8G43
| Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(methylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid | Descriptor: | 3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-08 | Release date: | 2023-05-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6. J.Med.Chem., 66, 2023
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5MBD
| Structure of a bacterial light-regulated adenylyl cylcase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, CHLORIDE ION, FLAVIN MONONUCLEOTIDE | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-11-08 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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8GM5
| Functional construct of the Eukaryotic elongation factor 2 kinase bound to Calmodulin, ADP and to the A-484954 inhibitor and showing two conformations for the 498-520 loop | Descriptor: | 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | Authors: | Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R. | Deposit date: | 2023-03-24 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure of the complex between calmodulin and a functional construct of eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor. J.Biol.Chem., 299, 2023
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8G44
| Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(benzylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid | Descriptor: | 3-{3-[2-(benzylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-08 | Release date: | 2023-05-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6. J.Med.Chem., 66, 2023
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3S6A
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5MBJ
| Structure of a bacterial light-regulated adenylyl cyclase | Descriptor: | Beta subunit of photoactivated adenylyl cyclase, FLAVIN MONONUCLEOTIDE | Authors: | Lindner, R, Hartmann, E, Tarnawski, M, Winkler, A, Frey, D, Reinstein, J, Meinhart, A, Schlichting, I. | Deposit date: | 2016-11-08 | Release date: | 2017-04-05 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Photoactivation Mechanism of a Bacterial Light-Regulated Adenylyl Cyclase. J. Mol. Biol., 429, 2017
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6Y91
| Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with NADH | Descriptor: | Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M. | Deposit date: | 2020-03-06 | Release date: | 2021-03-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A fragment-based approach identifies an allosteric pocket that impacts malate dehydrogenase activity. Commun Biol, 4, 2021
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8GF8
| Cryo-EM structure of human TRPV1 in cNW11 nanodisc and soybean lipids | Descriptor: | (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, ... | Authors: | Neuberger, A, Nadezhdin, K.D, Sobolevsky, A.I. | Deposit date: | 2023-03-07 | Release date: | 2023-05-10 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Human TRPV1 structure and inhibition by the analgesic SB-366791. Nat Commun, 14, 2023
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6YBH
| Deoxyribonucleoside Kinase | Descriptor: | Deoxynucleoside kinase, GLYCEROL, Pyrrolo-dC, ... | Authors: | Allouche-Arnon, H, Bar-Shir, A, Dym, O. | Deposit date: | 2020-03-17 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Computationally designed dual-color MRI reporters for noninvasive imaging of transgene expression. Nat.Biotechnol., 40, 2022
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8GDI
| X-ray crystal structure of CYP124A1 from Mycobacterium Marinum in complex with 7-ketocholesterol | Descriptor: | (3beta,8alpha,9beta)-3-hydroxycholest-5-en-7-one, Cytochrome P450 124A1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ghith, A, Bruning, J.B, Bell, S.G. | Deposit date: | 2023-03-06 | Release date: | 2023-05-24 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | The oxidation of cholesterol derivatives by the CYP124 and CYP142 enzymes from Mycobacterium marinum. J.Steroid Biochem.Mol.Biol., 231, 2023
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3O4Y
| Crystal structure of CAD domain of the Plasmodium Vivax CDPK, PVX_11610 | Descriptor: | CALCIUM ION, Calcium-dependent protein kinase 3, GLYCEROL, ... | Authors: | Wernimont, A.K, Hutchinson, A, Sullivan, H, Weadge, J, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2010-07-27 | Release date: | 2010-08-25 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of CAD domain of the Plasmodium Vivax CDPK, PVX_11610 TO BE PUBLISHED
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6NCG
| Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to pyridin-benzenesulfonamide inhibitor | Descriptor: | 4-[6-amino-5-(3,5-difluoro-4-hydroxyphenyl)pyridin-3-yl]benzene-1-sulfonamide, SULFATE ION, Serine/threonine-protein kinase VRK2 | Authors: | dos Reis, C.V, Chiodi, C.G, de Souza, G.P, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Counago, R.M, Massirer, K.B, Elkins, J.M, Arruda, P, Edwards, A.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-11 | Release date: | 2019-01-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to pyridin-benzenesulfonamide inhibitor To Be Published
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6Q0M
| Structure of Erbin PDZ derivative E-14 with a high-affinity peptide | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | Authors: | Singer, A.U, Teyra, J, Ernst, A, Sicheri, F, Sidhu, S.S. | Deposit date: | 2019-08-02 | Release date: | 2019-11-13 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Comprehensive analysis of all evolutionary paths between two divergent PDZ domain specificities. Protein Sci., 29, 2020
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1KUW
