3F68
 
 | | Thrombin Inhibition | | Descriptor: | Hirudin variant-2, N-acetyl-3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide, Prothrombin, ... | | Authors: | Baum, B, Heine, A, Klebe, G. | | Deposit date: | 2008-11-05 | | Release date: | 2009-10-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin.
J.Mol.Biol., 391, 2009
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3F6L
 | | Structure of the F4 fimbrial chaperone FaeE | | Descriptor: | Chaperone protein faeE | | Authors: | Van Molle, I, Moonens, K, Buts, L, Garcia-Pino, A, Wyns, L, De Greve, H, Bouckaert, J. | | Deposit date: | 2008-11-06 | | Release date: | 2009-05-19 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | The F4 fimbrial chaperone FaeE is stable as a monomer that does not require self-capping of its pilin-interactive surfaces
Acta Crystallogr.,Sect.D, 65, 2009
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3NAV
 | | Crystal structure of an alpha subunit of tryptophan synthase from Vibrio cholerae O1 biovar El Tor str. N16961 | | Descriptor: | 1,2-ETHANEDIOL, Tryptophan synthase alpha chain | | Authors: | Nocek, B, Makowska-Grzyska, M, Kwon, K, Anderson, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-06-02 | | Release date: | 2010-06-30 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of an alpha subunit of tryptophan synthase from Vibrio cholerae O1 biovar El Tor str. N16961
To be Published
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3FC7
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1KL3
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4DKL
 | | Crystal structure of the mu-opioid receptor bound to a morphinan antagonist | | Descriptor: | CHLORIDE ION, CHOLESTEROL, Mu-type opioid receptor, ... | | Authors: | Manglik, A, Kruse, A.C, Kobilka, T.S, Thian, F.S, Mathiesen, J.M, Sunahara, R.K, Pardo, L, Weis, W.I, Kobilka, B.K, Granier, S. | | Deposit date: | 2012-02-03 | | Release date: | 2012-03-21 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of the {mu}-opioid receptor bound to a morphinan antagonist.
Nature, 485, 2012
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1KSH
 | | Complex of Arl2 and PDE delta, Crystal Form 2 (native) | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Hanzal-Bayer, M, Renault, L, Roversi, P, Wittinghofer, A, Hillig, R.C. | | Deposit date: | 2002-01-13 | | Release date: | 2002-05-08 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The complex of Arl2-GTP and PDE delta: from structure to function.
EMBO J., 21, 2002
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1KVH
 | | NCSi-gb-bulge-DNA complex induced formation of a DNA bulge structure by a molecular wedge ligand-post-activated neocarzinostatin chromophore | | Descriptor: | 5'-D(*CP*CP*CP*GP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*AP*TP*TP*CP*GP*GP*G)-3', SPIRO[[7-METHOXY-5-METHYL-1,2-DIHYDRO-NAPHTHALENE]-3,1'-[5-HYDROXY-9-[2-METHYLAMINO-2,6-DIDEOXYGALACTOPYRANOSYL-OXY]-5-(2-OXO-[1,3]DIOXOLAN-4-YL)-3A,5,9,9A-TETRAHYDRO-3H-1-OXA-CYCLOPENTA[A]-S-INDACEN-2-ONE]] | | Authors: | Gao, X, Stassinopoulos, A, Ji, J, Kwon, Y, Bare, S, Goldberg, I.H. | | Deposit date: | 2002-01-26 | | Release date: | 2002-06-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Induced formation of a DNA bulge structure by a molecular wedge ligand-postactivated neocarzinostatin chromophore.
Biochemistry, 41, 2002
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6D3V
 | | Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, NICKEL (II) ION, ... | | Authors: | Hofmann, A, Cross, M, Park, S.-Y. | | Deposit date: | 2018-04-17 | | Release date: | 2018-05-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Trehalose 6-phosphate phosphatases of Pseudomonas aeruginosa.
FASEB J., 32, 2018
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1KJ3
 | | Mhc Class I H-2Kb molecule complexed with pKB1 peptide | | Descriptor: | BETA-2 MICROGLOBULIN, H-2KB MHC CLASS I MOLECULE ALPHA CHAIN, NATURALLY PROCESSED OCTAPEPTIDE PKB1 | | Authors: | Reiser, J.-B, Gregoire, C, Darnault, C, Mosser, T, Guimezanes, A, Schmitt-Verhulst, A.-M, Fontecilla-Camps, J.C, Mazza, G, Malissen, B, Housset, D. | | Deposit date: | 2001-12-04 | | Release date: | 2002-03-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | A T cell receptor CDR3beta loop undergoes conformational changes of unprecedented magnitude upon binding to a peptide/MHC class I complex.
Immunity, 16, 2002
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1KFF
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5E81
 | | Structure of T. thermophilus 70S ribosome complex with mRNA and tRNALys in the A-site with wobble pair | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Rozov, A, Demeshkina, N, Khusainov, I, Yusupov, M, Yusupova, G. | | Deposit date: | 2015-10-13 | | Release date: | 2016-01-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Novel base-pairing interactions at the tRNA wobble position crucial for accurate reading of the genetic code.
