6VCO
 
 | | Crystal structure of E.coli RppH in complex with ppcpA | | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, RNA pyrophosphohydrolase | | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | | Deposit date: | 2019-12-21 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
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8DZ5
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8DYX
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6YHE
 | | tRNA-Guanine Transglycosylase (TGT) labeled with 5-fluorotryptophan in co-crystallized complex with 6-amino-4-(2-((3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)ethyl)-2-(methylamino)-1H-imidazo[4,5-g]quinazolin-8(7H)-one | | Descriptor: | 4-[2-[(3~{a}~{R},4~{R},6~{R},6~{a}~{R})-4-methoxy-2,2-dimethyl-3~{a},4,6,6~{a}-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethyl]-6-azanyl-2-(methylamino)-1,7-dihydroimidazo[4,5-g]quinazolin-8-one, Queuine tRNA-ribosyltransferase, ZINC ION | | Authors: | Nguyen, A, Heine, A, Klebe, G. | | Deposit date: | 2020-03-29 | | Release date: | 2020-04-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Co-crystallization, 19F NMR and nanoESI-MS reveal dimer disturbing inhibitors and conformational changes at dimer contacts
To Be Published
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8DZ4
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8VQ1
 | | Pseudomonas fluorescens G150T isocyanide hydratase at 298 K XFEL data, thioimidate intermediate | | Descriptor: | CHLORIDE ION, Isonitrile hydratase InhA, N-(4-nitrophenyl)methanimine | | Authors: | Wilson, M.A, Smith, N, Dasgupta, M, Dolamore, C. | | Deposit date: | 2024-01-17 | | Release date: | 2024-02-21 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Changes in an enzyme ensemble during catalysis observed by high-resolution XFEL crystallography.
Sci Adv, 10, 2024
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6PJM
 | | HIV-1 Protease NL4-3 WT in Complex with LR2-35 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]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 (1.93 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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5M5O
 | | Pseudo-atomic model of microtubule-bound S.pombe kinesin-5 motor domain in the AMPPNP state (based on cryo-electron microscopy experiment): the N-terminus adopts multiple conformations. | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein cut7, ... | | Authors: | Goulet, A, Moores, C.A, Cross, R.A. | | Deposit date: | 2016-10-22 | | Release date: | 2016-11-30 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (9.3 Å) | | Cite: | Schizosaccharomyces pombe kinesin-5 switches direction using a steric blocking mechanism.
Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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8B9R
 | | Molecular structure of Cu(II)-bound amyloid-beta monomer implicated in inhibition of peptide self-assembly in Alzheimer's disease | | Descriptor: | Amyloid-beta A4 protein, COPPER (II) ION | | Authors: | Abelein, A, Ciofi-Baffoni, S, Morman, C, Kumar, R, Giachetti, A, Piccioli, M, Biverstal, H. | | Deposit date: | 2022-10-06 | | Release date: | 2023-02-01 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Molecular Structure of Cu(II)-Bound Amyloid-beta Monomer Implicated in Inhibition of Peptide Self-Assembly in Alzheimer's Disease.
Jacs Au, 2, 2022
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6YK7
 | | Crystal structure of p38 in complex with SR43 | | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14 | | Authors: | Chaikuad, A, Roehm, S, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-04-05 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selective targeting of the alpha C and DFG-out pocket in p38 MAPK.
Eur.J.Med.Chem., 208, 2020
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7B53
 | | Crystal structure of MurE from E.coli | | Descriptor: | 1,2-ETHANEDIOL, UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase | | Authors: | Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-03 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Crystal structure of MurE from E.coli
To Be Published
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6YNX
 | | Cryo-EM structure of Tetrahymena thermophila mitochondrial ATP synthase - Fo-subcomplex | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Kock Flygaard, R, Muhleip, A, Amunts, A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-09-30 | | Last modified: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Type III ATP synthase is a symmetry-deviated dimer that induces membrane curvature through tetramerization.
Nat Commun, 11, 2020
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6VCL
 | | Crystal structure of E.coli RppH-DapF in complex with pppGpp, Mg2+ and F- | | Descriptor: | CHLORIDE ION, Diaminopimelate epimerase, FLUORIDE ION, ... | | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | | Deposit date: | 2019-12-21 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
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6V88
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5MF2
 | | Bacteriophage T5 distal tail protein pb9 co-crystallized with Tb-Xo4 | | Descriptor: | CHLORIDE ION, Distal tail protein, TERBIUM(III) ION, ... | | Authors: | Engilberge, S, Riobe, F, Di Pietro, S, Lassalle, L, Arnaud, C.-A, Breyton, C, Madern, D, Coquelle, N, Maury, O, Girard, E. | | Deposit date: | 2016-11-17 | | Release date: | 2017-09-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallophore: a versatile lanthanide complex for protein crystallography combining nucleating effects, phasing properties, and luminescence.
