6C5H
 
 | | S25-5 Fab in complex with Chlamydiaceae-specific LPS antigen | | Descriptor: | 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-8)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-4)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid-(2-6)-2-amino-2-deoxy-4-O-phosphono-beta-D-glucopyranose-(1-6)-2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Evans, S.V, Haji-Ghassemi, O. | | Deposit date: | 2018-01-16 | | Release date: | 2019-01-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Subtle Changes in the Combining Site of the Chlamydiaceae-Specific mAb S25-23 Increase the Antibody-Carbohydrate Binding Affinity by an Order of Magnitude.
Biochemistry, 58, 2019
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6BTM
 | | Structure of Alternative Complex III from Flavobacterium johnsoniae (Wild Type) | | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl ditetradecanoate, Alternative Complex III subunit A, Alternative Complex III subunit B, ... | | Authors: | Sun, C, Benlekbir, S, Venkatakrishnan, P, Yuhang, W, Tajkhorshid, E, Rubinstein, J.L, Gennis, R.B. | | Deposit date: | 2017-12-07 | | Release date: | 2018-05-09 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of the alternative complex III in a supercomplex with cytochrome oxidase.
Nature, 557, 2018
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4R57
 | | Crystal structure of spermidine N-acetyltransferase from Vibrio cholerae in complex with acetyl-CoA | | Descriptor: | ACETYL COENZYME *A, DI(HYDROXYETHYL)ETHER, Spermidine n1-acetyltransferase, ... | | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Shuvalova, L, Kuhn, M.L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2014-08-20 | | Release date: | 2015-03-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.079 Å) | | Cite: | A Novel Polyamine Allosteric Site of SpeG from Vibrio cholerae Is Revealed by Its Dodecameric Structure.
J.Mol.Biol., 427, 2015
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6A92
 | | Crystal structure of a cyclase Filc1 from Fischerella sp. | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Hu, X.Y, Liu, W.D, Chen, C.C, Guo, R.T. | | Deposit date: | 2018-07-11 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | The Crystal Structure of a Class of Cyclases that Catalyze the Cope Rearrangement
Angew. Chem. Int. Ed. Engl., 57, 2018
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4R3C
 | | Crystal structure of p38 alpha MAP kinase in complex with a novel isoform selective drug candidate | | Descriptor: | 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, 6-(4-methylpiperazin-1-yl)-3-(naphthalen-2-yl)-4-(pyridin-4-yl)pyridazine, CHLORIDE ION, ... | | Authors: | Grum-Tokars, V.L, Minasov, G, Roy, S.M, Anderson, W.F, Watterson, D.M. | | Deposit date: | 2014-08-14 | | Release date: | 2015-02-25 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Targeting human central nervous system protein kinases: An isoform selective p38 alpha MAPK inhibitor that attenuates disease progression in Alzheimer's disease mouse models.
ACS Chem Neurosci, 6, 2015
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2JG0
 | | Family 37 trehalase from Escherichia coli in complex with 1- thiatrehazolin | | Descriptor: | N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine, PERIPLASMIC TREHALASE | | Authors: | Gibson, R.P, Gloster, T.M, Roberts, S, Warren, R.A.J, Storch De Gracia, I, Garcia, A, Chiara, J.L, Davies, G.J. | | Deposit date: | 2007-02-07 | | Release date: | 2007-02-13 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Molecular Basis for Trehalase Inhibition Revealed by the Structure of Trehalase in Complex with Potent Inhibitors.
Angew.Chem.Int.Ed.Engl., 46, 2007
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3ITK
 | | Crystal structure of human UDP-glucose dehydrogenase Thr131Ala, apo form. | | Descriptor: | 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, UDP-glucose 6-dehydrogenase | | Authors: | Chaikuad, A, Egger, S, Yue, W.W, Sethi, R, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A.M, Kavanagh, K.L, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-08-28 | | Release date: | 2009-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure and mechanism of human UDP-glucose 6-dehydrogenase.
J.Biol.Chem., 286, 2011
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3IVP
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7ET1
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4U0S
 | | Structure of Eukaryotic fic domain containing protein with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION, ... | | Authors: | Cole, A.R, Katan, M, Bunney, T.D. | | Deposit date: | 2014-07-14 | | Release date: | 2014-12-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Crystal structure of the human, FIC-domain containing protein HYPE and implications for its functions.
Structure, 22, 2014
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4U4L
 | | Crystal structure of the metallo-beta-lactamase NDM-1 in complex with a bisthiazolidine inhibitor | | Descriptor: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Beta-lactamase NDM-1, GLYCEROL, ... | | Authors: | Kosmopoulou, M, Hinchliffe, P, Spencer, J. | | Deposit date: | 2014-07-23 | | Release date: | 2014-08-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of the metallo-beta-lactamase NDM-1 in complex with a bisthiazolidine inhibitor
To Be Published
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7Z0E
 | | Crystal structure of the M state of bacteriorhodopsin at 1.22 Angstrom resolution | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene, 2,3-DI-PHYTANYL-GLYCEROL, ... | | Authors: | Borshchevskiy, V, Kovalev, K, Round, E, Efremov, R, Bourenkov, G, Gordeliy, V. | | Deposit date: | 2022-02-22 | | Release date: | 2022-05-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | True-atomic-resolution insights into the structure and functional role of linear chains and low-barrier hydrogen bonds in proteins.