Nat Commun, 7, 2016
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5EC9
 | | Retinoic acid receptor alpha in complex with chiral dihydrobenzofuran benzoic acid 9a and a fragment of the coactivator TIF2 | | Descriptor: | 4-[(11S,15R)-4,4,7,7-Tetramethyl-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),2,8-trien-11-yl]benzoic acid, LYS-HIS-LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN-ASP, Retinoic acid receptor RXR-alpha | | Authors: | Leysen, S, Ottmann, C, Schafer, A, Scheepstra, M, Brunsveld, L, Sunden, R, Ma, J.N, Burnstein, E.S, Olsson, R. | | Deposit date: | 2015-10-20 | | Release date: | 2016-03-09 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Chiral Dihydrobenzofuran Acids Show Potent Retinoid X Receptor-Nuclear Receptor Related 1 Protein Dimer Activation.
J.Med.Chem., 59, 2016
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8CE9
 | | Crystal structure of human Cd11b I domain in C121 space group | | Descriptor: | 1,2-ETHANEDIOL, Integrin alpha-M, SULFATE ION | | Authors: | Koekemoer, L, Williams, E, Ni, X, Gao, Q, Coker, J, MacLean, E.M, Wright, N.D, Marsden, B, Von Delft, F, Schwenzer, A, Midwood, K. | | Deposit date: | 2023-02-01 | | Release date: | 2023-03-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of human Cd11b I domain in C121 space group
To Be Published
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7NTE
 | | The structure of an open conformation of the SBP TarP_Csal | | Descriptor: | MAGNESIUM ION, TRAP dicarboxylate transporter-DctP subunit | | Authors: | Bisson, C, Salmon, R.C, West, L, Rafferty, J.B, Hitchcock, A, Thomas, G.H, Kelly, D.J. | | Deposit date: | 2021-03-09 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The structural basis for high-affinity uptake of lignin-derived aromatic compounds by proteobacterial TRAP transporters.
Febs J., 289, 2022
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9ERX
 | | Structural basis of D9-THC analog activity at the Cannabinoid 1 receptor | | Descriptor: | (6aR,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol, Antibody ScFv16 Fab fragment, Cannabinoid receptor 1, ... | | Authors: | Thorsen, T.S, Kulkarni, Y, Boggild, A, Drace, T, Nissen, P, Gajhede, M, Boesen, T, Kastrup, J.S, Gloriam, D. | | Deposit date: | 2024-03-25 | | Release date: | 2024-06-26 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of Delta 9 -THC analog activity at the Cannabinoid 1 receptor.
Res Sq, 2024
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7OEK
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ091 | | Descriptor: | 4-[[(3S)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-2-oxidanyl-N-[[(3R)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-05-03 | | Release date: | 2021-10-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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5EGM
 | | Development of a novel tricyclic class of potent and selective FIXa inhibitors | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 2-chloranyl-~{N}-[(7~{S})-2-methyl-7-phenyl-10-(1~{H}-1,2,3,4-tetrazol-5-yl)-8,9-dihydro-6~{H}-pyrido[1,2-a]indol-7-yl]-4-(1,2,4-triazol-4-yl)benzamide, Coagulation factor IX, ... | | Authors: | Meng, D, Andre, P, Bateman, T.J, Berger, R, Chen, Y, Desai, K, Dewnani, S, Ellsworth, K, Feng, D, Geissler, W.M, Guo, L, Hruza, A, Jian, T, Li, H, Parker, D.L, Reichert, P, Sherer, E.C, Smith, C.J, Sonatore, L.M, Tschirret-Guth, R, Wu, J, Xu, J, Zhang, T, Campeau, L, Orr, R, Poirier, M, McCabe-Dunn, j, Araki, K, Nishimura, T, Sakurada, I, Hirabayashi, T, Wood, H.B. | | Deposit date: | 2015-10-27 | | Release date: | 2015-11-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.841 Å) | | Cite: | Development of a novel tricyclic class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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7OEL
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9FAB
 | | Additional cryo-EM structure of cardiac amyloid AL59 - bent polymorph | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Monoclonal immunoglobulin light chains (LC) | | Authors: | Schulte, T, Speranzini, V, Chaves-Sanjuan, A, Milazzo, M, Ricagno, S. | | Deposit date: | 2024-05-10 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Additional cryo-EM structure of cardiac amyloid AL59 - bent polymorph
To be published
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7OEF
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ038 | | Descriptor: | 4-(2-azaspiro[3.4]octan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-05-03 | | Release date: | 2021-10-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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7OEE
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ019b | | Descriptor: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{S})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-05-03 | | Release date: | 2021-10-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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7OEI
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ083 | | Descriptor: | (3~{R})-3-[[5-[(4,4-dimethylpiperidin-1-yl)methyl]-1~{H}-benzimidazol-2-yl]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-05-03 | | Release date: | 2021-10-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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7OED
 | | Crystal structure of the human METTL3-METTL14 complex with compound UOZ019a | | Descriptor: | 4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide, ACETATE ION, N6-adenosine-methyltransferase catalytic subunit, ... | | Authors: | Bedi, R.K, Huang, D, Caflisch, A. | | Deposit date: | 2021-05-03 | | Release date: | 2021-10-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Design of Inhibitors of the m6A-RNA Writer Enzyme METTL3
Acs Bio Med Chem Au, 2023
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9F8X
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