5K50
 
 | | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei bound to NAD+ and L-allo-threonine refined to 2.23 angstroms | | Descriptor: | ACETATE ION, ALLO-THREONINE, GLYCEROL, ... | | Authors: | Adjogatse, E.A, Erskine, P.T, Cooper, J.B. | | Deposit date: | 2016-05-22 | | Release date: | 2017-11-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
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7TIB
 | | Structure of the yeast clamp loader (Replication Factor C RFC) bound to the open sliding clamp (Proliferating Cell Nuclear Antigen PCNA) and primer-template DNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*AP*GP*AP*CP*AP*CP*TP*AP*CP*GP*AP*GP*TP*AP*CP*AP*TP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*AP*TP*GP*TP*AP*CP*TP*CP*GP*TP*AP*GP*TP*GP*TP*CP*T)-3'), ... | | Authors: | Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A. | | Deposit date: | 2022-01-13 | | Release date: | 2022-02-16 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader.
Elife, 11, 2022
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7TID
 | | Structure of the yeast clamp loader (Replication Factor C RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen PCNA) and primer-template DNA | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*AP*GP*AP*CP*AP*CP*TP*AP*CP*GP*AP*GP*TP*AP*CP*AP*TP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*AP*TP*GP*TP*AP*CP*TP*CP*GP*TP*AP*GP*TP*GP*TP*CP*T)-3'), ... | | Authors: | Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A. | | Deposit date: | 2022-01-13 | | Release date: | 2022-02-16 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader.
Elife, 11, 2022
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6GI6
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with a Quinazolinone based ALK2 inhibitor with a 5-methyl core. | | Descriptor: | 1,2-ETHANEDIOL, 5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one, Activin receptor type-1, ... | | Authors: | Williams, E, Hudson, L, Bezerra, G.A, Sorrell, F, Mahajan, P, Kupinska, K, Hoelder, S, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2018-05-10 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Novel Quinazolinone Inhibitors of ALK2 Flip between Alternate Binding Modes: Structure-Activity Relationship, Structural Characterization, Kinase Profiling, and Cellular Proof of Concept.
J. Med. Chem., 61, 2018
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4YH2
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7THV
 | | Structure of the yeast clamp loader (Replication Factor C RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen PCNA) in an autoinhibited conformation | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A. | | Deposit date: | 2022-01-12 | | Release date: | 2022-02-16 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader.
Elife, 11, 2022
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5K4Y
 | | Three-dimensional structure of L-threonine 3-dehydrogenase from Trypanosoma brucei refined to 1.77 angstroms | | Descriptor: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | | Authors: | Adjogatse, E.A, Erskine, P.T, Cooper, J.B. | | Deposit date: | 2016-05-22 | | Release date: | 2018-01-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structure and function of L-threonine-3-dehydrogenase from the parasitic protozoan Trypanosoma brucei revealed by X-ray crystallography and geometric simulations.
Acta Crystallogr D Struct Biol, 74, 2018
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7THJ
 | | Structure of the yeast clamp loader (Replication Factor C RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen PCNA) in an autoinhibited conformation | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Gaubitz, C, Liu, X, Pajak, J, Stone, N, Hayes, J, Demo, G, Kelch, B.A. | | Deposit date: | 2022-01-11 | | Release date: | 2022-02-16 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Cryo-EM structures reveal high-resolution mechanism of a DNA polymerase sliding clamp loader.
Elife, 11, 2022
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6GUX
 | | Dark-adapted structure of Archaerhodopsin-3 at 100K | | Descriptor: | Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Moraes, I, Judge, P.J, Bada Juarez, J.F, Vinals, J, Axford, D, Watts, A. | | Deposit date: | 2018-06-19 | | Release date: | 2019-10-09 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structures of the archaerhodopsin-3 transporter reveal that disordering of internal water networks underpins receptor sensitization.
Nat Commun, 12, 2021
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8LPR
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6NKQ
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6W5H
 | | 1.85 A resolution structure of Norovirus 3CL protease in complex with inhibitor 5d | | Descriptor: | 2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate, 3C-LIKE PROTEASE | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | | Deposit date: | 2020-03-13 | | Release date: | 2020-09-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 63, 2020
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6VJ7
 | | Crystal structure of red kidney bean purple acid phosphatase in complex with adenosine 5'-(beta,gamma imido)triphosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Feder, D, Schenk, G, Guddat, L.W, McGeary, R.P, Mitic, N, Furtado, A, Schulz, B.L, Henry, R.J, Schmidt, S. | | Deposit date: | 2020-01-15 | | Release date: | 2020-04-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural elements that modulate the substrate specificity of plant purple acid phosphatases: Avenues for improved phosphorus acquisition in crops.
