6V23
 
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8G4W
 | | Cryo-EM consensus structure of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase plus preQ1 ligand | | Descriptor: | 7-DEAZA-7-AMINOMETHYL-GUANINE, DNA (31-MER), DNA (39-mer), ... | | Authors: | Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G. | | Deposit date: | 2023-02-10 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
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8VHU
 | | Crystal structure of dATP bound E. coli class Ia ribonucleotide reductase alpha construct fused with the C-terminal tail of E. coli class Ia beta subunit | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CHLORIDE ION, Fusion protein of Ribonucleoside-diphosphate reductase 1 subunits alpha and beta, ... | | Authors: | Funk, M.A, Zimanyi, C.M, Drennan, C.L. | | Deposit date: | 2024-01-02 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | How ATP and dATP Act as Molecular Switches to Regulate Enzymatic Activity in the Prototypical Bacterial Class Ia Ribonucleotide Reductase.
Biochemistry, 63, 2024
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8B1S
 | | co-crystal of SUDV VP40 with salicylic acid | | Descriptor: | 2-HYDROXYBENZOIC ACID, Matrix protein VP40 | | Authors: | Werner, A.-D, Krapoth, N, Norris, M.J, Heine, A, Klebe, G, Ollmann Saphire, E, Becker, S. | | Deposit date: | 2022-09-12 | | Release date: | 2023-09-27 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Development of a Crystallographic Screening to Identify Sudan Virus VP40 Ligands.
Acs Omega, 9, 2024
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8G8Z
 | | Cryo-EM structure of 3DVA component 1 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase plus preQ1 ligand | | Descriptor: | 7-DEAZA-7-AMINOMETHYL-GUANINE, DNA (31-MER), DNA (39-MER), ... | | Authors: | Porta, J.C, Ohi, M.D, Walter, N.G, Frank, A.T, Deb, I, Meze, K. | | Deposit date: | 2023-02-20 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
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6XCO
 | | Immune receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, GLYCEROL, ... | | Authors: | Tran, T.M, Faridi, P, Lim, J.J, Ting, T.Y, Onwukwe, G, Bhattacharjee, P, Jones, M.C, Tresoldi, E, Cameron, J.F, La-Gruta, L.N, Purcell, W.A, Mannering, I.S, Rossjohn, J, Reid, H.H. | | Deposit date: | 2020-06-08 | | Release date: | 2021-07-14 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | T cell receptor recognition of hybrid insulin peptides bound to HLA-DQ8.
Nat Commun, 12, 2021
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6URN
 | | Barrier-to-autointegration factor t-butanol: 1 of 14 in MSCS set | | Descriptor: | Barrier-to-autointegration factor, ETHANOL | | Authors: | Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C. | | Deposit date: | 2019-10-23 | | Release date: | 2020-10-07 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
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6P9E
 | | Crystal structure of IL-36gamma complexed to A-552 | | Descriptor: | (2S)-2-{[4-(3-amino-4-methylphenyl)-6-methylpyrimidin-2-yl]oxy}-3-methoxy-3,3-diphenylpropanoic acid, Interleukin-36 gamma | | Authors: | Argiriadi, M.A, Todorovic, T, Su, Z, Putman, B, Kakavas, S.J, Salte, K.M, McDonald, H.A, Wetter, J.B, Paulsboe, S.E, Sun, Q, Gerstein, C.E, Medina, L, Sielaff, B, Sadhukhan, R, Stockmann, H, Richardson, P.L, Qiu, W, Henry, R.F, Herold, J.M, Shotwell, J.B, McGaraughty, S.P, Honore, P, Gopalakrishnan, S.M, Sun, C.C, Scott, V.E. | | Deposit date: | 2019-06-10 | | Release date: | 2019-06-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Small Molecule IL-36 gamma Antagonist as a Novel Therapeutic Approach for Plaque Psoriasis.
Sci Rep, 9, 2019
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4R6R
 | | Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. | | Descriptor: | 1,2-ETHANEDIOL, 4-nitrophenyl beta-D-galactopyranoside, Agglutinin alpha chain, ... | | Authors: | Abhinav, K.V, Sharma, K, Swaminathan, C.P, Surolia, A, Vijayan, M. | | Deposit date: | 2014-08-26 | | Release date: | 2015-02-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity.
