5DL8
 
 | |
6OY4
 | | Crystal structure of complex between recombinant Der p 2.0103 and Fab fragment of 7A1 | | Descriptor: | Der p 2 variant 3, Fab fragment of IgG, HEAVY CHAIN, ... | | Authors: | Kapingidza, A.B, Offermann, L.R, Glesner, J, Wunschmann, S, Vailes, L.D, Chapman, M.D.C, Pomes, A, Chruszcz, M. | | Deposit date: | 2019-05-14 | | Release date: | 2019-08-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | A Human IgE Antibody Binding Site on Der p 2 for the Design of a Recombinant Allergen for Immunotherapy.
J Immunol., 203, 2019
|
|
5DB5
 | | Crystal structure of PLP-bound E. coli SufS (cysteine persulfide intermediate) in space group P21 | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, CYSTEINE, ... | | Authors: | Arbing, M.A, Shin, A, Koo, C.W, Medrano-Soto, A, Eisenberg, D. | | Deposit date: | 2015-08-20 | | Release date: | 2016-08-24 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Crystal structure of PLP-bound E. coli SufS (cysteine persulfide intermediate) in space group P21
To Be Published
|
|
5DE5
 | | Crystal structure of the complex between human FMRP RGG motif and G-quadruplex RNA. | | Descriptor: | Fragile X mental retardation protein 1, POTASSIUM ION, sc1 | | Authors: | Vasilyev, N, Polonskaia, A, Darnell, J.C, Darnell, R.B, Patel, D.J, Serganov, A. | | Deposit date: | 2015-08-25 | | Release date: | 2015-09-23 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.0011 Å) | | Cite: | Crystal structure reveals specific recognition of a G-quadruplex RNA by a beta-turn in the RGG motif of FMRP.
Proc.Natl.Acad.Sci.USA, 112, 2015
|
|
4BGK
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with (3-(Trimethylammonio)propyl)phosphinate | | Descriptor: | GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, N-OXALYLGLYCINE, ... | | Authors: | Tars, K, Leitans, J, Kazaks, A. | | Deposit date: | 2013-03-27 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
|
|
5DL5
 | |
5E7F
 | | Complex between lactococcal phage Tuc2009 RBP head domain and a nanobody (L06) | | Descriptor: | Major structural protein 1, nanobody L06 | | Authors: | Legrand, P, Collins, B, Blangy, S, Murphy, J, Spinelli, S, Gutierrez, C, Richet, N, Kellenberger, C, Desmyter, A, Mahony, J, van Sinderen, D, Cambillau, C. | | Deposit date: | 2015-10-12 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | The Atomic Structure of the Phage Tuc2009 Baseplate Tripod Suggests that Host Recognition Involves Two Different Carbohydrate Binding Modules.
Mbio, 7, 2016
|
|
5E7T
 | | Structure of the tripod (BppUct-A-L) from the baseplate of bacteriophage Tuc2009 | | Descriptor: | CALCIUM ION, Major structural protein 1, Minor structural protein 4, ... | | Authors: | Legrand, P, Collins, B, Blangy, S, Murphy, J, Spinelli, S, Gutierrez, C, Richet, N, Kellenberger, C, Desmyter, A, Mahony, J, van Sinderen, D, Cambillau, C. | | Deposit date: | 2015-10-13 | | Release date: | 2015-12-30 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Atomic Structure of the Phage Tuc2009 Baseplate Tripod Suggests that Host Recognition Involves Two Different Carbohydrate Binding Modules.
Mbio, 7, 2016
|
|
5ECE
 | | Tankyrase 1 with Phthalazinone 1 | | Descriptor: | 1,2-ETHANEDIOL, 2-[4-[3-[(4-oxidanylidene-3~{H}-phthalazin-1-yl)methyl]phenyl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile, ACETATE ION, ... | | Authors: | Kazmirski, S.L, Johannes, J, Read, J.A, Howard, T, Larsen, N.A, Ferguson, A.D. | | Deposit date: | 2015-10-20 | | Release date: | 2015-11-25 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery of AZ0108, an orally bioavailable phthalazinone PARP inhibitor that blocks centrosome clustering.
Bioorg.Med.Chem.Lett., 25, 2015
|
|
5A29
 | | Family 2 Pectate Lyase from Vibrio vulnificus | | Descriptor: | 1,2-ETHANEDIOL, EXOPOLYGALACTURONATE LYASE, MANGANESE (II) ION, ... | | Authors: | McLean, R, Hobbs, J.K, Suits, M.D, Tuomivaara, S, Jones, D, Boraston, A.B, Abbott, D.W. | | Deposit date: | 2015-05-15 | | Release date: | 2015-07-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Functional Analyses of Resurrected and Contemporary Enzymes Illuminate an Evolutionary Path for the Emergence of Exolysis in Polysaccharide Lyase Family 2.
J.Biol.Chem., 290, 2015
|
|
5A0B
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | Deposit date: | 2015-04-17 | | Release date: | 2015-08-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
|
|
4OXK
 | | Multiple binding modes of inhibitor PT155 to the Mycobacterium tuberculosis enoyl-ACP reductase InhA within a tetramer | | Descriptor: | 3,6,9,12,15-pentaoxaoctadecan-17-amine, 5-(4-amino-2-methylphenoxy)-2-hexyl-4-hydroxy-1-methylpyridinium, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-02-05 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8429 Å) | | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
|
|
5E7B
 | | Structure of a nanobody (vHH) from camel against phage Tuc2009 RBP (BppL, ORF53) | | Descriptor: | nanobody nano-L06 | | Authors: | Legrand, P, Collins, B, Blangy, S, Murphy, J, Spinelli, S, Gutierrez, C, Richet, N, Kellenberger, C, Desmyter, A, Mahony, J, van Sinderen, D, Cambillau, C. | | Deposit date: | 2015-10-12 | | Release date: | 2015-12-30 | | Last modified: | 2016-05-04 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | The Atomic Structure of the Phage Tuc2009 Baseplate Tripod Suggests that Host Recognition Involves Two Different Carbohydrate Binding Modules.