Chem Sci, 8, 2017
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5MAD
 | | GFP-binding DARPin 3G61 | | Descriptor: | 3G61, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ... | | Authors: | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | | Deposit date: | 2016-11-03 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
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8W2W
 | | Structure of transthyretin synthetic mutation A120L | | Descriptor: | Transthyretin | | Authors: | Yang, K, Sun, X, Ferguson, J.A, Stanfield, R.L, Wright, P.E. | | Deposit date: | 2024-02-21 | | Release date: | 2024-02-28 | | Last modified: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Mispacking of the F87 sidechain drives aggregation-promoting conformational fluctuations in the subunit interfaces of the transthyretin tetramer.
Protein Sci., 33, 2024
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8VLB
 | | Crystal structure of EloBC-VHL-CDO1 complex bound to compound 4 molecular glue | | Descriptor: | CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ... | | Authors: | Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G. | | Deposit date: | 2024-01-11 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | A small molecule VHL molecular glue degrader for cysteine dioxygenase 1
To Be Published
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6YO1
 | | Crystal structure of ribonuclease A solved by vanadium SAD phasing | | Descriptor: | Ribonuclease pancreatic, URIDINE-2',3'-VANADATE | | Authors: | El Omari, K, Mohamad, N, Bountra, K, Duman, R, Romano, M, Schlegel, K, Kwong, H, Mykhaylyk, V, Olesen, C.E, Moller, J.V, Bublitz, M, Beis, K, Wagner, A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-11-04 | | Last modified: | 2020-12-02 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Experimental phasing with vanadium and application to nucleotide-binding membrane proteins.
Iucrj, 7, 2020
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8VXC
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6PEG
 | | MIF with a allosteric inhibitor | | Descriptor: | 4-amino-5-hydroxy-6-[(E)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid, ACETATE ION, GLYCEROL, ... | | Authors: | Asojo, O.A. | | Deposit date: | 2019-06-20 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Inhibition of Macrophage Migration Inhibitory Factor by a Chimera of Two Allosteric Binders.
Acs Med.Chem.Lett., 11, 2020
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8VL9
 | | Crystal structure of EloBC-VHL-CDO1 complex bound to compound 8 molecular glue | | Descriptor: | CITRIC ACID, Cysteine dioxygenase type 1, Elongin-B, ... | | Authors: | Shu, W, Ma, X, Tutter, A, Buckley, D, Golosov, A, Michaud, G. | | Deposit date: | 2024-01-11 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A small molecule VHL molecular glue degrader for cysteine dioxygenase 1
To Be Published
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7PCA
 | | Functional and structural characterization of redox sensitive superfolder green fluorescent protein and variants | | Descriptor: | ETHANOL, FORMAMIDE, GLYCEROL, ... | | Authors: | Fritz-Wolf, K, Heimsch, K.C, Schuh, A.K, Becker, K. | | Deposit date: | 2021-08-03 | | Release date: | 2022-02-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | Structure and Function of Redox-Sensitive Superfolder Green Fluorescent Protein Variant.
Antioxid.Redox Signal., 37, 2022
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8BDW
 | | Crystal structure of CnaB2 domain from Lactobacillus plantarum | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell surface adherence protein,collagen-binding domain, LPXTG-motif cell wall anchor, ... | | Authors: | Taberman, H, Hakanpaa, J, Linder, M.B, Aranko, A.S. | | Deposit date: | 2022-10-20 | | Release date: | 2023-02-22 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Biomolecular Click Reactions Using a Minimal pH-Activated Catcher/Tag Pair for Producing Native-Sized Spider-Silk Proteins.
Angew.Chem.Int.Ed.Engl., 62, 2023
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5MJ2
 | | Extracellular domain of human CD83 - rhombohedral crystal form after UV-RIP (S-SAD data) | | Descriptor: | CD83 antigen, DI(HYDROXYETHYL)ETHER | | Authors: | Klingl, S, Egerer-Sieber, C, Schmid, B, Weiler, S, Muller, Y.A. | | Deposit date: | 2016-11-29 | | Release date: | 2017-03-29 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Crystal Structure of the Extracellular Domain of the Human Dendritic Cell Surface Marker CD83.
J. Mol. Biol., 429, 2017
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