3HO8
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7RLF
| Cryo-EM structure of human p97-E470D mutant bound to ATPgS. | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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2ZNQ
| Human PPAR delta ligand binding domain in complex with a synthetic agonist TIPP401 | Descriptor: | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid, Peroxisome proliferator-activated receptor delta, heptyl beta-D-glucopyranoside | Authors: | Oyama, T, Hirakawa, Y, Nagasawa, N, Miyachi, H, Morikawa, K. | Deposit date: | 2008-04-30 | Release date: | 2009-05-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures Acta Crystallogr.,Sect.D, 65, 2009
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7RLD
| Cryo-EM structure of human p97-E470D mutant bound to ADP. | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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8R42
| Structure of CHI3L1 in complex with inhibititor 2 | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[(2~{R})-2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]piperidin-1-yl]pyridine, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Nowak, E, Napiorkowska-Gromadzka, A, Nowotny, M. | Deposit date: | 2023-11-10 | Release date: | 2024-03-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structure-Based Discovery of High-Affinity Small Molecule Ligands and Development of Tool Probes to Study the Role of Chitinase-3-Like Protein 1. J.Med.Chem., 67, 2024
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7LA5
| Structure of human GGT1 in complex with Lnt1-172 compound. | Descriptor: | (2R)-4-borono-2-{[(1H-imidazol-4-yl)methyl]amino}butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Terzyan, S.S, Hanigan, M, Nguen, L. | Deposit date: | 2021-01-05 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | Structure of human GGT1 in complex with Lnt1-172 compound. To Be Published
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7RLI
| Cryo-EM structure of human p97 bound to CB-5083 and ADP. | Descriptor: | 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide, ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Caffrey, B, Zhu, X, Berezuk, A, Tuttle, K, Chittori, S, Subramaniam, S. | Deposit date: | 2021-07-23 | Release date: | 2021-09-22 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | AAA+ ATPase p97/VCP mutants and inhibitor binding disrupt inter-domain coupling and subsequent allosteric activation. J.Biol.Chem., 297, 2021
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5MFP
| Human Sirt6 in complex with activator UBCS58 | Descriptor: | 1,2-ETHANEDIOL, 4-pyridin-3-ylpyrrolo[1,2-a]quinoxaline, NAD-dependent protein deacetylase sirtuin-6, ... | Authors: | Steegborn, C, You, W, Kambach, C. | Deposit date: | 2016-11-18 | Release date: | 2016-12-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structural Basis of Sirtuin 6 Activation by Synthetic Small Molecules. Angew. Chem. Int. Ed. Engl., 56, 2017
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7LBK
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7BPL
| Solution NMR structure of NF1; de novo designed protein with a novel fold | Descriptor: | NF1 | Authors: | Kobayashi, N, Sugiki, T, Fujiwara, T, Minami, S, Koga, R, Chikenji, G, Koga, N. | Deposit date: | 2020-03-23 | Release date: | 2021-03-24 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Exploration of novel alpha-beta-protein folds through de novo design Nat.Struct.Mol.Biol., 2023
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5MOW
| Crystal Structure of CK2alpha with ZT0432 bound | Descriptor: | 5-bromopyridine-2,3-diamine, ACETATE ION, Casein kinase II subunit alpha | Authors: | Brear, P, De Fusco, C, Georgiou, K, Iegre, J, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2016-12-14 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | A fragment-based approach leading to the discovery of a novel binding site and the selective CK2 inhibitor CAM4066. Bioorg. Med. Chem., 25, 2017
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3I60
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3HS5
| X-ray crystal structure of arachidonic acid bound to the cyclooxygenase channel of cyclooxygenase-2 | 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: | Vecchio, A.J, Simmons, D.M, Malkowski, M.G. | Deposit date: | 2009-06-10 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of fatty acid substrate binding to cyclooxygenase-2. J.Biol.Chem., 285, 2010
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5MG5