Nat.Struct.Mol.Biol., 29, 2022
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4UA4
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4U4C
 | | The molecular architecture of the TRAMP complex reveals the organization and interplay of its two catalytic activities | | Descriptor: | 1,2-ETHANEDIOL, ATP-dependent RNA helicase DOB1, CHLORIDE ION, ... | | Authors: | Falk, S, Weir, J.R, Hentschel, J, Reichelt, P, Bonneau, F, Conti, E. | | Deposit date: | 2014-07-23 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The Molecular Architecture of the TRAMP Complex Reveals the Organization and Interplay of Its Two Catalytic Activities.
Mol.Cell, 55, 2014
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3L0F
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7JU8
 | | X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine | | Descriptor: | 4-(1,2,3-thiadiazol-4-yl)pyridine, CALCIUM ION, Collagenase 3, ... | | Authors: | Farrow, N.A. | | Deposit date: | 2020-08-19 | | Release date: | 2021-08-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Indole Inhibitors of MMP-13 for Arthritic Disorders
Acs Omega, 6, 2021
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8A8C
 | | T5 phage receptor-binding protein pb5 bound to ferrichrome transporter FhuA | | Descriptor: | Ferrichrome outer membrane transporter/phage receptor, Receptor-binding protein pb5, [(2R,3S,4R,5R,6R)-2-[[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-4-[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2R,3S,4R,5R,6R)-3-oxidanyl-4-[(3S)-3-oxidanyltetradecanoyl]oxy-5-[[(3R)-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate | | Authors: | Silale, A, van den Berg, B. | | Deposit date: | 2022-06-22 | | Release date: | 2022-10-05 | | Last modified: | 2022-11-16 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis for host recognition and superinfection exclusion by bacteriophage T5.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7JSD
 | | Hydroxylase homolog of BesD with Fe(II), alpha-ketoglutarate, and lysine | | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, LYSINE, ... | | Authors: | Kissman, E.N, Neugebauer, M.E, Chang, M.C.Y. | | Deposit date: | 2020-08-14 | | Release date: | 2021-08-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Reaction pathway engineering converts a radical hydroxylase into a halogenase.
Nat.Chem.Biol., 18, 2022
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7JXT
 | | Ovine COX-1 in complex with the subtype-selective derivative 2a | | Descriptor: | 2-[4,5-bis(2-chlorophenyl)-1H-imidazol-2-yl]-6-(prop-2-en-1-yl)phenyl methoxyacetate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Ko, Y, Iaselli, M, Miciaccia, M, Friedrich, L, Schneider, G, Scilimati, A, Cingolani, G. | | Deposit date: | 2020-08-27 | | Release date: | 2021-09-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Learning from Nature: From a Marine Natural Product to Synthetic Cyclooxygenase-1 Inhibitors by Automated De Novo Design.
Adv Sci, 8, 2021
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5ZHP
 | | M3 muscarinic acetylcholine receptor in complex with a selective antagonist | | Descriptor: | (1R,2R,4S,5S,7s)-7-({[4-fluoro-2-(thiophen-2-yl)phenyl]carbamoyl}oxy)-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium, CITRIC ACID, HEXAETHYLENE GLYCOL, ... | | Authors: | Liu, H, Hofmann, J, Fish, I, Schaake, B, Eitel, K, Bartuschat, A, Kaindl, J, Rampp, H, Banerjee, A, Hubner, H, Clark, M.J, Vincent, S.G, Fisher, J, Heinrich, M, Hirata, K, Liu, X, Sunahara, R.K, Shoichet, B.K, Kobilka, B.K, Gmeiner, P. | | Deposit date: | 2018-03-13 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure-guided development of selective M3 muscarinic acetylcholine receptor antagonists
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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3L9J
 | | Selection of a novel highly specific TNFalpha antagonist: Insight from the crystal structure of the antagonist-TNFalpha complex | | Descriptor: | MAGNESIUM ION, TNFalpha, Tumor necrosis factor, ... | | Authors: | Byla, P, Andersen, M.H, Thogersen, H.C, Gad, H.H, Hartmann, R. | | Deposit date: | 2010-01-05 | | Release date: | 2010-02-23 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Selection of a novel and highly specific TNF{alpha} antagonist: insight from the crystal structure of the antagonist-TNF{alpha} complex
J.Biol.Chem., 285, 2010
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3LC8
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4BHT
 | | Structural Determinants of Cofactor Specificity and Domain Flexibility in Bacterial Glutamate Dehydrogenases | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, NADP-SPECIFIC GLUTAMATE DEHYDROGENASE, ... | | Authors: | Oliveira, T, Sharkey, M, Engel, P, Khan, A. | | Deposit date: | 2013-04-06 | | Release date: | 2013-06-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of Nadp(+) -Dependent Glutamate Dehydrogenase from Escherichia Coli: Reflections on the Basis of Coenzyme Specificity in the Family of Glutamate Dehydrogenases.
FEBS J., 280, 2013
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4B3B
 | | Humanised monomeric RadA in complex with FHTA tetrapeptide | | Descriptor: | DNA REPAIR AND RECOMBINATION PROTEIN RADA, FHTA TETRAPEPTIDE, PHOSPHATE ION | | Authors: | Scott, D.E, Ehebauer, M.T, Pukala, T, Marsh, M, Blundell, T.L, Venkitaraman, A.R, Abell, C, Hyvonen, M. | | Deposit date: | 2012-07-23 | | Release date: | 2013-02-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.193 Å) | | Cite: | Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Chembiochem, 14, 2013
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2ZJL
 | | Crystal structure of the human BACE1 catalytic domain in complex with N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide | | Descriptor: | Beta-secretase 1, N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide | | Authors: | Randal, M, Lam, M.B, Lu, W, Romanowski, M.J. | | Deposit date: | 2008-03-07 | | Release date: | 2009-01-20 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fragment-based discovery of novel BACE1 inhibitors using Tethering technology
To be Published
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