Acta Crystallogr.,Sect.D, 71, 2015
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8ANV
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8UX9
 | | Asymmetric unit of the PARIS Immune Complex at 3.2 Angstrom Resolution | | Descriptor: | AriA, AriB, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | | Authors: | Burman, N.B, Henriques, W, Wilkinson, R, Graham, A, Wiedenheft, B. | | Deposit date: | 2023-11-09 | | Release date: | 2024-09-18 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Activation of the PARIS immune complex results in tRNA cleavage and can be subverted by viral tRNAs
To Be Published
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8UF4
 | | Crystal structure of wildtype dystroglycan proteolytic domain (juxtamembrane domain) | | Descriptor: | Beta-dystroglycan, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Anderson, M.J.M, Shi, K, Hayward, A.N, Uhlens, C, Evans III, R.L, Grant, E, Greenberg, L, Aihara, H, Gordon, W.R. | | Deposit date: | 2023-10-03 | | Release date: | 2024-09-11 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Structural and Functional Analysis of Dystroglycan Cell Surface Cleavage Reveals a Novel Regulation Mechanism
To Be Published
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8V8K
 | | Crystal Structure of Nanobody NbE | | Descriptor: | Nanobody NbE | | Authors: | Koehl, A, Manglik, A, Yu, J, Kumar, A, Zhang, X, Martin, C, Raia, P, Steyaert, J, Ballet, S, Boland, A, Stoeber, M. | | Deposit date: | 2023-12-05 | | Release date: | 2024-09-11 | | Last modified: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structural Basis of mu-Opioid Receptor-Targeting by a Nanobody Antagonist
To Be Published
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6UV2
 | | Crystal structure of the core domain of RNA helicase DDX17 with RNA pri-125a-oligo1 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ... | | Authors: | Ngo, T.D, Partin, A.C, Nam, Y. | | Deposit date: | 2019-11-01 | | Release date: | 2020-01-01 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.894 Å) | | Cite: | RNA Specificity and Autoregulation of DDX17, a Modulator of MicroRNA Biogenesis.
Cell Rep, 29, 2019
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6UVM
 | | Cocrystal of BRD4(D1) with a methyl carbamate thiazepane inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 1-[(7S)-7-(thiophen-2-yl)-6,7-dihydro-1,4-thiazepin-4(5H)-yl]ethan-1-one, Bromodomain-containing protein 4 | | Authors: | Johnson, J.A, Pomerantz, W.C.K. | | Deposit date: | 2019-11-03 | | Release date: | 2020-01-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Evaluating the Advantages of Using 3D-Enriched Fragments for Targeting BET Bromodomains.
Acs Med.Chem.Lett., 10, 2019
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8DNL
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8E74
 | | Mycobacterium tuberculosis RNAP paused elongation complex with NusG transcription factor | | Descriptor: | DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Delbeau, M, Darst, S.A, Campbell, E.A. | | Deposit date: | 2022-08-23 | | Release date: | 2023-03-22 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis.
Mol.Cell, 83, 2023
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6XQ5
 | | Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 1 | | Descriptor: | 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, Advanced glycosylation end product-specific receptor, ... | | Authors: | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | | Deposit date: | 2020-07-09 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
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6P9V
 | | Crystal Structure of hMAT Mutant K289L | | Descriptor: | ADENOSINE, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Miller, M.D, Xu, W, Huber, T.D, Clinger, J.A, Liu, Y, Thorson, J.S, Phillips Jr, G.N. | | Deposit date: | 2019-06-10 | | Release date: | 2020-04-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.051 Å) | | Cite: | Methionine Adenosyltransferase Engineering to Enable Bioorthogonal Platforms for AdoMet-Utilizing Enzymes.
Acs Chem.Biol., 15, 2020
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6PJE
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-43 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate, Protease NL4-3, SULFATE ION | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-06-28 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.922 Å) | | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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6PJO
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-42 | | Descriptor: | Protease NL4-3, SULFATE ION, methyl [(1S)-1-cyclopentyl-2-({(2S,4S,5S)-5-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl}amino)-2-oxoethyl]carbamate | | Authors: | Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A. | | Deposit date: | 2019-06-28 | | Release date: | 2020-07-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Analysis of Potent Hybrid HIV-1 Protease Inhibitors Containing Bis-tetrahydrofuran in a Pseudosymmetric Dipeptide Isostere.
J.Med.Chem., 63, 2020
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8DSU
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8E79
 | | Mycobacterium tuberculosis RNAP paused elongation complex with Escherichia coli NusG transcription factor | | Descriptor: | DNA (54-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | | Authors: | Delbeau, M, Darst, S.A, Campbell, E.A. | | Deposit date: | 2022-08-23 | | Release date: | 2023-03-22 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.71 Å) | | Cite: | Structural and functional basis of the universal transcription factor NusG pro-pausing activity in Mycobacterium tuberculosis.
Mol.Cell, 83, 2023
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6XQ9
 | | Receptor for Advanced Glycation End Products VC1 domain in complex with Fragments 1 & 13 | | Descriptor: | 4-(3-hydroxyphenoxy)benzoic acid, 7-methyl-3-phenyl-1H-indole-2-carboxylic acid, ACETATE ION, ... | | Authors: | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | | Deposit date: | 2020-07-09 | | Release date: | 2021-07-14 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors.
Proteins, 89, 2021
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8G7E
 | | Cryo-EM structure of 3DVA component 0 of Escherichia coli que-PEC (paused elongation complex) RNA Polymerase plus preQ1 ligand | | Descriptor: | 7-DEAZA-7-AMINOMETHYL-GUANINE, DNA (31-MER), DNA (39-mer), ... | | Authors: | Porta, J.C, Chauvier, A, Deb, I, Ellinger, E, Frank, A.T, Meze, K, Ohi, M.D, Walter, N.G. | | Deposit date: | 2023-02-16 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis for control of bacterial RNA polymerase pausing by a riboswitch and its ligand.
Nat.Struct.Mol.Biol., 30, 2023
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