8DXJ
 
 | | HIV-1 reverse transcriptase/rilpivirine with bound fragment 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine at the NNRTI adjacent site | | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | | Deposit date: | 2022-08-02 | | Release date: | 2023-05-31 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening.
J.Med.Chem., 66, 2023
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8SR0
 | | CryoEM structure of a therapeutic antibody (favezelimab) bound to human LAG3 local refined | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lymphocyte activation gene 3 protein, favezelimab Fab heavy chain, ... | | Authors: | Mishra, A.K, Shahid, S, Karade, S.S, Mariuzza, R.A. | | Deposit date: | 2023-05-05 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | CryoEM structure of a therapeutic antibody (favezelimab) bound to human LAG3 determined using a bivalent Fab as fiducial marker.
Structure, 31, 2023
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6WPX
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6OOD
 | | Structure of the pterocarpan synthase dirigent protein PsPTS1 | | Descriptor: | pterocarpan synthase dirigent protein PsPTS1 | | Authors: | Smith, C.A. | | Deposit date: | 2019-04-23 | | Release date: | 2020-04-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Pterocarpan synthase (PTS) structures suggest a common quinone methide-stabilizing function in dirigent proteins and proteins with dirigent-like domains.
J.Biol.Chem., 295, 2020
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8DTA
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7S5F
 | | Crystal structure of mannose-6-phosphate reductase from celery (Apium graveolens) leaves with NADP+ and mannonic acid bound | | Descriptor: | D-MANNONIC ACID, Manose-6-phosphate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Zheng, Y, Bhayani, J.A, Romina, I.M, Hartman, M.D, Cereijo, A.E, Ballicora, M.A, Iglesias, A.A, Figueroa, C.M, Liu, D. | | Deposit date: | 2021-09-10 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural Determinants of Sugar Alcohol Biosynthesis in Plants: The Crystal Structures of Mannose-6-Phosphate and Aldose-6-Phosphate Reductases.
Plant Cell.Physiol., 63, 2022
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8BGA
 | | Structure of Mpro in complex with FGA146 | | Descriptor: | 3C-like proteinase nsp5, 4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide | | Authors: | Medrano, F.J, Romero, A. | | Deposit date: | 2022-10-27 | | Release date: | 2023-11-08 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.982 Å) | | Cite: | Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2.
Commun Chem, 7, 2024
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8BJ6
 | | Crystal structure of YopR | | Descriptor: | SPbeta prophage-derived uncharacterized protein YopR | | Authors: | Gallego del Sol, F, Marina, A. | | Deposit date: | 2022-11-03 | | Release date: | 2023-11-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Characterization of a unique repression system present in arbitrium phages of the SPbeta family.
Cell Host Microbe, 31, 2023
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6UAS
 | | Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase (E199A mutant) from Amycolatopsis mediterranei (AmGH128_I) in complex with laminaripentaose | | Descriptor: | DI(HYDROXYETHYL)ETHER, Glycoside Hydrolase, ZINC ION, ... | | Authors: | Vieira, P.S, Cabral, L, Costa, P.A.C.R, Santos, C.R, Murakami, M.T. | | Deposit date: | 2019-09-11 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
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6O4M
 | | Racemic melittin | | Descriptor: | D-Melittin, Melittin, SULFATE ION | | Authors: | Kurgan, K.W, Bingman, C.A, Gellman, S.H, Forest, K.T. | | Deposit date: | 2019-02-28 | | Release date: | 2019-05-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.27 Å) | | Cite: | Retention of Native Quaternary Structure in Racemic Melittin Crystals.
J.Am.Chem.Soc., 141, 2019
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5IGT
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7NBJ
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6O50
 | | Binary complex of native hAChE with BW284c51 | | Descriptor: | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM, Acetylcholinesterase, GLYCEROL, ... | | Authors: | Gerlits, O, Kovalevsky, A, Radic, Z. | | Deposit date: | 2019-03-01 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.352 Å) | | Cite: | A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.
