7T6Y
 
 | | d((CGA)5TGA) parallel-stranded homo-duplex | | Descriptor: | BARIUM ION, DNA (5'-D(*CP*GP*AP*CP*GP*AP*CP*GP*AP*CP*GP*AP*CP*GP*AP*TP*GP*A)-3') | | Authors: | Luteran, E.M, Paukstelis, P.J. | | Deposit date: | 2021-12-14 | | Release date: | 2021-12-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The parallel-stranded d(CGA) duplex is a highly predictable structural motif with two conformationally distinct strands.
Acta Crystallogr D Struct Biol, 78, 2022
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6SIT
 | | Pseudo-atomic crystal structure of the desmoglein 2 - human adenovirus serotype 3 fibre knob complex | | Descriptor: | CALCIUM ION, Desmoglein-2, Fiber protein | | Authors: | Burmeister, W.P, Fender, P, Vassal-Stermann, E. | | Deposit date: | 2019-08-11 | | Release date: | 2019-12-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (4.5 Å) | | Cite: | Intermediate-resolution crystal structure of the human adenovirus B serotype 3 fibre knob in complex with the EC2-EC3 fragment of desmoglein 2.
Acta Crystallogr.,Sect.F, 75, 2019
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8A2Q
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6EZN
 | | Cryo-EM structure of the yeast oligosaccharyltransferase (OST) complex | | Descriptor: | 1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wild, R, Kowal, J, Eyring, J, Ngwa, E.M, Aebi, M, Locher, K.P. | | Deposit date: | 2017-11-16 | | Release date: | 2018-01-17 | | Last modified: | 2022-12-07 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Molecular basis for glycan recognition and reaction priming of eukaryotic oligosaccharyltransferase.
Nat Commun, 13, 2022
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6V8D
 | | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators | | Descriptor: | (3Z)-3-iminocyclohex-1-ene-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | | Authors: | Zhu, W, Doubleday, P.T, Catlin, D.S, Weerawarna, P, Butrin, A, Shen, S, Kelleher, N.L, Liu, D, Silverman, R.B. | | Deposit date: | 2019-12-10 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Design, Synthesis, and Mechanism of Fluorine-substituted Cyclohexene Analogues of GAMA-Aminobutyric Acid (GABA) as Selective Ornithine Aminotransferase Inactivators
To Be Published
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5A4K
 | | Crystal structure of the R139W variant of human NAD(P)H:quinone oxidoreductase | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H DEHYDROGENASE [QUINONE] 1 | | Authors: | Lienhart, W.D, Strandback, E, Gudipati, V, Uhl, M.K, Rantase, D.M, Zangger, K, Gruber, K, Macheroux, P. | | Deposit date: | 2015-06-10 | | Release date: | 2016-06-29 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.093 Å) | | Cite: | Catalytic competence, structure and stability of the cancer-associated R139W variant of the human NAD(P)H:quinone oxidoreductase 1 (NQO1).
FEBS J., 284, 2017
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8G0G
 | | Crystal structure of diphtheria toxin H223Q/H257Q double mutant (pH 4.5) | | Descriptor: | ADENYLYL-3'-5'-PHOSPHO-URIDINE-3'-MONOPHOSPHATE, Diphtheria toxin | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Ladokhin, A.S. | | Deposit date: | 2023-01-31 | | Release date: | 2023-07-05 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Histidine Protonation and Conformational Switching in Diphtheria Toxin Translocation Domain.
Toxins, 15, 2023
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7ZXY
 | | 3.15 Angstrom cryo-EM structure of the dimeric cytochrome b6f complex from Synechocystis sp. PCC 6803 with natively bound plastoquinone and lipid molecules. | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, CHLOROPHYLL A, Cytochrome B6, ... | | Authors: | Malone, L.A, Procter, M.S, Farmer, D.F, Swainsbury, D.J.K, Hawkings, F.R, Pastorelli, F, Emrich-Mills, T.Z, Siebert, A, Hunter, C.N, Hitchcock, A, Johnson, M.P. | | Deposit date: | 2022-05-23 | | Release date: | 2022-07-06 | | Last modified: | 2022-07-27 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | Cryo-EM structures of the Synechocystis sp. PCC 6803 cytochrome b6f complex with and without the regulatory PetP subunit.
