified: | 2020-08-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Salmonella Typhoid Toxin PltB Subunit and Its Non-typhoidal Salmonella Ortholog Confer Differential Host Adaptation and Virulence.
Cell Host Microbe, 27, 2020
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3ZH8
 | | A novel small molecule aPKC inhibitor | | Descriptor: | (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Kjaer, S, Purkiss, A.G, Kostelecky, B, Knowles, P.P, Soriano, E, Murray-Rust, J, McDonald, N.Q. | | Deposit date: | 2012-12-20 | | Release date: | 2013-02-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.739 Å) | | Cite: | Adenosine-Binding Motif Mimicry and Cellular Effects of a Thieno[2,3-D]Pyrimidine-Based Chemical Inhibitor of Atypical Protein Kinase C Isozymes.
Biochem.J., 451, 2013
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2YGW
 | | Crystal structure of human MCD | | Descriptor: | 1,2-ETHANEDIOL, MALONYL-COA DECARBOXYLASE, MITOCHONDRIAL, ... | | Authors: | Vollmar, M, Puranik, S, Krojer, T, Savitsky, P, Allerston, C, Yue, W.W, Chaikuad, A, von Delft, F, Gileadi, O, Kavanagh, K, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U. | | Deposit date: | 2011-04-21 | | Release date: | 2012-02-15 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structures of Malonyl-Coenzyme a Decarboxylase Provide Insights Into its Catalytic Mechanism and Disease-Causing Mutations.
Structure, 21, 2013
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8B80
 | | The structure of Gan1D W433A in complex with galactose-6P | | Descriptor: | 6-O-phosphono-beta-D-galactopyranose, GLYCEROL, IMIDAZOLE, ... | | Authors: | Snyder, J, Lansky, S, Zehavi, A, Shoham, Y, Shoham, G. | | Deposit date: | 2022-10-04 | | Release date: | 2022-10-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | The structure of Gan1D W433A in complex with galactose-6P
To Be Published
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4D5V
 | | Hypocrea jecorina cellobiohydrolase Cel7A E217Q soaked with xylotetraose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | | Authors: | Momeni, M.H, Stahlberg, J, Hansson, H. | | Deposit date: | 2014-11-07 | | Release date: | 2015-03-25 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides.
FEBS J., 282, 2015
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2WIG
 | | NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA4 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | | Deposit date: | 2009-05-11 | | Release date: | 2009-05-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun.
Biochem. J., 421, 2009
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8B81
 | | The structure of Gan1D W433A in complex with cellobiose-6-phosphate | | Descriptor: | 6-O-phosphono-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, IMIDAZOLE, Putative 6-phospho-beta-galactobiosidase | | Authors: | Snyder, J, Lansky, S, Zehavi, A, Shoham, Y, Shoham, G. | | Deposit date: | 2022-10-04 | | Release date: | 2022-10-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.585 Å) | | Cite: | The structure of Gan1D W433A in complex with cellobiose-6-phosphate
To Be Published
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2NY5
 | | HIV-1 gp120 Envelope Glycoprotein (M95W, W96C, I109C, T257S, V275C, S334A, S375W, Q428C, A433M) Complexed with CD4 and Antibody 17b | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, HEAVY CHAIN, ... | | Authors: | Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D. | | Deposit date: | 2006-11-20 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
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5WTG
 | | Crystal structure of the Fab fragment of anti-HAV antibody R10 | | Descriptor: | FAB Heavy chain, FAB Light chain | | Authors: | Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z. | | Deposit date: | 2016-12-11 | | Release date: | 2017-01-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.907 Å) | | Cite: | Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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3B3N
 | | Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine, ... | | Authors: | Igarashi, J, Li, H, Poulos, T.L. | | Deposit date: | 2007-10-22 | | Release date: | 2008-07-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors.
