7DU3
 
 | | ThiL in complex with AMP-PNP | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Lin, J.Q, Lescar, J. | | Deposit date: | 2021-01-07 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | ThiL in complex with AMP-PNP
To Be Published
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6SAC
 | | N-terminal expression tag remainder of human Carbonic Anhydrase II covalently modified by fragment | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 1-(1,3-dimethyl-1H-pyrazol-5-yl)methanamine, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Heine, A, Klebe, G. | | Deposit date: | 2019-07-16 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.02 Å) | | Cite: | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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8CZX
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 17d | | Descriptor: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | | Authors: | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-05-25 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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8CZW
 | | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 15d | | Descriptor: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | | Authors: | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | | Deposit date: | 2022-05-25 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies.
Acs Pharmacol Transl Sci, 6, 2023
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6VC9
 | | TB19 complex | | Descriptor: | 1,2-ETHANEDIOL, 5'-nucleotidase, ecto (CD73), ... | | Authors: | Zhou, Y.F, Lord, D.M. | | Deposit date: | 2019-12-20 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | A highly potent CD73 biparatopic antibody blocks organization of the enzyme active site through dual mechanisms.
J.Biol.Chem., 295, 2020
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6UWY
 | | DYRK1A bound to a harmine derivative | | Descriptor: | 4-(7-methoxy-1-methyl-9H-beta-carbolin-9-yl)butanamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, TETRAETHYLENE GLYCOL | | Authors: | Khamrui, S, Lazarus, M.B. | | Deposit date: | 2019-11-05 | | Release date: | 2020-02-12 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Synthesis and Biological Validation of a Harmine-Based, Central Nervous System (CNS)-Avoidant, Selective, Human beta-Cell Regenerative Dual-Specificity Tyrosine Phosphorylation-Regulated Kinase A (DYRK1A) Inhibitor.
J.Med.Chem., 63, 2020
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6AWZ
 | | Structure of PR-10 allergen from peanut (Ara h 8.01). | | Descriptor: | Ara h 8 allergen, SODIUM ION, TETRAETHYLENE GLYCOL | | Authors: | Offermann, L.R, Majorek, K, McBride, J, Hurlburt, B.K, Maleki, S.J, Pote, S.S, Chruszcz, M. | | Deposit date: | 2017-09-06 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of PR-10 Allergen Ara h 8.01.
To Be Published
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6SRK
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5MZK
 | | Pseudomonas fluorescens kynurenine 3-monooxygenase (KMO) in complex with 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid | | Descriptor: | 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Rowland, P. | | Deposit date: | 2017-01-31 | | Release date: | 2017-04-19 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis.
J. Med. Chem., 60, 2017
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5MZQ
 | | X-ray structure of the M205W mutant of GLIC in complex with bromoform | | Descriptor: | (3R)-3-(dodecanoyloxy)tetradecanoic acid, 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ACETATE ION, ... | | Authors: | Fourati, Z, Delarue, M. | | Deposit date: | 2017-02-01 | | Release date: | 2018-02-28 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for a Bimodal Allosteric Mechanism of General Anesthetic Modulation in Pentameric Ligand-Gated Ion Channels.
Cell Rep, 23, 2018
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3ZDM
 | | Crystal structure of the Sgt2 N domain and the Get5 UBL domain complex | | Descriptor: | SMALL GLUTAMINE-RICH TETRATRICOPEPTIDE REPEAT- CONTAINING PROTEIN 2, UBIQUITIN-LIKE PROTEIN MDY2 | | Authors: | Tung, J.-Y, Li, Y.-C, Hsiao, C.-D. | | Deposit date: | 2012-11-29 | | Release date: | 2013-10-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.803 Å) | | Cite: | Structure of the Sgt2 Dimerization Domain Complexed with the Get5 Ubl Domain Involved in the Targeting of Tail-Anchored Membrane Proteins to the Endoplasmic Reticulum.
Acta Crystallogr.,Sect.D, 69, 2013
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6URT
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8D3U
 | | Human alpha3 Na+/K+-ATPase in its Na+-occluded state | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, FXYD domain-containing ion transport regulator 6, Sodium/potassium-transporting ATPase subunit alpha-3, ... | | Authors: | Nguyen, P.T, Bai, X. | | Deposit date: | 2022-06-01 | | Release date: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural basis for gating mechanism of the human sodium-potassium pump.
