6RQ6
 
 | | CYP121 in complex with 3-fluoro dicyclotyrosine | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-fluoro dicyclotyrosine, Mycocyclosin synthase, ... | | Authors: | Poddar, H, Levy, C. | | Deposit date: | 2019-05-15 | | Release date: | 2020-04-22 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Structure-Activity Relationships of cyclo (l-Tyrosyl-l-tyrosine) Derivatives Binding to Mycobacterium tuberculosis CYP121: Iodinated Analogues Promote Shift to High-Spin Adduct.
J.Med.Chem., 62, 2019
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3K5G
 | | Human bace-1 complex with bjc060 | | Descriptor: | (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethyl]cyclohexanecarboxamide, Beta-secretase 1 | | Authors: | Rondeau, J.-M. | | Deposit date: | 2009-10-07 | | Release date: | 2010-05-05 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3K9K
 | | Transposase domain of Metnase | | Descriptor: | Histone-lysine N-methyltransferase SETMAR | | Authors: | Goodwin, K.D, He, H, Imasaki, T, Lee, S.-H, Georgiadis, M.M. | | Deposit date: | 2009-10-15 | | Release date: | 2010-07-14 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Crystal structure of the human Hsmar1-derived transposase domain in the DNA repair enzyme Metnase.
Biochemistry, 49, 2010
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6F0N
 | | GLIC mutant E82A | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Hu, H.D, Delarue, M. | | Deposit date: | 2017-11-20 | | Release date: | 2018-01-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
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3FC5
 | | G586S mutant nNOSoxy | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, Nitric oxide synthase, ... | | Authors: | Bruckmann, C, Mowat, C.G. | | Deposit date: | 2008-11-21 | | Release date: | 2009-11-03 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Oxygen Activation in Neuronal NO Synthase: Stabilisation of a Novel Intermediate in the G586S Mutant
To be Published
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4EE0
 | | Crystal structure of hH-PGDS with water displacing inhibitor | | Descriptor: | 4-(isoquinolin-1-yl)-N-[2-(morpholin-4-yl)ethyl]benzamide, Hematopoietic prostaglandin D synthase, L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, ... | | Authors: | Day, J.E, Thorarensen, A, Trujillo, J.I. | | Deposit date: | 2012-03-28 | | Release date: | 2012-07-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters.
Bioorg.Med.Chem.Lett., 22, 2012
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6F15
 | | GLIC mutant H127Q | | Descriptor: | ACETATE ION, CHLORIDE ION, DIUNDECYL PHOSPHATIDYL CHOLINE, ... | | Authors: | Hu, H.D, Delarue, M. | | Deposit date: | 2017-11-21 | | Release date: | 2018-01-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Full mutational mapping of titratable residues helps to identify proton-sensors involved in the control of channel gating in the Gloeobacter violaceus pentameric ligand-gated ion channel.
PLoS Biol., 15, 2017
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4ECC
 | | Chimeric GST Containing Inserts of Kininogen Peptides | | Descriptor: | chimeric protein between GSHKT10 and domain 5 of kininogen-1 | | Authors: | Amber, A.B, Sergei, M.M, Yi, P, Rita, R, Xiaoping, Q, Marianne, P.-C, William, C.M, Vivien, Y, Keith, R.M, Anton, A.K. | | Deposit date: | 2012-03-26 | | Release date: | 2012-05-16 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Chimeric glutathione S-transferases containing inserts of kininogen peptides: potential novel protein therapeutics.
J.Biol.Chem., 287, 2012
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3KAI
 | | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | | Descriptor: | (2R)-2-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]-3-naphthalen-2-yl-propanoic acid, DODECAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | | Deposit date: | 2009-10-19 | | Release date: | 2009-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
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6RT7
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6B7D
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine | | Descriptor: | 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine, DIMETHYL SULFOXIDE, POTASSIUM ION, ... | | Authors: | Proudfoot, A.W, Bussiere, D, Lingel, A. | | Deposit date: | 2017-10-03 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High-Confidence Protein-Ligand Complex Modeling by NMR-Guided Docking Enables Early Hit Optimization.
J. Am. Chem. Soc., 139, 2017
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3J8F
 | | Cryo-EM reconstruction of poliovirus-receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Capsid protein VP1, ... | | Authors: | Strauss, M, Filman, D.J, Belnap, D.M, Cheng, N, Noel, R.T, Hogle, J.M. | | Deposit date: | 2014-10-20 | | Release date: | 2015-02-11 | | Last modified: | 2022-12-21 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Nectin-Like Interactions between Poliovirus and Its Receptor Trigger Conformational Changes Associated with Cell Entry.
J.Virol., 89, 2015
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3J8J
 | | Tilted state of actin, T1 | | Descriptor: | Actin, alpha skeletal muscle | | Authors: | Galkin, V.E, Orlova, A, Vos, M.R, Schroder, G.F, Egelman, E.H. | | Deposit date: | 2014-11-07 | | Release date: | 2015-01-14 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (12 Å) | | Cite: | Near-atomic resolution for one state of f-actin.
Structure, 23, 2015
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6MBB
 | | Human Bfl-1 in complex with the designed peptide dF1 | | Descriptor: | Bcl-2-related protein A1, dF1 | | Authors: | Jenson, J.M, Keating, A.E. | | Deposit date: | 2018-08-29 | | Release date: | 2019-03-06 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
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6B8H
 | | Mosaic model of yeast mitochondrial ATP synthase monomer | | Descriptor: | AATP synthase subunit g, ATP synthase catalytic sector F1 epsilon subunit, ATP synthase protein 8, ... | | Authors: | Guo, H, Bueler, S.A, Rubinstein, J.L. | | Deposit date: | 2017-10-07 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Atomic model for the dimeric FO region of mitochondrial ATP synthase.
