7BLS
 
 | | Notum-maybridge_18 | | Descriptor: | 2-[(3-Nitro-2-pyridyl)thio]acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2021-01-18 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.19 Å) | | Cite: | Notum Fragment Screen
To Be Published
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9B9N
 | | Crystal structure of FlcD from Pseudomonas aeruginosa bound to iron (II) and substrate | | Descriptor: | (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (III) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | | Authors: | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | | Deposit date: | 2024-04-02 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme
Acs Cent.Sci., 2024
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9B9O
 | | Crystal structure of FlcD from Pseudomonas aeruginosa bond to iron(II) and substrate | | Descriptor: | (2R)-2-{[(2Z)-2-(hydroxyimino)ethyl]sulfanyl}butanedioic acid, FE (II) ION, Pyrroloquinoline quinone (Coenzyme PQQ) biosynthesis protein C | | Authors: | Walker, M.E, Grove, T.L, Li, B, Redinbo, M.R. | | Deposit date: | 2024-04-02 | | Release date: | 2024-07-31 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structural Basis for Methine Excision by a Heme Oxygenase-like Enzyme
Acs Cent.Sci., 2024
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4TV8
 | | Tubulin-Maytansine complex | | Descriptor: | (3beta,4beta,5beta,10beta,11E,13E)-maytansine, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Prota, A.E, Bargsten, K, Diaz, J.F, Marsh, M, Cuevas, C, Liniger, M, Neuhaus, C, Andreu, J.M, Altmann, K.H, Steinmetz, M.O. | | Deposit date: | 2014-06-26 | | Release date: | 2014-08-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.103 Å) | | Cite: | A new tubulin-binding site and pharmacophore for microtubule-destabilizing anticancer drugs.
Proc.Natl.Acad.Sci.USA, 111, 2014
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9B9M
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2AZ9
 | | HIV-1 Protease NL4-3 1X mutant | | Descriptor: | PROTEASE RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate | | Authors: | Heaslet, H, Kutilek, V, Morris, G.M, Lin, Y.-C, Elder, J.H, Torbett, B.E, Stout, C.D. | | Deposit date: | 2005-09-09 | | Release date: | 2006-02-28 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural Insights into the Mechanisms of Drug Resistance in HIV-1 Protease NL4-3
J.Mol.Biol., 356, 2006
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7BLI
 | | Notum-Bepridil complex | | Descriptor: | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | Zhao, Y, Jonees, E.Y. | | Deposit date: | 2021-01-18 | | Release date: | 2022-03-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Notum Fragment Screen
To Be Published
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2AK2
 | | ADENYLATE KINASE ISOENZYME-2 | | Descriptor: | ADENYLATE KINASE ISOENZYME-2, SULFATE ION | | Authors: | Schlauderer, G.J, Schulz, G.E. | | Deposit date: | 1995-12-29 | | Release date: | 1996-06-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The structure of bovine mitochondrial adenylate kinase: comparison with isoenzymes in other compartments.
Protein Sci., 5, 1996
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9IJ9
 | | A Cryo-EM structure of Bitter taste receptor TAS2R14 with Gi complex | | Descriptor: | 4-methyl-N-[(2M)-2-(1H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)pyrimidin-2-amine, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Yuan, Q, Duan, J, Tao, L, Xu, E.H. | | Deposit date: | 2024-06-21 | | Release date: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Bitter taste receptor TAS2R14 activation and G protein assembly by an intracellular agonist.
Cell Res., 2024
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2AO7
 | | Adam10 Disintegrin and cysteine- rich domain | | Descriptor: | ADAM 10, SULFATE ION | | Authors: | Janes, P.W, Saha, N, Barton, W.A, Kolev, M.V, Wimmer-Kleikamp, S.H, Nievergall, E, Blobel, C.P, Himanen, J.-P, Lackmann, M, Nikolov, D.B. | | Deposit date: | 2005-08-12 | | Release date: | 2006-08-08 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Adam meets Eph: an ADAM substrate recognition module acts as a molecular switch for ephrin cleavage in trans.
Cell(Cambridge,Mass.), 123, 2005
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4U0Q
 | | Plasmodium falciparum reticulocyte-binding protein homologue 5 (PfRH5) bound to basigin | | Descriptor: | Basigin, Reticulocyte binding protein 5 | | Authors: | Wright, K.E, Hjerrild, K.A, Bartlett, J, Douglas, A.D, Jin, J, Brown, R.E, Ashfield, R, Clemmensen, S.B, de Jongh, W.A, Draper, S.J, Higgins, M.K. | | Deposit date: | 2014-07-14 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of malaria invasion protein RH5 with erythrocyte basigin and blocking antibodies.
