3UTC
 
 | | Ec_IspH in complex with (E)-4-hydroxybut-3-enyl diphosphate | | Descriptor: | (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER | | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Li, K, Schulz, C, Oldfield, E, Groll, M. | | Deposit date: | 2011-11-25 | | Release date: | 2012-09-05 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
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3UW3
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5F01
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (1SR,2SR)-2-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-N-(3-chloroquinolin-8-yl)cyclopropanecarboxamide | | Descriptor: | (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide, ACETATE ION, Beta-secretase 1, ... | | Authors: | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | Deposit date: | 2015-11-27 | | Release date: | 2016-02-24 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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4CV3
 | | Crystal structure of E. coli FabI in complex with NADH and PT166 | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-hexyl-1-methyl-5-(2-methylphenoxy)pyridin-4(1H)-one, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH] | | Authors: | Eltschkner, S, Schiebel, J, Chang, A, Shah, S, Tonge, P.J, Kisker, C. | | Deposit date: | 2014-03-22 | | Release date: | 2014-04-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Rational Design of Broad Spectrum Antibacterial Activity Based on a Clinically Relevant Enoyl-Acyl Carrier Protein (Acp) Reductase Inhibitor.
J.Biol.Chem., 289, 2014
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5F04
 | | Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 3 at 1.84A resolution | | Descriptor: | 1,2-ETHANEDIOL, 3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one, GLYCEROL, ... | | Authors: | Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L. | | Deposit date: | 2015-11-27 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
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2RGQ
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6MQP
 | | Structure of HIV-1 CA T210K | | Descriptor: | CHLORIDE ION, Capsid protein, IODIDE ION | | Authors: | Smaga, S.S, Xiong, Y. | | Deposit date: | 2018-10-10 | | Release date: | 2019-06-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.296 Å) | | Cite: | MxB Restricts HIV-1 by Targeting the Tri-hexamer Interface of the Viral Capsid.
Structure, 27, 2019
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6MWA
 | | NavAb Voltage-gated Sodium Channel, residues 1-239 | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ion transport protein, ... | | Authors: | Lenaeus, M.J, Catterall, W.A. | | Deposit date: | 2018-10-29 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular dissection of multiphase inactivation of the bacterial sodium channel NaVAb.
J. Gen. Physiol., 151, 2019
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2A35
 | | 1.5 A Crystal Structure of a Protein of Unknown Function PA4017 from Pseudomonas aeruginosa PAO1, Possible Epimerase | | Descriptor: | hypothetical protein PA4017 | | Authors: | Zhang, R, Xu, L, Cuff, M, Savchenko, A, Cymborowski, M, Minor, W, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-06-23 | | Release date: | 2005-08-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 1.5A crystal structure of a hypothetical protein PA4017 from
Pseudomonas aeruginosa PAO1
To be Published
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7C5P
 | | Crystal Structure Glyceraldehyde-3-phosphate-dehydrogenase1 from Escherichia coli complexed with G3P at 2.35 Angstrom resolution. | | Descriptor: | CHLORIDE ION, GLYCERALDEHYDE-3-PHOSPHATE, Glyceraldehyde-3-phosphate dehydrogenase, ... | | Authors: | Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N. | | Deposit date: | 2020-05-20 | | Release date: | 2021-05-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
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1QUF
 | | X-RAY STRUCTURE OF A COMPLEX NADP+-FERREDOXIN:NADP+ REDUCTASE FROM THE CYANOBACTERIUM ANABAENA PCC 7119 AT 2.25 ANGSTROMS | | Descriptor: | FERREDOXIN-NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Serre, L, Frey, M, Vellieux, F.M.D. | | Deposit date: | 1996-09-07 | | Release date: | 1997-09-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | X-ray structure of the ferredoxin:NADP+ reductase from the cyanobacterium Anabaena PCC 7119 at 1.8 A resolution, and crystallographic studies of NADP+ binding at 2.25 A resolution.
J.Mol.Biol., 263, 1996
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4CCQ
 | | Crystal structure of the thioredoxin reductase from Entamoeba histolytica with NADP | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Parsonage, D, Kells, P.M, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M. | | Deposit date: | 2013-10-24 | | Release date: | 2014-11-05 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action.
