4U0M
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6TNB
| X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41 | Descriptor: | (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK | Authors: | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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6NIY
| A high-resolution cryo-electron microscopy structure of a calcitonin receptor-heterotrimeric Gs protein complex | Descriptor: | Calcitonin, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | dal Maso, E, Glukhova, A, Zhu, Y, Garcia-Nafria, J, Tate, C.G, Atanasio, S, Reynolds, C.A, Ramirez-Aportela, E, Carazo, J.-M, Hick, C.A, Furness, S.G.B, Hay, D.L, Liang, Y.-L, Miller, L.J, Christopoulos, A, Wang, M.-W, Wootten, D, Sexton, P.M. | Deposit date: | 2019-01-02 | Release date: | 2019-01-23 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | The Molecular Control of Calcitonin Receptor Signaling. Acs Pharmacol Transl Sci, 2, 2019
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6TA0
| Human NAMPT in complex with nicotinic acid and phosphoribosyl pyrophosphate | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, GLYCEROL, NICOTINIC ACID, ... | Authors: | Houry, D, Raasakka, A, Kursula, P, Ziegler, M. | Deposit date: | 2019-10-29 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Identification of structural determinants of NAMPT activity and substrate selectivity To Be Published
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6NJO
| Structure of the assembled ATPase EscN from the enteropathogenic E. coli (EPEC) type III secretion system | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | Authors: | Majewski, D.D, Worrall, L.J, Hong, C, Atkinson, C.E, Vuckovic, M, Watanabe, N, Yu, Z, Strynadka, N.C.J. | Deposit date: | 2019-01-03 | Release date: | 2019-02-20 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | Cryo-EM structure of the homohexameric T3SS ATPase-central stalk complex reveals rotary ATPase-like asymmetry. Nat Commun, 10, 2019
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6Y1A
| Amyloid fibril structure of islet amyloid polypeptide | Descriptor: | AMINO GROUP, Islet amyloid polypeptide | Authors: | Roeder, C, Kupreichyk, T, Gremer, L, Schaefer, L.U, Pothula, K.R, Ravelli, R.B.G, Willbold, D, Hoyer, W, Schroder, G.F. | Deposit date: | 2020-02-11 | Release date: | 2020-03-04 | Last modified: | 2020-07-22 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structure of islet amyloid polypeptide fibrils reveals similarities with amyloid-beta fibrils. Nat.Struct.Mol.Biol., 27, 2020
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6TP2
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7TDY
| The ubiquitin-associated domain of human thirty-eight negative kinase 1, flexibly fused to the 1TEL crystallization chaperone via a 2-glycine linker and crystallized at low protein concentration | Descriptor: | FORMIC ACID, Transcription factor ETV6,Non-receptor tyrosine-protein kinase TNK1 | Authors: | Nawarathnage, S, Bunn, D.R, Stewart, C, Doukev, T, Moody, J.D. | Deposit date: | 2022-01-03 | Release date: | 2023-01-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain. Structure, 31, 2023
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3NK5
| Crystal structure of AqpZ mutant F43W | Descriptor: | Aquaporin Z, octyl beta-D-glucopyranoside | Authors: | Savage, D.F, O'Connell, J.D, Stroud, R.M, Finer-Moore, J.S. | Deposit date: | 2010-06-18 | Release date: | 2010-08-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural context shapes the aquaporin selectivity filter. Proc.Natl.Acad.Sci.USA, 107, 2010
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8D05
| Hallucinated C2 protein assembly HALC2_065 | Descriptor: | HALC2_065 | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Hallucinating symmetric protein assemblies. Science, 378, 2022
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8WVG
| Transporter bound with inhibitor | Descriptor: | (3~{S},11~{b}~{R})-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11~{b}-hexahydrobenzo[a]quinolizin-2-one, FabH, FabL, ... | Authors: | Im, D, Iwata, S. | Deposit date: | 2023-10-23 | Release date: | 2024-09-25 | Last modified: | 2024-10-02 | Method: | ELECTRON MICROSCOPY (3.18 Å) | Cite: | Neurotransmitter recognition by human vesicular monoamine transporter 2. Nat Commun, 15, 2024
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7TCY
| The ubiquitin-associated domain of human thirty-eight negative kinase I | Descriptor: | CHLORIDE ION, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Nawarathnage, S, Bunn, R.D, Stewart, C, Doukov, T, Moody, J.D. | Deposit date: | 2021-12-29 | Release date: | 2023-01-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Fusion crystallization reveals the behavior of both the 1TEL crystallization chaperone and the TNK1 UBA domain. Structure, 31, 2023
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3NCV
| NgoL | Descriptor: | DNA mismatch repair protein mutL | Authors: | Namadurai, S, Jain, D, Nair, D.T. | Deposit date: | 2010-06-05 | Release date: | 2010-12-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The C-terminal domain of the MutL homolog from Neisseria gonorrhoeae forms an inverted homodimer Plos One, 5, 2010
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8Q34
| Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide | Authors: | MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mapping protein binding sites by photoreactive fragment pharmacophores. Commun Chem, 7, 2024
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7JWU
| Crystal structure of human ALDH1A1 bound to compound (R)-28 | Descriptor: | 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Hurley, T.D, Buchman, C. | Deposit date: | 2020-08-26 | Release date: | 2020-12-30 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy. Eur.J.Med.Chem., 211, 2020
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7TAY
| Bos Taurus Mitochondrial BC1 in complex with Pyramoxadone | Descriptor: | (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate, (5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione, 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, ... | Authors: | Xia, D, Zhou, F, Esser, L. | Deposit date: | 2021-12-21 | Release date: | 2023-01-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Conformation Switch of Rieske ISP subunit is revealed by the Crystal Structure of Bacterial Cytochrome bc1 in Complex with Azoxystrobin to be published
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3NF9
| Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design | Descriptor: | 1,2-ETHANEDIOL, 5-[(6-chloro-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | Authors: | Peat, T.S, Newman, J, Deadman, J.J, Rhodes, D. | Deposit date: | 2010-06-10 | Release date: | 2011-04-27 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for a new mechanism of inhibition of HIV-1 integrase identified by fragment screening and structure-based design ANTIVIR.CHEM.CHEMOTHER., 21, 2011
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1A0C
| XYLOSE ISOMERASE FROM THERMOANAEROBACTERIUM THERMOSULFURIGENES | Descriptor: | COBALT (II) ION, XYLOSE ISOMERASE | Authors: | Gallay, O, Chopra, R, Conti, E, Brick, P, Blow, D. | Deposit date: | 1997-11-28 | Release date: | 1998-06-03 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structures of Class II Xylose Isomerases from Two Thermophiles and a Hyperthermophile To be Published
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7ZZ8
| Cryo-EM structure of Lactococcus lactis pyruvate carboxylase with acetyl-CoA and cyclic di-AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, ACETYL COENZYME *A, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Lopez-Alonso, J.P, Lazaro, M, Gil, D, Choi, P.H, Tong, L, Valle, M. | Deposit date: | 2022-05-25 | Release date: | 2022-10-12 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | CryoEM structural exploration of catalytically active enzyme pyruvate carboxylase. Nat Commun, 13, 2022
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7JZ4
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5A3J
| Crystal structure of the chloroplastic gamma-ketol reductase from Arabidopsis thaliana bound to 13-Oxo-9(Z),11(E),15(Z)- octadecatrienoic acid. | Descriptor: | (13-oxo-9(Z),11(E),15(Z)-octadecatrienoic acid), PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC | Authors: | Mas-y-mas, S, Curien, G, Giustini, C, Rolland, N, Ferrer, J.L, Cobessi, D. | Deposit date: | 2015-06-01 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.776 Å) | Cite: | Crystal Structure of the Chloroplastic Oxoene Reductase ceQORH from Arabidopsis thaliana. Front Plant Sci, 8, 2017
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7JR8
| H-PDGS complexed with a 2-phenylimidazo[1,2-a]pyridine-6-carboxamide inhibitors | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLUTATHIONE, ... | Authors: | Nolte, R.T, Somers, D.O, Gampe, R.T. | Deposit date: | 2020-08-11 | Release date: | 2021-05-26 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors. Bioorg.Med.Chem.Lett., 47, 2021
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5AGV
| The sliding clamp of Mycobacterium tuberculosis in complex with a natural product. | Descriptor: | (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYCLOHEXYL GRISELIMYCIN, ... | Authors: | Lukat, P, Kling, A, Heinz, D.W, Mueller, R. | Deposit date: | 2015-02-03 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins. Science, 348, 2015
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8D03
| Hallucinated C2 protein assembly HALC2_068 | Descriptor: | HALC2_068 | Authors: | Ragotte, R.J, Bera, A.K, Wicky, B.I.M, Milles, L.F, Baker, D. | Deposit date: | 2022-05-25 | Release date: | 2022-09-28 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Hallucinating symmetric protein assemblies. Science, 378, 2022
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3NJ3
| Crystal structure of xylanase 10B from Thermotoga petrophila RKU-1 in complex with xylobiose | Descriptor: | ACETATE ION, Endo-1,4-beta-xylanase, SULFATE ION, ... | Authors: | Santos, C.R, Meza, A.N, Trindade, D.M, Ruller, R, Squina, F.M, Prade, R.A, Murakami, M.T. | Deposit date: | 2010-06-16 | Release date: | 2011-05-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Thermal-induced conformational changes in the product release area drive the enzymatic activity of xylanases 10B: Crystal structure, conformational stability and functional characterization of the xylanase 10B from Thermotoga petrophila RKU-1. Biochem.Biophys.Res.Commun., 403, 2010
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