Science, 358, 2017
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3T0B
 | | E. coli (LacZ) beta-galactosidase (S796T) IPTG complex | | Descriptor: | 1-methylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, DIMETHYL SULFOXIDE, ... | | Authors: | Jancewicz, L.J, Wheatley, R.W, Sutendra, G, Lee, M, Fraser, M, Huber, R.E. | | Deposit date: | 2011-07-19 | | Release date: | 2012-01-18 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | er-796 of Beta-Galactosidase (E. coli) Plays a Key Role in Maintaining an Optimum Balance between the Opened and Closed Conformations of the Catalytically Important Active Site Loop
Arch.Biochem.Biophys., 517, 2012
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6B3R
 | | Structure of the mechanosensitive channel Piezo1 | | Descriptor: | Piezo-type mechanosensitive ion channel component 1, unknown fragment | | Authors: | Guo, Y.R, MacKinnon, R. | | Deposit date: | 2017-09-22 | | Release date: | 2017-12-20 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Structure-based membrane dome mechanism for Piezo mechanosensitivity.
Elife, 6, 2017
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6S3R
 | | Structure of the FliPQR complex from the flagellar type 3 secretion system of Pseudomonas savastanoi. | | Descriptor: | Flagellar biosynthetic protein FliP, Flagellar biosynthetic protein FliQ, Flagellar biosynthetic protein FliR | | Authors: | Kuhlen, L, Johnson, S, Deme, J.C, Lea, S.M. | | Deposit date: | 2019-06-25 | | Release date: | 2020-03-25 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The substrate specificity switch FlhB assembles onto the export gate to regulate type three secretion.
Nat Commun, 11, 2020
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3J9Z
 | | Activation of GTP Hydrolysis in mRNA-tRNA Translocation by Elongation Factor G | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Li, W, Liu, Z, Koripella, R.K, Langlois, R, Sanyal, S, Frank, J. | | Deposit date: | 2015-03-27 | | Release date: | 2015-07-01 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Activation of GTP hydrolysis in mRNA-tRNA translocation by elongation factor G.
Sci Adv, 1, 2015
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3JCE
 | | Structure of Escherichia coli EF4 in pretranslocational ribosomes (Pre EF4) | | Descriptor: | 16S ribosomal RNA, 23 ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Zhang, D, Yan, K, Liu, G, Song, G, Luo, J, Shi, Y, Cheng, E, Wu, S, Jiang, T, Low, J, Gao, N, Qin, Y. | | Deposit date: | 2015-12-01 | | Release date: | 2016-01-13 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | EF4 disengages the peptidyl-tRNA CCA end and facilitates back-translocation on the 70S ribosome
Nat. Struct. Mol. Biol., 23, 2016
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6RVD
 | | Revised cryo-EM structure of the human 2:1 Ptch1-Shh complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | El Omari, K, Rudolf, A.F, Kowatsch, C, Malinauskas, T, Kinnebrew, M, Ansell, T.B, Bishop, B, Pardon, E, Schwab, R.A, Qian, M, Duman, R, Covey, D.F, Steyaert, J, Wagner, A, Sansom, M.S.P, Rohatgi, R, Siebold, C. | | Deposit date: | 2019-05-31 | | Release date: | 2019-10-02 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The morphogen Sonic hedgehog inhibits its receptor Patched by a pincer grasp mechanism.
Nat.Chem.Biol., 15, 2019
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6M22
 | | KCC3 bound with DIOA | | Descriptor: | 2-[[(2~{R})-2-butyl-6,7-bis(chloranyl)-2-cyclopentyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Chi, X.M, Li, X.R, Chen, Y, Zhang, Y.Y, Su, Q, Zhou, Q. | | Deposit date: | 2020-02-26 | | Release date: | 2020-11-04 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM structures of the full-length human KCC2 and KCC3 cation-chloride cotransporters.
Cell Res., 31, 2021
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3T2T
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6ME2
 | | XFEL crystal structure of human melatonin receptor MT1 in complex with ramelteon | | Descriptor: | DI(HYDROXYETHYL)ETHER, N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, OLEIC ACID, ... | | Authors: | Stauch, B, Johansson, L.C, McCorvy, J.D, Patel, N, Han, G.W, Gati, C, Batyuk, A, Ishchenko, A, Brehm, W, White, T.A, Michaelian, N, Madsen, C, Zhu, L, Grant, T.D, Grandner, J.M, Olsen, R.H.J, Tribo, A.R, Weierstall, U, Roth, B.L, Katritch, V, Liu, W, Cherezov, V. | | Deposit date: | 2018-09-05 | | Release date: | 2019-04-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural basis of ligand recognition at the human MT1melatonin receptor.
Nature, 569, 2019
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3K0A
 | | Crystal structure of the phosphorylation-site mutant S431A of the KaiC circadian clock protein | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Circadian clock protein kinase KaiC, MAGNESIUM ION | | Authors: | Pattanayek, R, Egli, M, Pattanayek, S. | | Deposit date: | 2009-09-24 | | Release date: | 2010-03-31 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structures of KaiC Circadian Clock Mutant Proteins: A New Phosphorylation Site at T426 and Mechanisms of Kinase, ATPase and Phosphatase.
Plos One, 4, 2009
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