Nature, 515, 2014
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5L1W
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7CHD
 | | AtaT complexed with acetyl-methionyl-tRNAfMet | | Descriptor: | N-acetyltransferase domain-containing protein, RNA (77-MER) | | Authors: | Yashiro, Y, Tomita, K. | | Deposit date: | 2020-07-05 | | Release date: | 2020-11-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.804 Å) | | Cite: | Mechanism of aminoacyl-tRNA acetylation by an aminoacyl-tRNA acetyltransferase AtaT from enterohemorrhagic E. coli.
Nat Commun, 11, 2020
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4U5B
 | | Crystal structure of GluA2 A622T, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... | | Authors: | Chen, L, Gouaux, E. | | Deposit date: | 2014-07-25 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.5037 Å) | | Cite: | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
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4U5F
 | | Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex, GluA2cryst2 construct | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... | | Authors: | Chen, L, Gouaux, E. | | Deposit date: | 2014-07-24 | | Release date: | 2014-08-13 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
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4U5E
 | | Crystal structure of GluA2 T625G, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... | | Authors: | Chen, L, Gouaux, E. | | Deposit date: | 2014-07-25 | | Release date: | 2014-08-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.5073 Å) | | Cite: | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism.
Science, 345, 2014
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2B58
 | | SSAT with coa_sp, spermine disordered, K26R mutant | | Descriptor: | COENZYME A, Diamine acetyltransferase 1 | | Authors: | Bewley, M.C, Graziano, V, Jiang, J.S, Matz, E, Studier, F.W, Pegg, A.P, Coleman, C.S, Flanagan, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2005-09-27 | | Release date: | 2006-01-24 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of wild-type and mutant human spermidine/spermine N1-acetyltransferase, a potential therapeutic drug target
Proc.Natl.Acad.Sci.Usa, 103, 2006
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4UJE
 | | Regulation of the mammalian elongation cycle by 40S subunit rolling: a eukaryotic-specific ribosome rearrangement | | Descriptor: | 18S Ribosomal RNA, 28S Ribosomal RNA, 40S RIBOSOMAL PROTEIN S10, ... | | Authors: | Budkevich, T.V, Giesebrecht, J, Behrmann, E, Loerke, J, Ramrath, D.J.F, Mielke, T, Ismer, J, Hildebrand, P, Tung, C.-S, Nierhaus, K.H, Sanbonmatsu, K.Y, Spahn, C.M.T. | | Deposit date: | 2014-04-05 | | Release date: | 2014-07-16 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (6.9 Å) | | Cite: | Regulation of the Mammalian Elongation Cycle by Subunit Rolling: A Eukaryotic-Specific Ribosome Rearrangement.
Cell(Cambridge,Mass.), 158, 2014
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2B8H
 | | A/NWS/whale/Maine/1/84 (H1N9) reassortant influenza virus neuraminidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Smith, B.J, Platis, D, Cox, M.M.J, Huyton, T, Joosten, R.P, McKimm-Breschkin, J.L, Zhang, J.-G, Luo, C.S, Lou, M.-Z, Garrett, T.P.J, Labrou, N.E. | | Deposit date: | 2005-10-07 | | Release date: | 2006-09-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a calcium-deficient form of influenza virus neuraminidase: implications for substrate binding.
Acta Crystallogr.,Sect.D, 62, 2006
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5L1V
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5L1U
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4UAG
 | | UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | | Descriptor: | SULFATE ION, UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, UNKNOWN ATOM OR ION, ... | | Authors: | Bertrand, J, Auger, G, Martin, L, Fanchon, E, Blanot, D, Le Beller, D, Van Heijenoort, J, Dideberg, O. | | Deposit date: | 1999-03-09 | | Release date: | 2000-03-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
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5L1R
 | | X-ray Structure of the Substrate-free Cytochrome P450 PntM | | Descriptor: | BICINE, PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase | | Authors: | Duan, L, Jogl, G, Cane, D.E. | | Deposit date: | 2016-07-29 | | Release date: | 2016-09-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
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5L3Z
 | | polyketide ketoreductase SimC7 - binary complex with NADP+ | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, polyketide ketoreductase SimC7 | | Authors: | Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J. | | Deposit date: | 2016-05-24 | | Release date: | 2016-10-05 | | Last modified: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
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5L1T
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