8W53
| Crystal structure of LbUGT in complex with UDP | Descriptor: | GLYCEROL, Glycosyltransferase, URIDINE-5'-DIPHOSPHATE | Authors: | Hu, D, Wang, G.Q. | Deposit date: | 2023-08-25 | Release date: | 2024-05-22 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.42816162 Å) | Cite: | Functional and structural dissection of glycosyltransferases underlying the glycodiversity of wolfberry-derived bioactive ingredients lycibarbarspermidines. Nat Commun, 15, 2024
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4ZE3
| Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140H mutant complexed with fluconazole | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R, Monk, B.C, Tyndall, J.D.A. | Deposit date: | 2015-04-20 | Release date: | 2016-03-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
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6BXA
| Crystal structure of N-terminal fragment of Zebrafish Toll-Like Receptor 5 (TLR5) with Lamprey Variable Lymphocyte Receptor 2 (VLR2) bound | 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: | Gunn, R.J, Wilson, I.A, Cooper, M.D, Herrin, B.R. | Deposit date: | 2017-12-18 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.298 Å) | Cite: | VLR Recognition of TLR5 Expands the Molecular Characterization of Protein Antigen Binding by Non-Ig-based Antibodies. J. Mol. Biol., 430, 2018
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6QUX
| Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 15 | Descriptor: | (6~{a}~{R},11~{b}~{S})-6~{a}-(1,4-dimethylpiperidin-4-yl)-7,11~{b}-dihydro-6~{H}-indolo[2,3-c]isoquinolin-5-one, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Fischer, G, Kessler, D, Muellauer, B, Wolkerstorfer, B. | Deposit date: | 2019-02-28 | Release date: | 2019-07-31 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | KRAS Binders Hidden in Nature. Chemistry, 25, 2019
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8AWV
| Millisecond cryo-trapping by the spitrobot crystal plunger, Xylose Isomerase with Glucose at 500ms | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, Xylose isomerase, ... | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | Deposit date: | 2022-08-30 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography. Nat Commun, 14, 2023
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8AWX
| Millisecond cryo-trapping by the spitrobot crystal plunger, Xylose Isomerase with Glucose at 1s | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, Xylose isomerase, ... | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | Deposit date: | 2022-08-30 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography. Nat Commun, 14, 2023
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7UYU
| Crystal structure of TYK2 kinase domain in complex with compound 30 | Descriptor: | 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one, Non-receptor tyrosine-protein kinase TYK2, SULFATE ION | Authors: | Toms, A.V, Leit, S, Greenwood, J.R, Mondal, S, Carriero, S, Dahlgren, M, Harriman, G.C, Kennedy-Smith, J.J, Kapeller, R, Lawson, J.P, Romero, D.L, Shelley, M, Wester, R.T, Westlin, W, Mc Elwee, J.J, Miao, W, Edmondson, S.D, Massee, C.E. | Deposit date: | 2022-05-07 | Release date: | 2022-08-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Potent and selective TYK2-JH1 inhibitors highly efficacious in rodent model of psoriasis. Bioorg.Med.Chem.Lett., 73, 2022
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8AWU
| Millisecond cryo-trapping by the spitrobot crystal plunger, Xylose Isomerase with Glucose at 250ms | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, Xylose isomerase, ... | Authors: | Mehrabi, P, Sung, S, von Stetten, D, Prester, A, Hatton, C.E, Kleine-Doepke, S, Berkes, A, Gore, G, Leimkohl, J.P, Schikora, H, Kollewe, M, Rohde, H, Wilmanns, M, Tellkamp, F, Schulz, E.C. | Deposit date: | 2022-08-30 | Release date: | 2023-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Millisecond cryo-trapping by the spitrobot crystal plunger simplifies time-resolved crystallography. Nat Commun, 14, 2023
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6W84
| K2P2.1 (TREK-1), 200 mM K+ | Descriptor: | CADMIUM ION, DODECANE, N-OCTANE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2020-03-20 | Release date: | 2021-01-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | K 2P channel C-type gating involves asymmetric selectivity filter order-disorder transitions. Sci Adv, 6, 2020
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6GWJ
| Human OSGEP / LAGE3 / GON7 complex | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, EKC/KEOPS complex subunit GON7, ... | Authors: | Missoury, S, Liger, D, Durand, D, Collinet, B, Tilbeurgh, V.H. | Deposit date: | 2018-06-25 | Release date: | 2019-07-03 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Defects in t 6 A tRNA modification due to GON7 and YRDC mutations lead to Galloway-Mowat syndrome. Nat Commun, 10, 2019
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8QEX
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5NP1
| Open protomer of human ATM (Ataxia telangiectasia mutated) | Descriptor: | Serine-protein kinase ATM | Authors: | Baretic, D, Pollard, H.K, Fisher, D.I, Johnson, C.M, Santhanam, B, Truman, C.M, Kouba, T, Fersht, A.R, Phillips, C, Williams, R.L. | Deposit date: | 2017-04-13 | Release date: | 2017-05-17 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (5.7 Å) | Cite: | Structures of closed and open conformations of dimeric human ATM. Sci Adv, 3, 2017
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6W4T
| APE1 Y269A phosphorothioate substrate complex with abasic DNA | Descriptor: | DNA (5'-D(*GP*GP*AP*TP*CP*CP*GP*TP*CP*GP*GP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*(48Z)P*CP*GP*AP*CP*GP*GP*AP*TP*CP*C)-3'), DNA-(apurinic or apyrimidinic site) lyase | Authors: | Freudenthal, B.D, Hoitsma, N.M. | Deposit date: | 2020-03-11 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.77 Å) | Cite: | AP-endonuclease 1 sculpts DNA through an anchoring tyrosine residue on the DNA intercalating loop. Nucleic Acids Res., 48, 2020