Chem.Biol.Interact., 309, 2019
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6UB6
 | | Crystal structure of a GH128 (subgroup IV) endo-beta-1,3-glucanase from Lentinula edodes (LeGH128_IV) in complex with laminaritetraose | | Descriptor: | CHLORIDE ION, Endo-beta-1,3-glucanase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ... | | Authors: | Santos, C.R, Lima, E.A, Mandelli, F, Murakami, M.T. | | Deposit date: | 2019-09-11 | | Release date: | 2020-05-20 | | Last modified: | 2020-08-05 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
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7AAQ
 | | sugar/H+ symporter STP10 in outward occluded conformation | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, ACETATE ION, ... | | Authors: | Bavnhoej, L, Paulsen, P.A, Pedersen, B.P. | | Deposit date: | 2020-09-04 | | Release date: | 2021-08-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Molecular mechanism of sugar transport in plants unveiled by structures of glucose/H + symporter STP10.
Nat.Plants, 7, 2021
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7NBM
 | | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the bisubstrate-like inhibitor (33) | | Descriptor: | (E)-3-((5,6-dihydro-2H,4H-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one, Nicotinamide N-methyltransferase | | Authors: | Schreuder, H.A, Liesum, A. | | Deposit date: | 2021-01-27 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.691 Å) | | Cite: | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
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7NBQ
 | | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (4) | | Descriptor: | 2-methyl-1,2,6,7-tetrahydro-3H,5H-pyrido[3,2,1-ij]quinazolin-3-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Schreuder, H.A, Liesum, A. | | Deposit date: | 2021-01-27 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.479 Å) | | Cite: | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
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7NIO
 | | Crystal structure of the SARS-CoV-2 helicase APO form | | Descriptor: | SARS-CoV-2 helicase NSP13, ZINC ION | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | | Deposit date: | 2021-02-12 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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6O62
 | | Crystal structure of Sec4p, a Rab family GTPase from Candida albicans | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Ras-related protein SEC4 | | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-03-05 | | Release date: | 2019-04-03 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | To be published
To Be Published
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7A3A
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7NLJ
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7ONH
 | | Crystal structure of the computationally designed SAKe6BE-L3 protein | | Descriptor: | SAKe6BE-L3, SULFATE ION | | Authors: | Wouters, S.M.L, Noguchi, H, Velpula, G, Clarke, D.E, Voet, A.R.D, De Feyter, S. | | Deposit date: | 2021-05-25 | | Release date: | 2022-12-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | SAKe: Computationally Designed Modular Protein Building Blocks for Macromolecular Assemblies
To be published
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5LOE
 | | Structure of full length Cody from Bacillus subtilis in complex with Ile | | Descriptor: | GTP-sensing transcriptional pleiotropic repressor CodY, ISOLEUCINE | | Authors: | Wilkinson, A.J, Levdikov, V.M, Blagova, E.V. | | Deposit date: | 2016-08-09 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of the Branched-chain Amino Acid and GTP-sensing Global Regulator, CodY, from Bacillus subtilis.
J. Biol. Chem., 292, 2017
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7NN0
 | | Crystal structure of the SARS-CoV-2 helicase in complex with AMP-PNP | | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SARS-CoV-2 helicase NSP13, ... | | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Bountra, C, Gileadi, O. | | Deposit date: | 2021-02-23 | | Release date: | 2021-03-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.04 Å) | | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase.
Nat Commun, 12, 2021
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8SSF
 | | Minimal protein-only/RNA-free Ribonuclease P from Hydrogenobacter thermophilus | | Descriptor: | RNA-free ribonuclease P, SULFATE ION | | Authors: | Mendoza, J, Mallik, L, Wilhelm, C.A, Koutmos, M. | | Deposit date: | 2023-05-08 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Bacterial RNA-free RNase P: Structural and functional characterization of multiple oligomeric forms of a minimal protein-only ribonuclease P.
J.Biol.Chem., 299, 2023
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