| A multi-component acyltransferase PhlABC from Pseudomonas protegens soaked with the monoacetylphloroglucinol (MAPG) | Descriptor: | 2,4-diacetylphloroglucinol biosynthesis protein, 2,4-diacetylphloroglucinol biosynthesis protein PhlC, Hydroxymethylglutaryl-CoA synthase, ... | Authors: | Pavkov-Keller, T, Schmidt, N.G, Kroutil, W, Gruber, K. | Deposit date: | 2016-11-20 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.44 Å) | Cite: | Structure and Catalytic Mechanism of a Bacterial Friedel-Crafts Acylase. Chembiochem, 20, 2019
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8RQB
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2FE6
| P450CAM from Pseudomonas putida reconstituted with manganic protoporphyrin IX | Descriptor: | Cytochrome P450-cam, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING MN | Authors: | von Koenig, K, Makris, T.M, Sligar, S.G, Schlichting, I. | Deposit date: | 2005-12-15 | Release date: | 2006-03-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The status of high-valent metal oxo complexes in the P450 cytochromes. J.Inorg.Biochem., 100, 2006
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2ZQ2
| Exploring trypsin S3 pocket | Descriptor: | CALCIUM ION, Cationic trypsin, GLYCEROL, ... | Authors: | Brandt, T, Baum, B, Heine, A, Klebe, G. | Deposit date: | 2008-08-03 | Release date: | 2009-08-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties J.Mol.Biol., 405, 2011
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5MHO
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2ZQX
| Cytochrome P450BSbeta cocrystallized with heptanoic acid | Descriptor: | Cytochrome P450 152A1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shoji, O, Fujishiro, T, Nagano, S, Hirose, T, Shiro, Y, Watanabe, Y. | Deposit date: | 2008-08-22 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Understanding substrate misrecognition of hydrogen peroxide dependent cytochrome P450 from Bacillus subtilis. J.Biol.Inorg.Chem., 2010
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7BPB
| Human AAA+ ATPase VCP mutant - T76E, AMP-PNP bound form, Conformation I | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Transitional endoplasmic reticulum ATPase | Authors: | Yang, C, Zhang, H. | Deposit date: | 2020-03-22 | Release date: | 2021-03-31 | Last modified: | 2022-04-27 | Method: | ELECTRON MICROSCOPY (4.3 Å) | Cite: | The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle. Cell Death Differ., 2022
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7U7O
| Isoreticular, interpenetrating co-crystal of Replication Initiator Protein REPE54 and symmetrical expanded duplex (31mer) containing the cognate REPE54 sequence and an additional T-A rich sequence. | Descriptor: | DNA (5'-D(A*TP*AP*AP*TP*TP*AP*CP*CP*TP*GP*TP*GP*AP*CP*AP*AP*AP*TP*TP*GP*CP*CP*CP*TP*CP*AP*GP*AP*CP*GP*G)-3'), DNA (5'-D(A*TP*AP*CP*CP*GP*TP*CP*TP*GP*AP*GP*GP*GP*CP*AP*AP*TP*TP*TP*GP*TP*CP*AP*CP*AP*GP*GP*TP*AP*AP*T)-3'), MAGNESIUM ION, ... | Authors: | Ward, A.R, Snow, C.D. | Deposit date: | 2022-03-07 | Release date: | 2023-03-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Modular Protein-DNA Cocrystals as Precise, Programmable Assembly Scaffolds. Acs Nano, 17, 2023
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5MRJ
| Crystal structure of Endo-1,4-beta-xylanase-like protein from Acremonium chrysogenum | Descriptor: | Beta-xylanase, SULFATE ION | Authors: | Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A. | Deposit date: | 2016-12-23 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of Endo-1,4-beta-xylanase-like protein from Acremonium chrysogenum To Be Published
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7BP8
| Human AAA+ ATPase VCP mutant - T76A, ADP-bound form | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Yang, C, Zhang, H. | Deposit date: | 2020-03-21 | Release date: | 2021-03-31 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle. Cell Death Differ., 2022
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7BP9
| Human AAA+ ATPase VCP mutant - T76E, ADP-bound form | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | Authors: | Yang, C, Zhang, H. | Deposit date: | 2020-03-21 | Release date: | 2021-03-31 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The phosphorylation and dephosphorylation switch of VCP/p97 regulates the architecture of centrosome and spindle. Cell Death Differ., 2022
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5MRS
| Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gabdulkhakov, A, Tishchenko, S, Lisov, A, Leontievsky, A. | Deposit date: | 2016-12-26 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of L1 protease Lysobacter sp. XL1 in complex with AEBSF To Be Published
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