| High-Resolution Structure and Localization of Amylin Nucleation Site in Detergent Micelles | Descriptor: | Islet amyloid polypeptide | Authors: | Mascioni, A, Porcelli, F, Ilangovan, U, Ramamoorthy, A, Veglia, G. | Deposit date: | 2002-01-22 | Release date: | 2003-09-02 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Conformational preferences of the amylin nucleation site in SDS micelles: an NMR study. Biopolymers, 69, 2003
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1Q72
| Anti-Cocaine Antibody M82G2 Complexed with Cocaine | Descriptor: | COCAINE, Fab M82G2, Heavy chain, ... | Authors: | Pozharski, E, Moulin, A, Hewagama, A, Shanafelt, A.B, Petsko, G.A, Ringe, D. | Deposit date: | 2003-08-15 | Release date: | 2003-08-26 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Diversity in hapten recognition: structural study of an anti-cocaine antibody M82G2. J.Mol.Biol., 349, 2005
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5F1H
| Crystal structure of the BRD9 bromodamian in complex with BI-9564. | Descriptor: | 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 9 | Authors: | Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2015-11-30 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
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1F92
| UROKINASE PLASMINOGEN ACTIVATOR B CHAIN-UKI-1D COMPLEX | Descriptor: | SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR, [2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO-PHENYLALANINYL]]-N'-BETA-ALANINYL-PIPERAZINE | Authors: | Zeslawska, E, Schweinitz, A, Karcher, A, Sondermann, P, Sperl, S, Sturzebecher, J, Jacob, U. | Deposit date: | 2000-07-06 | Release date: | 2001-07-06 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystals of the urokinase type plasminogen activator variant beta(c)-uPAin complex with small molecule inhibitors open the way towards structure-based drug design. J.Mol.Biol., 301, 2000
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5F1L
| Crystal structure of the bromodomain of BRD9 in complex with compound 9. | Descriptor: | 5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 9 | Authors: | Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A. | Deposit date: | 2015-11-30 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor. J.Med.Chem., 59, 2016
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6ND6
| Crystal structure of the Thermus thermophilus 70S ribosome in complex with erythromycin and bound to mRNA and A-, P-, and E-site tRNAs at 2.85A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Svetlov, M.S, Plessa, E, Chen, C.-W, Bougas, A, Krokidis, M.G, Dinos, G.P, Polikanov, Y.S. | Deposit date: | 2018-12-13 | Release date: | 2019-02-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | High-resolution crystal structures of ribosome-bound chloramphenicol and erythromycin provide the ultimate basis for their competition. RNA, 25, 2019
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6NKG
| Crystal Structure of the Lipase Lip_vut5 from Goat Rumen metagenome. | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Lip_vut5, ... | Authors: | Kim, Y, Welk, L, Mukendi, G, Nkhi, G, Motloi, T, Jedrzejczak, R, Feto, N, Joachimiak, A. | Deposit date: | 2019-01-07 | Release date: | 2020-01-22 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structure of the Lipase Lip_vut5 from Goat Rumen metagenome. To Be Published
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6NLW
| The crystal structure of class D carbapenem-hydrolyzing beta-lactamase BlaA from Shewanella oneidensis MR-1 | Descriptor: | Beta-lactamase, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tan, K, Tesar, C, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-01-09 | Release date: | 2019-01-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The crystal structure of class D carbapenem-hydrolyzing beta-lactamase BlaA from Shewanella oneidensis MR-1 To Be Published
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6YM5
| Crystal structure of BAY-091 with PIP4K2A | Descriptor: | (2~{R})-2-[[3-cyano-2-[4-(2-fluoranyl-3-methyl-phenyl)phenyl]-1,7-naphthyridin-4-yl]amino]butanoic acid, PHOSPHATE ION, Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha | Authors: | Holton, S.J, Wortmann, L, Braeuer, N, Irlbacher, H, Weiske, J, Lechner, C, Meier, R, Puetter, V, Christ, C, ter Laak, T, Lienau, P, Lesche, R, Nicke, B, Bauser, M, Haegebarth, A, von Nussbaum, F, Mumberg, D, Lemos, C. | Deposit date: | 2020-04-07 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery and Characterization of the Potent and Highly Selective 1,7-Naphthyridine-Based Inhibitors BAY-091 and BAY-297 of the Kinase PIP4K2A. J.Med.Chem., 64, 2021
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6QD6
| Molecular scaffolds expand the nanobody toolkit for cryo-EM applications: crystal structure of Mb-cHopQ-Nb207 | Descriptor: | CHLORIDE ION, Mb-cHopQ-Nb207,Outer membrane protein,Mb-cHopQ-Nb207,Outer membrane protein,Mb-cHopQ-Nb207 | Authors: | Uchanski, T, Masiulis, S, Fischer, B, Kalichuk, V, Wohlkonig, A, Zogg, T, Remaut, H, Vranken, W, Aricescu, A.R, Pardon, E, Steyaert, J. | Deposit date: | 2018-12-31 | Release date: | 2019-12-18 | Last modified: | 2021-01-13 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Megabodies expand the nanobody toolkit for protein structure determination by single-particle cryo-EM Nat.Methods, 18, 2021
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8GM4
| Functional construct of the Eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor | Descriptor: | 7-amino-1-cyclopropyl-3-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxamide, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | Authors: | Piserchio, A, Isiorho, E.A, Dalby, K.N, Ghose, R. | Deposit date: | 2023-03-24 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Structure of the complex between calmodulin and a functional construct of eukaryotic elongation factor 2 kinase bound to an ATP-competitive inhibitor. J.Biol.Chem., 299, 2023
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6NOE
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