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4X55
| Structure of the class D Beta-Lactamase OXA-225 K82D in Acyl-Enzyme Complex with Ceftazidime | Descriptor: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase OXA-225 | Authors: | Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A. | Deposit date: | 2014-12-04 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.941 Å) | Cite: | Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii. Biochemistry, 54, 2015
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7CR2
| human KCNQ2 in complex with retigabine | Descriptor: | Potassium voltage-gated channel subfamily KQT member 2, ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate | Authors: | Li, X, Lv, D, Wang, J, Ye, S, Guo, J. | Deposit date: | 2020-08-12 | Release date: | 2020-09-16 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Molecular basis for ligand activation of the human KCNQ2 channel. Cell Res., 31, 2021
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6RO6
| Crystal structure of the C-terminal dimerization domain of the essential repressor DdrO from radiation-resistant Deinococcus bacteria (Deinococcus deserti) | Descriptor: | HTH-type transcriptional regulator DdrOC, SULFATE ION | Authors: | Pignol, D, Arnoux, P, Siponen, M.I, Brandelet, G, De Groot, A, Blanchard, L. | Deposit date: | 2019-05-10 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus. Nucleic Acids Res., 47, 2019
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6VLY
| Crystal structure of FabI-NADH complex from Alistipes finegoldii | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Radka, C.D, Seetharaman, J, Rock, C.O. | Deposit date: | 2020-01-27 | Release date: | 2020-04-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | The genome of a Bacteroidetes inhabitant of the human gut encodes a structurally distinct enoyl-acyl carrier protein reductase (FabI). J.Biol.Chem., 295, 2020
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5NP8
| PGK1 in complex with CRT0063465 (3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid) | Descriptor: | 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, 3-[2-(4-bromophenyl)-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid, ... | Authors: | Turnbull, A.P, Bilsland, A.E, Liu, Y, Sumpton, D, Stevenson, K, Cairney, C.J, Roffey, J, Jenkinson, D, Keith, W.N. | Deposit date: | 2017-04-13 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A Novel Pyrazolopyrimidine Ligand of Human PGK1 and Stress Sensor DJ1 Modulates the Shelterin Complex and Telomere Length Regulation. Neoplasia, 21, 2019
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6O7X
| Saccharomyces cerevisiae V-ATPase Stv1-V1VO State 3 | Descriptor: | Putative protein YPR170W-B, V-type proton ATPase subunit B, V-type proton ATPase subunit C, ... | Authors: | Vasanthakumar, T, Bueler, S.A, Wu, D, Beilsten-Edmands, V, Robinson, C.V, Rubinstein, J.L. | Deposit date: | 2019-03-08 | Release date: | 2019-04-03 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (8.7 Å) | Cite: | Structural comparison of the vacuolar and Golgi V-ATPases fromSaccharomyces cerevisiae. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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8QRQ
| ASCT2 protomer in lipid nanodiscs with bound glutamine and Na+ ions in the outward-facing state (OFS.2) | Descriptor: | GLUTAMINE, Neutral amino acid transporter B(0), SODIUM ION | Authors: | Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. | Deposit date: | 2023-10-09 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2. Nat Commun, 15, 2024
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6OA3
| Structure of human PARG complexed with JA2131 | Descriptor: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | Deposit date: | 2019-03-15 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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5UTF
| Crystal Structure of a Stabilized DS-SOSIP.6mut BG505 gp140 HIV-1 Env Trimer, Containing Mutations I201C-P433C (DS), L154M, Y177W, N300M, N302M, T320L, I420M in Complex with Human Antibodies PGT122 and 35O22 at 4.3 A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35022 Heavy chain, ... | Authors: | Pancera, M, Chuang, G.-Y, Xu, K, Kwong, P.D. | Deposit date: | 2017-02-14 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.503 Å) | Cite: | Structure-Based Design of a Soluble Prefusion-Closed HIV-1 Env Trimer with Reduced CD4 Affinity and Improved Immunogenicity. J. Virol., 91, 2017
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8QRR
| ASCT2 protomer in lipid nanodiscs with bound glutamine and Na+ ions in the outward-facing state (OFS.3) | Descriptor: | GLUTAMINE, Neutral amino acid transporter B(0), SODIUM ION | Authors: | Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. | Deposit date: | 2023-10-09 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.78 Å) | Cite: | Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2. Nat Commun, 15, 2024
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8QRP
| ASCT2 protomer in lipid nanodiscs with bound glutamine and Na+ ions in the outward-facing state (OFS.1) | Descriptor: | GLUTAMINE, Neutral amino acid transporter B(0), SODIUM ION | Authors: | Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. | Deposit date: | 2023-10-09 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2. Nat Commun, 15, 2024
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8QRO
| ASCT2 trimer in lipid nanodiscs with bound glutamine and Na+ ions in the outward-facing state (OFS) | Descriptor: | GLUTAMINE, Neutral amino acid transporter B(0), SODIUM ION | Authors: | Borowska, A, Rheinberger, J, Paulino, C, Slotboom, D.J. | Deposit date: | 2023-10-09 | Release date: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structural basis of the obligatory exchange mode of human neutral amino acid transporter ASCT2. Nat Commun, 15, 2024
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