3NXF
 
 | | Robust computational design, optimization, and structural characterization of retroaldol enzymes | | Descriptor: | Retro-Aldolase, SULFATE ION | | Authors: | Althoff, E.A, Jiang, L, Wang, L, Lassila, J.K, Moody, J, Bolduc, J, Wang, Z.Z, Smith, M, Hari, S, Herschlag, D, Stoddard, B.L, Baker, D. | | Deposit date: | 2010-07-13 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural analyses of covalent enzyme-substrate analog complexes reveal strengths and limitations of de novo enzyme design.
J.Mol.Biol., 415, 2012
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8C67
 | | Crystal structure of Ab25 Fab | | Descriptor: | antibody 25 heavy chain, antibody 25 light chain | | Authors: | Nyblom, M, Izadi, A, Tang, D, Bahnan, W, Happonen, L, Malmstroem, J, Shannon, O, Malmstroem, L, Nordenfelt, P. | | Deposit date: | 2023-01-11 | | Release date: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Engineering of IgG1 hinge to the flexible IgG3 hinge enhances immune defense against streptococci
To Be Published
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8BYR
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5U4K
 | | NMR structure of the complex between the KIX domain of CBP and the transactivation domain 1 of p65 | | Descriptor: | CREB-binding protein, Transcription factor p65 | | Authors: | Lecoq, L, Raiola, L, Chabot, P.R, Cyr, N, Arseneault, G, Omichinski, J.G. | | Deposit date: | 2016-12-05 | | Release date: | 2017-03-08 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structural characterization of interactions between transactivation domain 1 of the p65 subunit of NF-kappa B and transcription regulatory factors.
Nucleic Acids Res., 45, 2017
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6ESM
 | | Crystal structure of MMP9 in complex with inhibitor BE4. | | Descriptor: | (2~{S})-2-[2-[4-(4-methoxyphenyl)phenyl]sulfanylphenyl]pentanedioic acid, CALCIUM ION, Matrix metalloproteinase-9,Matrix metalloproteinase-9, ... | | Authors: | Ciccone, L, Tepshi, L, Nuti, E, Rossello, A, Stura, E.A. | | Deposit date: | 2017-10-23 | | Release date: | 2018-05-16 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.104 Å) | | Cite: | Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
J. Med. Chem., 61, 2018
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2YHO
 | | The IDOL-UBE2D complex mediates sterol-dependent degradation of the LDL receptor | | Descriptor: | ACETATE ION, E3 UBIQUITIN-PROTEIN LIGASE MYLIP, UBIQUITIN-CONJUGATING ENZYME E2 D1, ... | | Authors: | Fairall, L, Goult, B.T, Millard, C.J, Tontonoz, P, Schwabe, J.W.R. | | Deposit date: | 2011-05-04 | | Release date: | 2011-06-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Idol-Ube2D Complex Mediates Sterol-Dependent Degradation of the Ldl Receptor.
Genes Dev., 25, 2011
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5JHH
 | | Crystal structure of the ternary complex between the human RhoA, its inhibitor and the DH/PH domain of human ARHGEF11 | | Descriptor: | 3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid, GLYCEROL, Rho guanine nucleotide exchange factor 11, ... | | Authors: | Lv, Z, Wang, R, Ma, L, Miao, Q, Wu, J, Yan, Z, Li, J, Miao, L, Wang, F. | | Deposit date: | 2016-04-21 | | Release date: | 2017-04-26 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallization and preliminary X-ray crystallographic analysis of a small GTPase RhoA bound with its inhibitor and PDZRhoGEF
To Be Published
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6JFI
 | | The symmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex | | Descriptor: | FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural protein E, ... | | Authors: | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | | Deposit date: | 2019-02-08 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (11 Å) | | Cite: | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
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1O9W
 | | F17-aG lectin domain from Escherichia coli in complex with N-acetyl-glucosamine | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, F17A-G FIMBRIAL ADHESIN | | Authors: | Buts, L, De Genst, E, Loris, R, Oscarson, S, Lahmann, M, Messens, J, Brosens, E, Wyns, L, Bouckaert, J, De Greve, H. | | Deposit date: | 2002-12-20 | | Release date: | 2003-05-29 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The Fimbrial Adhesin F17-G of Enterotoxigenic Escherichia Coli Has an Immunoglobulin-Like Lectin Domain that Binds N-Acetylglucosamine
Mol.Microbiol., 49, 2003
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3J9B
 | | Electron cryo-microscopy of an RNA polymerase | | Descriptor: | Polymerase, Polymerase basic protein 2, RNA (5'-R(*UP*UP*UP*UP*UP*A)-3'), ... | | Authors: | Chang, S.H, Sun, D.P, Liang, H.H, Wang, J, Li, J, Guo, L, Wang, X.L, Guan, C.C, Boruah, B.M, Yuan, L.M, Feng, F, Yang, M.R, Wojdyla, J, Wang, J.W, Wang, M.T, Wang, H.W, Liu, Y.F. | | Deposit date: | 2014-12-16 | | Release date: | 2015-02-18 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Cryo-EM Structure of Influenza Virus RNA Polymerase Complex at 4.3 angstrom Resolution.
