7DU3
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![BU of 7du3 by Molmil](/molmil-images/mine/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
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![BU of 6sac by Molmil](/molmil-images/mine/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
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![BU of 8czx by Molmil](/molmil-images/mine/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-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate, ... | Authors: | Machen, A.J, Lovell, S, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-05-25 | Release date: | 2022-06-22 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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8CZW
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![BU of 8czw by Molmil](/molmil-images/mine/8czw) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 15d | Descriptor: | 3C-like proteinase, TETRAETHYLENE GLYCOL, [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$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
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![BU of 6vc9 by Molmil](/molmil-images/mine/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
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![BU of 6uwy by Molmil](/molmil-images/mine/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
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![BU of 6awz by Molmil](/molmil-images/mine/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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![BU of 6srk by Molmil](/molmil-images/mine/6srk) | |
5MZK
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![BU of 5mzk by Molmil](/molmil-images/mine/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
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![BU of 5mzq by Molmil](/molmil-images/mine/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
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![BU of 3zdm by Molmil](/molmil-images/mine/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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![BU of 6urt by Molmil](/molmil-images/mine/6urt) | |
8D3U
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![BU of 8d3u by Molmil](/molmil-images/mine/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
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![BU of 6j49 by Molmil](/molmil-images/mine/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
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![BU of 7ath by Molmil](/molmil-images/mine/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
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![BU of 7atk by Molmil](/molmil-images/mine/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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![BU of 6vc7 by Molmil](/molmil-images/mine/6vc7) | |
5NCO
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![BU of 5nco by Molmil](/molmil-images/mine/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
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![BU of 6ur9 by Molmil](/molmil-images/mine/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
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![BU of 5npe by Molmil](/molmil-images/mine/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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![BU of 5mzc by Molmil](/molmil-images/mine/5mzc) | |
7AP5
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![BU of 7ap5 by Molmil](/molmil-images/mine/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
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![BU of 7t21 by Molmil](/molmil-images/mine/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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![BU of 6srp by Molmil](/molmil-images/mine/6srp) | |
7T23
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![BU of 7t23 by Molmil](/molmil-images/mine/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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