Mbio, 7, 2016
|
|
4BHI
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 3-(1,1,1,2-Tetramethylhydrazin-1-ium-2-yl)propanoate | | Descriptor: | 3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | | Authors: | Tars, K, Leitans, J, Kazaks, A. | | Deposit date: | 2013-04-03 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
|
|
5DKD
 | | Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe | | Descriptor: | (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one, 1,2-ETHANEDIOL, Transcription activator BRG1, ... | | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Fedorov, O, Savitsky, P, Nunez-Alonso, G, Newman, J.A, Filippakopoulos, P, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. | | Deposit date: | 2015-09-03 | | Release date: | 2015-10-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the bromodomain of human BRG1 (SMARCA4) in complex with PFI-3 chemical probe
To Be Published
|
|
5DL7
 | |
4OYR
 | | Competition of the small inhibitor PT91 with large fatty acyl substrate of the Mycobacterium tuberculosis enoyl-ACP reductase InhA by induced substrate-binding loop refolding | | Descriptor: | 2-(2-chloranylphenoxy)-5-hexyl-phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Li, H.J, Pan, P, Lai, C.T, Liu, N, Garcia-Diaz, M, Simmerling, C, Tonge, P.J. | | Deposit date: | 2014-02-13 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.2995 Å) | | Cite: | A Structural and Energetic Model for the Slow-Onset Inhibition of the Mycobacterium tuberculosis Enoyl-ACP Reductase InhA.
Acs Chem.Biol., 9, 2014
|
|
5DKC
 | | Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with PFI-3 chemical probe | | Descriptor: | (2E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(pyridin-2-yl)-2,5-diazabicyclo[2.2.1]hept-2-yl]prop-2-en-1-one, Probable global transcription activator SNF2L2, ZINC ION | | Authors: | Tallant, C, Owen, D.R, Gerstenberger, B.S, Fedorov, O, Savitsky, P, Nunez-Alonso, G, Fonseca, M, Krojer, T, Filippakopoulos, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Muller, S, Knapp, S. | | Deposit date: | 2015-09-03 | | Release date: | 2015-10-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the bromodomain of human BRM (SMARCA2) in complex with PFI-3 chemical probe
To Be Published
|
|
4BHF
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Trimethylammonio)pentanoate | | Descriptor: | 4-(Trimethylammonio)pentanoic acid, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | | Authors: | Tars, K, Leitans, J, Kazaks, A. | | Deposit date: | 2013-04-02 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
|
|
5BTQ
 | | Crystal structure of human heme oxygenase 1 H25R with biliverdin bound | | Descriptor: | BILIVERDINE IX ALPHA, Heme oxygenase 1, SULFATE ION | | Authors: | Caaveiro, J.M.M, Morante, K, Sigala, P, Tsumoto, K. | | Deposit date: | 2015-06-03 | | Release date: | 2016-06-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | In-Cell Enzymology To Probe His-Heme Ligation in Heme Oxygenase Catalysis
Biochemistry, 55, 2016
|
|
5B2Q
 | | Crystal structure of Francisella novicida Cas9 RHA in complex with sgRNA and target DNA (TGG PAM) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Hirano, H, Nishimasu, H, Nakane, T, Ishitani, R, Nureki, O. | | Deposit date: | 2016-02-01 | | Release date: | 2016-03-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and Engineering of Francisella novicida Cas9
Cell, 164, 2016
|
|
5V5C
 | | VQIINK, Structure of the amyloid-spine from microtubule associated protein tau Repeat 2 | | Descriptor: | Microtubule-associated protein tau | | Authors: | Seidler, P.M, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S, Cascio, D, Boyer, D.R. | | Deposit date: | 2017-03-14 | | Release date: | 2018-02-07 | | Last modified: | 2024-03-13 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.25 Å) | | Cite: | Structure-based inhibitors of tau aggregation.
Nat Chem, 10, 2018
|
|
4BG1
 | | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 1-(3-Carboxypropyl)-1-methylpyrrolidin-1-ium chloride | | Descriptor: | 1-(3-carboxypropyl)-1-methylpyrrolidin-1-ium, GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, ... | | Authors: | Tars, K, Leitans, J, Kazaks, A. | | Deposit date: | 2013-03-22 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase.
J.Med.Chem., 57, 2014
|
|
5B2O
 | | Crystal structure of Francisella novicida Cas9 in complex with sgRNA and target DNA (TGG PAM) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | Authors: | Hirano, H, Nishimasu, H, Nakane, T, Ishitani, R, Nureki, O. | | Deposit date: | 2016-02-01 | | Release date: | 2016-03-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and Engineering of Francisella novicida Cas9
Cell, 164, 2016
|
|
5E78
 | | Crystal structure of P450 BM3 heme domain variant complexed with Co(III)Sep | | Descriptor: | 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane, Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, ... | | Authors: | Panneerselvm, S, Shehzad, A, Bocola, M, Mueller-Dieckmann, J, Schwaneberg, U. | | Deposit date: | 2015-10-12 | | Release date: | 2016-09-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic insights into a cobalt (III) sepulchrate based alternative cofactor system of P450 BM3 monooxygenase.
Biochim. Biophys. Acta, 1866, 2018
|
|
