5FGZ
 
 | | E. coli PBP1b in complex with FPI-1465 | | Descriptor: | MOENOMYCIN, Penicillin-binding protein 1B, [[(3~{R},6~{S})-1-methanoyl-6-[[(3~{S})-pyrrolidin-3-yl]oxycarbamoyl]piperidin-3-yl]amino] hydrogen sulfate | | Authors: | King, D.T, Strynadka, N.C.J. | | Deposit date: | 2015-12-21 | | Release date: | 2016-01-20 | | Last modified: | 2019-11-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural and Kinetic Characterization of Diazabicyclooctanes as Dual Inhibitors of Both Serine-beta-Lactamases and Penicillin-Binding Proteins.
Acs Chem.Biol., 11, 2016
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8BBR
 | | Determination of the structure of active tyrosinase from bacterium Verrucomicrobium spinosum | | Descriptor: | COPPER (II) ION, Core tyrosinase, SULFATE ION | | Authors: | Fekry, M, Dave, K, Badgujar, D, Aurelius, O, Hamnevik, E, Dobritzsch, D, Danielson, H. | | Deposit date: | 2022-10-14 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | The Crystal Structure of Tyrosinase from Verrucomicrobium spinosum Reveals It to Be an Atypical Bacterial Tyrosinase.
Biomolecules, 13, 2023
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6I8H
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8BJE
 | | A structure of the truncated LpMIP with bound inhibitor JK236. | | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, GLYCEROL, Peptidyl-prolyl cis-trans isomerase | | Authors: | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | | Deposit date: | 2022-11-04 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
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7LYV
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8BJI
 | | chimera of ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo fused to a proline-Rich-Domain (PRD) and profilin, bound to ADP-Mg-actin and a sulfate ion | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | | Authors: | Teixeira-Nunes, M, Renault, L, Retailleau, P. | | Deposit date: | 2022-11-04 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
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5FJI
 | | Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ... | | Authors: | Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S. | | Deposit date: | 2015-10-09 | | Release date: | 2016-02-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases
Acta Crystallogr.,Sect.D, 72, 2016
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8BJC
 | | Full length structure of the apo-state LpMIP. | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | | Authors: | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | | Deposit date: | 2022-11-03 | | Release date: | 2023-09-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding.
Int.J.Biol.Macromol., 252, 2023
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6R48
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6I96
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5FHH
 | | Structure of human Pif1 helicase domain residues 200-641 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase PIF1, TETRAFLUOROALUMINATE ION | | Authors: | Zhou, X, Ren, W, Bharath, S.R, Song, H. | | Deposit date: | 2015-12-22 | | Release date: | 2016-03-30 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structural and Functional Insights into the Unwinding Mechanism of Bacteroides sp Pif1
Cell Rep, 14, 2016
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8TOR
 | | ACE2-peptide 2 complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ... | | Authors: | Christie, M, Payne, R.J. | | Deposit date: | 2023-08-03 | | Release date: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of High Affinity Cyclic Peptide Ligands for Human ACE2 with SARS-CoV-2 Entry Inhibitory Activity.
Acs Chem.Biol., 19, 2024
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6GQ7
 | | PI3Kg IN COMPLEX WITH INH | | Descriptor: | 3-methyl-1-(oxan-4-yl)-8-pyridin-3-yl-imidazo[4,5-c]quinolin-2-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | Authors: | Petersen, J. | | Deposit date: | 2018-06-07 | | Release date: | 2018-06-20 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | PI3Kg IN COMPLEX WITH INH
To Be Published
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8BR1
 | | ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, bound to Latrunculin-B-ATP-Mg-actin, and 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE and 2 Mg ions | | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Teixeira-Nunes, M, Renault, L, Retailleau, P. | | Deposit date: | 2022-11-22 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.044 Å) | | Cite: | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin.
Plos Pathog., 19, 2023
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6CG3
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7RH2
 | | IRF4 Transcription factor mutant -K59R | | Descriptor: | DNA (5'-D(*CP*AP*AP*CP*TP*GP*AP*AP*AP*CP*CP*GP*AP*GP*AP*AP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*TP*TP*CP*TP*CP*GP*GP*TP*TP*TP*CP*AP*GP*TP*TP*G)-3'), ICSAT transcription factor | | Authors: | Williams, S.J, Sundararaj, S, Casarotto, M.G. | | Deposit date: | 2021-07-16 | | Release date: | 2022-05-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | The molecular basis for the development of adult T-cell leukemia/lymphoma in patients with an IRF4 K59R mutation.
Protein Sci., 31, 2022
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5FK7
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8TBF
 | | Tricomplex of RMC-7977, KRAS WT, and CypA | | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GTPase KRas, ... | | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | | Deposit date: | 2023-06-28 | | Release date: | 2024-02-07 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy.
Nature, 629, 2024
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6CI5
 | | Crystal structure of the formyltransferase PseJ from Anoxybacillus kamchatkensis in complex with UDP-4,6-dideoxy-4-formamido-L-AltNAc and tetrahydrofolate | | Descriptor: | (2R,3R,4S,5R,6S)-3-(acetylamino)-5-(formylamino)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name), N-[4-({[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SULFATE ION, ... | | Authors: | Reimer, J.M, Harb, I, Schmeing, T.M. | | Deposit date: | 2018-02-23 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.00003052 Å) | | Cite: | Structural Insight into a Novel Formyltransferase and Evolution to a Nonribosomal Peptide Synthetase Tailoring Domain.
ACS Chem. Biol., 13, 2018
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7LHP
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6CG5
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8B53
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6ZPE
 | | Nonstructural protein 10 (nsp10) from SARS CoV-2 | | Descriptor: | CHLORIDE ION, GLYCEROL, Replicase polyprotein 1ab, ... | | Authors: | Fisher, S.Z, Kozielski, F. | | Deposit date: | 2020-07-08 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Crystal Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2.
Int J Mol Sci, 21, 2020
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6GRA
 | | Human AURKA bound to BRD-7880 | | Descriptor: | 1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea, Aurora kinase A | | Authors: | Abdul Azeez, K.R, Sorrell, F.J, von Delft, F, Bountra, C, Knapp, S, Edwards, A.M, Arrowsmith, C, Elkins, J.M. | | Deposit date: | 2018-06-10 | | Release date: | 2019-05-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Aurora kinase A bound to BRD-7880
To Be Published
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6RAR
 | | Pmar-Lig_PreS3-Mn | | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP-dependent DNA ligase, DNA (5'-D(*TP*TP*CP*CP*GP*AP*CP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ... | | Authors: | Leiros, H.K.S, Williamson, A. | | Deposit date: | 2019-04-07 | | Release date: | 2019-07-10 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.785 Å) | | Cite: | Structural intermediates of a DNA-ligase complex illuminate the role of the catalytic metal ion and mechanism of phosphodiester bond formation.
Nucleic Acids Res., 47, 2019
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