J.Struct.Biol., 194, 2016
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4CCO
 | | 60S ribosomal protein L8 histidine hydroxylase (NO66 S373C) in complex with Mn(II), N-oxalylglycine (NOG) and 60S ribosomal protein L8 (RPL8 G214C) peptide fragment (complex-3) | | Descriptor: | 1,2-ETHANEDIOL, 60S RIBOSOMAL PROTEIN L8, BIFUNCTIONAL LYSINE-SPECIFIC DEMETHYLASE AND HISTIDYL-HYDROXYLASE NO66, ... | | Authors: | Chowdhury, R, Schofield, C.J. | | Deposit date: | 2013-10-23 | | Release date: | 2014-05-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
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4MYS
 | | 1.4 Angstrom Crystal Structure of 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase with SHCHC and Pyruvate | | Descriptor: | 2-(3-CARBOXYPROPIONYL)-6-HYDROXY-CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID, 2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate synthase, GLYCEROL, ... | | Authors: | Sun, Y, Yin, S, Feng, Y, Li, J, Zhou, J, Liu, C, Zhu, G, Guo, Z. | | Deposit date: | 2013-09-28 | | Release date: | 2014-04-23 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.423 Å) | | Cite: | Molecular basis of the general base catalysis of an alpha / beta-hydrolase catalytic triad.
J.Biol.Chem., 289, 2014
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5VL0
 | | horse liver alcohol dehydrogenase complexed with NADH and N-benzyformamide | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, Alcohol dehydrogenase E chain, ... | | Authors: | Plapp, B.V, Brown, E.N, Ramaswamy, S, Baskar Raj, S. | | Deposit date: | 2017-04-24 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Horse Liver Alcohol Dehydrogenase: Zinc Coordination and Catalysis.
Biochemistry, 56, 2017
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6MWG
 | | NavAb Voltage-gated Sodium Channel, residues 1-239, with mutation T206V | | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ACETATE ION, ... | | Authors: | Lenaeus, M.J, Catterall, W.A. | | Deposit date: | 2018-10-29 | | Release date: | 2018-12-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Molecular dissection of multiphase inactivation of the bacterial sodium channel NaVAb.
J. Gen. Physiol., 151, 2019
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7JH0
 | | Crystallographic structure of glyceraldehyde-3-phosphate dehydrogenase from Schistosoma mansoni | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Boreiko, S, Silva, M, Iulek, J. | | Deposit date: | 2020-07-20 | | Release date: | 2021-02-17 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure determination and analyses of the GAPDH from the parasite Schistosoma mansoni, the first one from a platyhelminth.
Biochimie, 184, 2021
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4S3R
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5SV5
 | | 1.0 Angstrom Crystal Structure of pre-Peptidase C-terminal Domain of Collagenase from Bacillus anthracis. | | Descriptor: | Microbial collagenase, SODIUM ION | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Shatsman, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-08-04 | | Release date: | 2016-08-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | 1.0 Angstrom Crystal Structure of pre-Peptidase C-terminal Domain of Collagenase from Bacillus anthracis.
To Be Published
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7L6C
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5VT6
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4MYX
 | | Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Internal Deletion of CBS Domain from Bacillus anthracis str. Ame complexed with P32 | | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide, FORMIC ACID, ... | | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Gorla, S.K, Hedstrom, L, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-09-28 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Crystal Structure of the Inosine 5'-monophosphate Dehydrogenase, with a Internal Deletion of CBS Domain from Bacillus anthracis str. Ame complexed with P32
To be Published
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3QV1
 | | Crystal structure of the binary complex of photosyntetic A4 glyceraldehyde 3-phosphate dehydrogenase (GAPDH) with cp12-2, both from Arabidopsis thaliana. | | Descriptor: | 1,2-ETHANEDIOL, CP12 protein, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Thumiger, A, Fermani, S, Falini, G, Marri, L, Sparla, F, Trost, P. | | Deposit date: | 2011-02-25 | | Release date: | 2012-02-29 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational Selection and Folding-upon-binding of Intrinsically Disordered Protein CP12 Regulate Photosynthetic Enzymes Assembly.
J.Biol.Chem., 287, 2012
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4OH1
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1N2S
 | | CRYSTAL STRUCTURE OF DTDP-6-DEOXY-L-LYXO-4-HEXULOSE REDUCTASE (RMLD) IN COMPLEX WITH NADH | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ... | | Authors: | Blankenfeldt, W, Kerr, I.D, Giraud, M.F, Mcmiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H. | | Deposit date: | 2002-10-24 | | Release date: | 2002-11-01 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Variation on a Theme of SDR. dTDP-6-Deoxy-L- lyxo-4-Hexulose Reductase (RmlD) Shows a New Mg(2+)-Dependent Dimerization Mode
Structure, 10, 2002
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