7R2F
 
 | | Structure of tabun inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17,20,23-OCTAOXAPENTACOSAN-25-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-04 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R3C
 | | VX-inhibited acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-07 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.40000415 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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7R63
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7R0A
 | | Structure of sarin phosphonylated acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium | | Descriptor: | 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 2-(2-METHOXYETHOXY)ETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ... | | Authors: | Forsgren, N, Lindgren, C, Edvinsson, L, Linusson, A, Ekstrom, F. | | Deposit date: | 2022-02-01 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Broad-Spectrum Antidote Discovery by Untangling the Reactivation Mechanism of Nerve-Agent-Inhibited Acetylcholinesterase.
Chemistry, 28, 2022
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4ZPM
 | | Crystal Structure of Protocadherin Alpha C2 EC1-3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein Pcdhac2, ... | | Authors: | Goodman, K.M, Mannepalli, S, Shapiro, L. | | Deposit date: | 2015-05-08 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions.
Cell, 163, 2015
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4ZQR
 | | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis | | Descriptor: | GLYCEROL, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, PHOSPHATE ION, ... | | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-05-11 | | Release date: | 2015-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.692 Å) | | Cite: | Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds.
Plos One, 10, 2015
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4ZNM
 | | Crystal structure of SgcC5 protein from Streptomyces globisporus (apo form) | | Descriptor: | C-domain type II peptide synthetase, CHLORIDE ION, SODIUM ION | | Authors: | Michalska, K, Bigelow, L, Jedrzejczak, R, Babnigg, G, Lohman, J, Ma, M, Rudolf, J, Chang, C.-Y, Shen, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-05-04 | | Release date: | 2015-05-27 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Crystal structure of SgcC5 protein from Streptomyces globisporus (apo form)
To Be Published
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4ZQP
 | | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor MAD1 | | Descriptor: | 5'-O-({1-[(2E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1H-1,2,3-triazol-4-yl}methyl)adenosine, GLYCEROL, INOSINIC ACID, ... | | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-05-10 | | Release date: | 2015-06-17 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds.
Plos One, 10, 2015
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4ZPN
 | | Crystal Structure of Protocadherin Gamma C5 EC1-3 with extended N-terminus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MCG133388, ... | | Authors: | Goodman, K.M, Wolcott, H.N, Bahna, F, Shapiro, L. | | Deposit date: | 2015-05-08 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions.
Cell, 163, 2015
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4ZVI
 | | GYRASE B IN COMPLEX WITH 4,5-DIBROMOPYRROLAMIDE-BASED INHIBITOR | | Descriptor: | DNA gyrase subunit B, IODIDE ION, N-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine | | Authors: | Zidar, N, Macut, H, Tomasic, T, Brvar, M, Montalvao, S, Tammela, P, Solmajer, T, Peterlin Masic, L, Ilas, J, Kikelj, D. | | Deposit date: | 2015-05-18 | | Release date: | 2015-07-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | N-Phenyl-4,5-dibromopyrrolamides and N-Phenylindolamides as ATP Competitive DNA Gyrase B Inhibitors: Design, Synthesis, and Evaluation.
J.Med.Chem., 58, 2015
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5A55
 | | The native structure of GH101 from Streptococcus pneumoniae TIGR4 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE, ... | | Authors: | Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2015-06-16 | | Release date: | 2015-09-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
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5ADX
 | | CryoEM structure of dynactin complex at 4.0 angstrom resolution | | Descriptor: | ACTIN RELATED PROTEIN 1, ACTIN RELATED PROTEIN 11, ACTIN, ... | | Authors: | Zhang, K, Urnavicius, L, Diamant, A.G, Motz, C, Schlage, M.A, Yu, M, Patel, N.A, Robinson, C.V, Carter, A.P. | | Deposit date: | 2015-08-24 | | Release date: | 2015-12-30 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | The Structure of the Dynactin Complex and its Interaction with Dynein.
Science, 347, 2015
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5AFR
 | | N-terminal fragment of dynein heavy chain | | Descriptor: | DYNEIN HEAVY CHAIN, CYTOPLASMIC | | Authors: | Urnavicius, L, Zhang, K, Diamant, A.G, Motz, C, Schlager, M.A, Yu, M, Patel, N.A, Robinson, C.V, Carter, A.P. | | Deposit date: | 2015-01-23 | | Release date: | 2015-02-18 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (5 Å) | | Cite: | The Structure of the Dynactin Complex and its Interaction with Dynein.