Nat Commun, 13, 2022
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6J49
 | | Grafting VLADV sequence into OspAsm1 | | Descriptor: | Outer surface protein A, TETRAETHYLENE GLYCOL | | Authors: | Makabe, K, Hori, Y. | | Deposit date: | 2019-01-08 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Grafting a short chameleon sequence from alpha B crystallin into a beta-sheet scaffold protein.
Proteins, 87, 2019
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7ATH
 | | Crystal structure of UipA | | Descriptor: | UipA, ZINC ION | | Authors: | Bremond, N, Gallois, N, Legrand, P, Chapon, V, Arnoux, P. | | Deposit date: | 2020-10-30 | | Release date: | 2021-10-06 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.343 Å) | | Cite: | Discovery and characterization of UipA, a uranium- and iron-binding PepSY protein involved in uranium tolerance by soil bacteria.
Isme J, 16, 2022
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7ATK
 | | Crystal structure of UipA in complex with Uranium | | Descriptor: | URANIUM ATOM, UipA, ZINC ION | | Authors: | Bremond, N, Gallois, N, Legrand, P, Chapon, V, Arnoux, P. | | Deposit date: | 2020-10-30 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.855 Å) | | Cite: | Discovery and characterization of UipA, a uranium- and iron-binding PepSY protein involved in uranium tolerance by soil bacteria.
Isme J, 16, 2022
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6VC7
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5NCO
 | | Quaternary complex between SRP, SR, and SecYEG bound to the translating ribosome | | Descriptor: | 23S rRNA, 4.5S SRP RNA (Ffs), 50S ribosomal protein L10, ... | | Authors: | Jomaa, A, Hwang Fu, Y, Boerhinger, D, Leibundgut, M, Shan, S.O, Ban, N. | | Deposit date: | 2017-03-06 | | Release date: | 2017-05-24 | | Last modified: | 2018-03-28 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structure of the quaternary complex between SRP, SR, and translocon bound to the translating ribosome.
Nat Commun, 8, 2017
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6UR9
 | | DNA polymerase I Large Fragment from Bacillus stearothermophilus with DNA template, dideoxy primer, 3'-amino-ddGTP (nGTP), and Ca2+ | | Descriptor: | 3'-amino-2',3'-dideoxyguanosine 5'-(tetrahydrogen triphosphate), CALCIUM ION, DNA (5'-D(*CP*AP*CP*GP*CP*TP*GP*AP*TP*CP*GP*CP*A)-3'), ... | | Authors: | Zhang, W, Lelyveld, V.S, Szostak, J.W. | | Deposit date: | 2019-10-22 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Synthesis of phosphoramidate-linked DNA by a modified DNA polymerase.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5NPE
 | | Crystal Structure of cjAgd31B (alpha-transglucosylase from Glycoside Hydrolase Family 31) in complex with beta Cyclophellitol Aziridine probe KY358 | | Descriptor: | (1~{R},2~{S},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, OXALATE ION, ... | | Authors: | Wu, L, Davies, G.J. | | Deposit date: | 2017-04-16 | | Release date: | 2017-08-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | 1,6-Cyclophellitol Cyclosulfates: A New Class of Irreversible Glycosidase Inhibitor.
ACS Cent Sci, 3, 2017
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5MZC
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7AP5
 | | Crystal structure of phycoerythrin from cyanobacterium Nostoc sp. WR13 contains multiple stacks of hexameric assemblies which resemble the rods of phycobilisome. | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | | Authors: | Patel, H.M, Roszak, A.W, Cogdell, R.J, Madamwar, D, Liu, H, Gross, M.L, Blankenship, R.E. | | Deposit date: | 2020-10-15 | | Release date: | 2021-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.131 Å) | | Cite: | The crystal stacks of hexameric assemblies of phycoerythrin from cyanobacterium Nostoc sp. WR13 resemble rods of phycobilisome
To Be Published
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7T21
 | | E. coli DnaB bound to ssDNA and ADP-AlF4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ... | | Authors: | Oakley, A.J, Xu, Z.Q. | | Deposit date: | 2021-12-02 | | Release date: | 2023-01-18 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (5.4 Å) | | Cite: | Sequence of conformation changes of DnaB helicase during DNA unwinding and priming in Escherichia coli
To Be Published
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6SRP
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7T23
 | | E. coli DnaB bound to two DnaG C-terminal domains, ssDNA, ADP and AlF4 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA primase, ... | | Authors: | Oakley, A.J, Xu, Z.Q. | | Deposit date: | 2021-12-02 | | Release date: | 2023-01-18 | | Last modified: | 2023-05-31 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Sequence of conformation changes of DnaB helicase during DNA unwinding and priming in Escherichia coli
To Be Published
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