Plant Sci., 294, 2020
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6GL3
 | | Crystal structure of human Phosphatidylinositol 4-kinase III beta (PI4KIIIbeta) in complex with ligand 44 | | Descriptor: | (3~{S})-4-(6-azanyl-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl)-~{N}-(4-methoxy-2-methyl-phenyl)-3-methyl-piperazine-1-carboxamide, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta | | Authors: | Lammens, A, Augustin, M, Steinbacher, S, Reuberson, J. | | Deposit date: | 2018-05-22 | | Release date: | 2018-08-15 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Discovery of a Potent, Orally Bioavailable PI4KIII beta Inhibitor (UCB9608) Able To Significantly Prolong Allogeneic Organ Engraftment in Vivo.
J. Med. Chem., 61, 2018
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6SX5
 | | Full length Mutant Open-form Sodium Channel NavMs | | Descriptor: | DODECAETHYLENE GLYCOL, HEGA-10, Ion transport protein, ... | | Authors: | Sula, A, Hollingworth, D, Wallace, B.A. | | Deposit date: | 2019-09-25 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A tamoxifen receptor within a voltage-gated sodium channel.
Mol.Cell, 81, 2021
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6SXC
 | | Crystal structure of the Voltage-Gated Sodium Channel NavMs (F208L) in complex with 4-hydroxytamoxifen (2.5 Angstrom resolution) | | Descriptor: | 4-HYDROXYTAMOXIFEN, DODECAETHYLENE GLYCOL, HEGA-10, ... | | Authors: | Sula, A, Hollingworth, D, Wallace, B.A. | | Deposit date: | 2019-09-25 | | Release date: | 2021-02-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A tamoxifen receptor within a voltage-gated sodium channel.
Mol.Cell, 81, 2021
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5KCU
 | | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with an N-ethyl, alpha-naphthyl OBHS-N derivative | | Descriptor: | (1S,2R,4S)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(naphthalen-2-yl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide, Estrogen receptor, NCOA2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Dharmarajan, V, Goswami, D, Kastrati, I, Novick, S, Nowak, J, Zhou, H.B, Boonmuen, N, Zhao, Y, Min, J, Frasor, J, Katzenellenbogen, B.S, Griffin, P.R, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2016-06-07 | | Release date: | 2016-11-16 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Full antagonism of the estrogen receptor without a prototypical ligand side chain.
Nat. Chem. Biol., 13, 2017
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7TP3
 | | Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody K288.2 | | Descriptor: | CACODYLATE ION, K288.2 heavy chain, K288.2 light chain, ... | | Authors: | Yuan, M, Zhu, X, Wilson, I.A. | | Deposit date: | 2022-01-24 | | Release date: | 2022-02-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Broadly neutralizing antibodies to SARS-related viruses can be readily induced in rhesus macaques.
Sci Transl Med, 14, 2022
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6PVL
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6SYG
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6GN4
 | | tc-DNA/tc-DNA duplex | | Descriptor: | Tc-DNA (5'-D(*(TCJ)P*(TTK)P*(TCJ)P*(TCS)P*(TCS)P*(TCJ)P*(TTK)P*(TTK)P*(TCY)P*(TCJ))-3'), Tc-DNA (5'-D(*(TCS)P*(TTK)P*(TCY)P*(TCY)P*(TCS)P*(TCJ)P*(TCJ)P*(TCS)P*(TCY)P*(TCS))-3') | | Authors: | Istrate, A, Johannsen, S, Istrate, A, Sigel, R.K.O, Leumann, C. | | Deposit date: | 2018-05-29 | | Release date: | 2018-06-06 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure of tricyclo-DNA containing duplexes: insight into enhanced thermal stability and nuclease resistance.
Nucleic Acids Res., 47, 2019
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8CXO
 | | Cryo-EM structure of the unliganded mSMO-PGS2 in a lipidic environment | | Descriptor: | CHOLESTEROL, Smoothened homolog, GlgA glycogen synthase chimera | | Authors: | Zhang, K, Wu, H, Hoppe, N, Manglik, A, Cheng, Y. | | Deposit date: | 2022-05-22 | | Release date: | 2022-08-03 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Fusion protein strategies for cryo-EM study of G protein-coupled receptors.
Nat Commun, 13, 2022
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8TCS
 | | Structure of trehalose bound Alistipes sp. 3-Keto-beta-glucopyranoside-1,2-Lyase AL1 | | Descriptor: | ACETATE ION, COBALT (II) ION, Xylose isomerase-like TIM barrel domain-containing protein, ... | | Authors: | Lazarski, A.C, Worrall, L.J, Strynadka, N.C.J. | | Deposit date: | 2023-07-02 | | Release date: | 2024-06-19 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | An alternative broad-specificity pathway for glycan breakdown in bacteria.
Nature, 631, 2024
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5ILC
 | | The X-ray structure of the adduct formed in the reaction between hen egg white lysozyme a compound 2, a platin(II) compound containing a O, S bidentate ligand | | Descriptor: | ACETATE ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Merlino, A, Ferraro, G. | | Deposit date: | 2016-03-04 | | Release date: | 2016-12-07 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Platinum(ii) O,S complexes as potential metallodrugs against Cisplatin resistance.
Dalton Trans, 45, 2016
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6GNV
 | | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a isopropyl methyl indole aryl sulphonamide ligand | | Descriptor: | GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ... | | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | | Deposit date: | 2018-05-31 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
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