Biochem.J., 479, 2022
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6XFJ
 | | Crystal structure of the type III secretion pilotin InvH | | Descriptor: | CADMIUM ION, CHLORIDE ION, SODIUM ION, ... | | Authors: | Majewski, D.D, Okon, M, Heinkel, F, Robb, C.S, Vuckovic, M, McIntosh, L.P, Strynadka, N.C.J. | | Deposit date: | 2020-06-15 | | Release date: | 2020-09-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Characterization of the Pilotin-Secretin Complex from the Salmonella enterica Type III Secretion System Using Hybrid Structural Methods.
Structure, 29, 2021
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6V9S
 | | Structure-based development of subtype-selective orexin 1 receptor antagonists | | Descriptor: | CHOLESTEROL, OLEIC ACID, Orexin receptor type 1,GlgA glycogen synthase chimera, ... | | Authors: | Hellmann, J, Drabek, M, Yin, J, Huebner, H, Kraus, F, Proell, T, Weikert, D, Kolb, P, Rosenbaum, D.M, Gmeiner, P. | | Deposit date: | 2019-12-16 | | Release date: | 2020-07-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structure-based development of a subtype-selective orexin 1 receptor antagonist.
Proc.Natl.Acad.Sci.USA, 117, 2020
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5FM3
 | | Crystal structure of hyper-phosphorylated RET kinase domain with (proximal) juxtamembrane segment | | Descriptor: | 1-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | | Authors: | Plaza-Menacho, I, Barnouin, K, Barry, R, Borg, A, Orme, M, Mouilleron, S, Martinez-Torres, R.J, Meier, P, McDonald, N.Q. | | Deposit date: | 2015-10-30 | | Release date: | 2016-12-28 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | RET Functions as a Dual-Specificity Kinase that Requires Allosteric Inputs from Juxtamembrane Elements.
Cell Rep, 17, 2016
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5YBB
 | | Structural basis underlying complex assembly andconformational transition of the type I R-M system | | Descriptor: | DNA, Restriction endonuclease S subunits, S-ADENOSYLMETHIONINE, ... | | Authors: | Liu, Y.P, Tang, Q, Zhang, J.Z, Tian, L.F, Gao, P, Yan, X.X. | | Deposit date: | 2017-09-04 | | Release date: | 2017-11-29 | | Last modified: | 2018-02-07 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis underlying complex assembly and conformational transition of the type I R-M system.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1AUD
 | | U1A-UTRRNA, NMR, 31 STRUCTURES | | Descriptor: | RNA 3UTR, U1A 102 | | Authors: | Allain, F.H.-T, Gubser, C.C, Howe, P.W.A, Nagai, K, Neuhaus, D, Varani, G. | | Deposit date: | 1997-08-22 | | Release date: | 1998-02-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural basis of the RNA-binding specificity of human U1A protein.
EMBO J., 16, 1997
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5AJV
 | | Human PFKFB3 in complex with an indole inhibitor 1 | | Descriptor: | (2S)-2-amino-N-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide, 2,6-di-O-phosphono-beta-D-fructofuranose, HUMAN PFKFB3, ... | | Authors: | Boyd, S, Brookfield, J.L, Critchlow, S.E, Cumming, I.A, Curtis, N.J, Debreczeni, J.E, Degorce, S.L, Donald, C, Evans, N.J, Groombridge, S, Hopcroft, P, Jones, N.P, Kettle, J.G, Lamont, S, Lewis, H.J, MacFaull, P, McLoughlin, S.B, Rigoreau, L.J.M, Smith, J.M, St-Gallay, S, Stock, J.K, Wheatley, E.R, Winter, J, Wingfield, J. | | Deposit date: | 2015-02-27 | | Release date: | 2015-04-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase Pfkfb3.
J.Med.Chem., 58, 2015
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8FAZ
 | | Cryo-EM structure of the human BCDX2 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA repair protein RAD51 homolog 2, DNA repair protein RAD51 homolog 3, ... | | Authors: | Jia, L, Wasmuth, E.V, Ruben, E.A, Sung, P, Rawal, Y, Greene, E.C, Meir, A, Olsen, S.K. | | Deposit date: | 2022-11-29 | | Release date: | 2023-06-21 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Structural insights into BCDX2 complex function in homologous recombination.