Science, 347, 2015
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5A0E
 | | Crystal structure of cyclophilin D in complex with CsA analogue, JW47. | | Descriptor: | JW47, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE F, MITOCHONDRIAL | | Authors: | Warne, J, Pryce, G, Hill, J, Shi, X, Lenneras, F, Puentes, F, Kip, M, Hilditch, L, Walker, P, Simone, M, Chan, A.W.E, Towers, G, Coker, A.R, Duchen, M, Szabadkai, G, Baker, D, Selwood, D.L. | | Deposit date: | 2015-04-19 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Selective Inhibition of the Mitochondrial Permeability Transition Pore Protects Against Neuro-Degeneration in Experimental Multiple Sclerosis.
J.Biol.Chem., 291, 2016
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4ZXK
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4ZWV
 | | Crystal Structure of Aminotransferase AtmS13 from Actinomadura melliaura | | Descriptor: | GLYCEROL, Putative aminotransferase | | Authors: | Kim, Y, Bigelow, L, Endres, M, Wang, F, Phillips Jr, G.N, Joachimiak, A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-05-19 | | Release date: | 2015-06-03 | | Last modified: | 2019-12-04 | | Method: | X-RAY DIFFRACTION (1.503 Å) | | Cite: | Structural characterization of AtmS13, a putative sugar aminotransferase involved in indolocarbazole AT2433 aminopentose biosynthesis.
Proteins, 83, 2015
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5A5A
 | | The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with PNP-T-antigen | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ... | | Authors: | Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2015-06-16 | | Release date: | 2015-09-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
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5ADS
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5A8F
 | | Structure and genome release mechanism of human cardiovirus Saffold virus-3 | | Descriptor: | GENOME POLYPHUMAN SAFFOLD VIRUS-3 VP3 PROTEIN, HUMAN SAFFOLD VIRUS-3 VP1, HUMAN SAFFOLD VIRUS-3 VP2 | | Authors: | Mullapudi, E, Novacek, J, Palkova, L, Kulich, P, Lindberg, M, vanKuppeveld, F.J.M, Plevka, P. | | Deposit date: | 2015-07-15 | | Release date: | 2016-06-08 | | Last modified: | 2019-10-30 | | Method: | ELECTRON MICROSCOPY (10.6 Å) | | Cite: | Structure and Genome Release Mechanism of Human Cardiovirus Saffold Virus-3.
J.Virol., 90, 2016
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5A92
 | | 15K X-ray structure with Cefotaxime: Exploring the Mechanism of beta- Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography | | Descriptor: | BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ... | | Authors: | Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L. | | Deposit date: | 2015-07-17 | | Release date: | 2015-12-16 | | Last modified: | 2018-10-03 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
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5A4V
 | | AtGSTF2 from Arabidopsis thaliana in complex with quercetin | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, ACETATE ION, GLUTATHIONE S-TRANSFERASE F2 | | Authors: | Ahmad, L, Rylott, E, Bruce, N.C, Edwards, R, Grogan, G. | | Deposit date: | 2015-06-15 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands.
FEBS Open Bio, 7, 2017
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5A56
 | | The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with 1-O-methyl-T-antigen | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ... | | Authors: | Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2015-06-16 | | Release date: | 2015-09-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights into Its Mechanism.
J.Biol.Chem., 290, 2015
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5A7I
 | | Crystal structure of INPP5B in complex with biphenyl 3,3',4,4',5,5'- hexakisphosphate | | Descriptor: | Biphenyl 3,3',4,4',5,5'-hexakisphosphate, CHLORIDE ION, GLYCEROL, ... | | Authors: | Tresaugues, L, Mills, S.J, Silvander, C, Cozier, G, Potter, B.V.L, Norldund, P. | | Deposit date: | 2015-07-06 | | Release date: | 2016-04-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Crystal Structures of Type-II Inositol Polyphosphate 5-Phosphatase Inpp5B with Synthetic Inositol Polyphosphate Surrogates Reveal New Mechanistic Insights for the Inositol 5-Phosphatase Family.
Biochemistry, 55, 2016
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5A63
 | | Cryo-EM structure of the human gamma-secretase complex at 3.4 angstrom resolution. | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Bai, X, Yan, C, Yang, G, Lu, P, Ma, D, Sun, L, Zhou, R, Scheres, S.H.W, Shi, Y. | | Deposit date: | 2015-06-24 | | Release date: | 2015-08-05 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | An Atomic Structure of Human Gamma-Secretase
Nature, 525, 2015
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5ABB
 | | Visualization of a polytopic membrane protein during SecY-mediated membrane insertion | | Descriptor: | GREEN-LIGHT ABSORBING PROTEORHODOPSIN, PROTEIN TRANSLOCASE SUBUNIT SECE, PROTEIN TRANSLOCASE SUBUNIT SECY | | Authors: | Bischoff, L, Wickles, S, Berninghausen, O, vanderSluis, E, Beckmann, R. | | Deposit date: | 2015-08-05 | | Release date: | 2015-08-19 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | Visualization of a Polytopic Membrane Protein During Secy-Mediated Membrane Insertion.
Nat.Commun., 5, 2014
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