J.Am.Chem.Soc., 130, 2008
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5UCU
 | | STRUCTURAL AND MECHANISTIC INSIGHTS INTO HEMOGLOBIN-CATALYZED HYDROGEN SULFIDE OXIDATION AND THE FATE OF POLYSULFIDE PRODUCTS | | Descriptor: | HYDROSULFURIC ACID, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Vitvitsky, V, Yadav, P.K, An, S, Seravalli, J, Cho, U.-S, Banerjee, R. | | Deposit date: | 2016-12-22 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.797 Å) | | Cite: | Structural and Mechanistic Insights into Hemoglobin-catalyzed Hydrogen Sulfide Oxidation and the Fate of Polysulfide Products.
J. Biol. Chem., 292, 2017
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4GIC
 | | Crystal Structure Of a Putative Histidinol dehydrogenase (Target PSI-014034) from Methylococcus capsulatus | | Descriptor: | Histidinol dehydrogenase, SULFATE ION | | Authors: | Kumar, P.R, Ahmed, M, Banu, N, Bhosle, R, Bonanno, J, Chamala, S, Chowdhury, S, Gizzi, A, Glen, S, Hammonds, J, Hillerich, B, Love, J.D, Seidel, R, Stead, M, Toro, R, Washington, E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-08-08 | | Release date: | 2012-08-22 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (2.052 Å) | | Cite: | Crystal structure of a putative Histidinol dehydrogenase from Methylococcus capsulatus
to be published
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5U6Q
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4GIS
 | | crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, glycerol and dicarboxylates bound (mixed loops, space group I4122) | | Descriptor: | CHLORIDE ION, Enolase, GLYCEROL, ... | | Authors: | Vetting, M.W, Toro, R, Bhosle, R, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-08-08 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of an enolase family member from vibrio harveyi (efi-target 501692) with homology to mannonate dehydratase, with mg, glycerol and dicarboxylates bound (mixed loops, space group I4122)
To be Published
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5WWI
 | | Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1) | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ... | | Authors: | Zhao, M, Liu, K, Chai, Y, Qi, J, Liu, J, Gao, G.F. | | Deposit date: | 2017-01-01 | | Release date: | 2018-01-17 | | Last modified: | 2019-07-31 | | Method: | X-RAY DIFFRACTION (3.194 Å) | | Cite: | Crystal Structure of HLA-A*2402 in complex with avian influenza A(H7N9) virus-derived peptide H7-25 (data set 1).
To Be Published
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2NWH
 | | Carbohydrate kinase from Agrobacterium tumefaciens | | Descriptor: | CALCIUM ION, CHLORIDE ION, SODIUM ION, ... | | Authors: | Osipiuk, J, Xu, X, Gu, J, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-11-14 | | Release date: | 2006-12-12 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | X-ray crystal structure of carbohydrate kinase from Agrobacterium tumefaciens
To be Published
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6PCK
 | | Crystal structure of human diphosphoinositol polyphosphate phosphohydrolase 1 in complex with 1-IP7 | | Descriptor: | (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate, CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, ... | | Authors: | Dollins, D.E, Neubauer, J, Dong, J, York, J.D. | | Deposit date: | 2019-06-17 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Vip1 is a kinase and pyrophosphatase switch that regulates inositol diphosphate signaling.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6PCQ
 | | E. coli 50S ribosome bound to VM2 | | Descriptor: | (3R,4R,5E,10E,12E,14S,26aR)-14-hydroxy-4,12-dimethyl-3-(propan-2-yl)-8,9,14,15,24,25,26,26a-octahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone, 23S ribosomal RNA, 50S ribosomal protein L13, ... | | Authors: | Pellegrino, J, Lee, D.J, Fraser, J.S, Seiple, I.B. | | Deposit date: | 2019-06-18 | | Release date: | 2020-06-17 | | Last modified: | 2020-10-07 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Synthetic group A streptogramin antibiotics that overcome Vat resistance.
Nature, 586, 2020
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