Nature, 619, 2023
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8G0F
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6XIO
 | | ADP-dependent kinase complex with fructose-6-phosphate and ADPbetaS | | Descriptor: | 5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE, 6-O-phosphono-beta-D-fructofuranose, ADP-dependent phosphofructokinase, ... | | Authors: | Munoz, S, Gonzalez-Ordenes, F, Fuentes, N, Maturana, P, Herrera-Morande, A, Villalobos, P, Castro-Fernandez, V. | | Deposit date: | 2020-06-20 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | Structure of an ancestral ADP-dependent kinase with fructose-6P reveals key residues for binding, catalysis, and ligand-induced conformational changes.
J.Biol.Chem., 296, 2020
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1B1X
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6MG8
 | | Structural basis for cholesterol transport-like activity of the Hedgehog receptor Patched | | Descriptor: | CHOLESTEROL, Protein patched homolog 1 | | Authors: | Zhang, Y, Bulkley, D, Xin, Y, Roberts, K.J, Asarnow, D.E, Sharma, A, Myers, B.R, Cho, W, Cheng, Y, Beachy, P.A. | | Deposit date: | 2018-09-13 | | Release date: | 2018-11-28 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural Basis for Cholesterol Transport-like Activity of the Hedgehog Receptor Patched.
Cell, 175, 2018
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7TFN
 | | Cryo-EM structure of CD4bs antibody Ab1303 in complex with HIV-1 Env trimer BG505 SOSIP.664 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-HIV-1 CD4bs antibody Fab Ab1303 - Heavy chain, ... | | Authors: | Yang, Z, Bjorkman, P.J. | | Deposit date: | 2022-01-06 | | Release date: | 2022-01-19 | | Last modified: | 2022-02-23 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Neutralizing antibodies induced in immunized macaques recognize the CD4-binding site on an occluded-open HIV-1 envelope trimer.
Nat Commun, 13, 2022
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8P5I
 | | Kinase domain of mutant human ULK1 in complex with compound XMD-17-51 | | Descriptor: | 5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | | Deposit date: | 2023-05-24 | | Release date: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.829 Å) | | Cite: | Crystal structures of ULK1 in complex with KCGS compounds
To Be Published
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6UW7
 | | The crystal structure of FbiA from Mycobacterium smegmatis, Dehydro-F420-0 bound form | | Descriptor: | 2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[2,4,8-tris(oxidanylidene)-1,9-dihydropyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxyprop-2-enoic acid, CALCIUM ION, GLYCEROL, ... | | Authors: | Grinter, R, Gillett, D, Cordero, P.R.F, Izore, T, Greening, C. | | Deposit date: | 2019-11-04 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.342 Å) | | Cite: | Cellular and Structural Basis of Synthesis of the Unique Intermediate Dehydro-F420-0 in Mycobacteria.
mSystems, 5, 2020
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6Y77
 | | Pseudomonas stutzeri nitrous oxide reductase mutant, H326A | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DINUCLEAR COPPER ION, FORMIC ACID, ... | | Authors: | Zhang, L, Kroneck, P.M.H, Einsle, O. | | Deposit date: | 2020-02-28 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | A [3Cu:2S] cluster provides insight into the assembly and function of the Cu Z site of nitrous oxide reductase.
Chem Sci, 12, 2021
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8FD1
 | | Crystal structure of photoactivated rhodopsin in complex with a nanobody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody Nb2, ... | | Authors: | Salom, D, Palczewski, K, Kiser, P.D. | | Deposit date: | 2022-12-01 | | Release date: | 2023-08-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4.25 Å) | | Cite: | Structural basis for the allosteric modulation of rhodopsin by nanobody binding to its extracellular domain.
Nat Commun, 14, 2023
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8A1S
 | | Structure of murine perforin-2 (Mpeg1) pore in twisted form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein | | Authors: | Yu, X, Ni, T, Zhang, P, Gilbert, R. | | Deposit date: | 2022-06-02 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structures of perforin-2 in isolation and assembled on a membrane suggest a mechanism for pore formation.
Embo J., 41, 2022
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