Mol.Cell, 2015
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7TD5
 | | Structure of human PRC2-EZH1 containing phosphorylated SUZ12 | | Descriptor: | Histone-lysine N-methyltransferase EZH1, Polycomb protein EED, Polycomb protein SUZ12, ... | | Authors: | Gong, L, Jiao, L, Liu, X. | | Deposit date: | 2021-12-30 | | Release date: | 2022-11-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.994 Å) | | Cite: | CK2-mediated phosphorylation of SUZ12 promotes PRC2 function by stabilizing enzyme active site.
Nat Commun, 13, 2022
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5J1W
 | | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14) | | Descriptor: | Dual specificity protein kinase CLK1, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-03-29 | | Release date: | 2016-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
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5TBJ
 | | Crystal structure of mouse CARM1 in complex with inhibitor LH1452 | | Descriptor: | 1,2-DIMETHOXYETHANE, 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ... | | Authors: | Cura, V, Marechal, N, Troffer-Charlier, N, Halby, L, Arimondo, P, Bonnefond, L, Cavarelli, J. | | Deposit date: | 2016-09-12 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.32 Å) | | Cite: | Hijacking DNA methyltransferase transition state analogues to produce chemical scaffolds for PRMT inhibitors.
Philos.Trans.R.Soc.Lond.B Biol.Sci., 373, 2018
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8P0S
 | | Crystal structure HR1 domain of Rho-associated coiled-coil protein kinases (ROCK-HR1) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Rho-associated protein kinase 1 | | Authors: | Dubey, B.N, Dvorsky, R, Gremer, L, Vetter, I.R, Schmitt, L, Groth, G, Ahmadian, M.R. | | Deposit date: | 2023-05-10 | | Release date: | 2023-06-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and functional insights into the p160 Rho-associated coiled-coil-containing protein kinase
To Be Published
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7ABU
 | | Structure of SARS-CoV-2 Main Protease bound to RS102895 | | Descriptor: | 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one, 3C-like proteinase, DIMETHYL SULFOXIDE, ... | | Authors: | Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Paulraj, L.X, Ullah, N, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Doyle, J.J, Giseler, H, Melo, D, Lane, T.J, Dunkel, I, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A. | | Deposit date: | 2020-09-08 | | Release date: | 2020-12-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
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1AMH
 | | UNCOMPLEXED RAT TRYPSIN MUTANT WITH ASP 189 REPLACED WITH SER (D189S) | | Descriptor: | ANIONIC TRYPSIN, CALCIUM ION | | Authors: | Szabo, E, Bocskei, Z.S, Naray-Szabo, G, Graf, L. | | Deposit date: | 1997-06-17 | | Release date: | 1997-12-24 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The three-dimensional structure of Asp189Ser trypsin provides evidence for an inherent structural plasticity of the protease.
Eur.J.Biochem., 263, 1999
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5J1V
 | | Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13) | | Descriptor: | Dual specificity protein kinase CLK1, GLYCEROL, pyrido[3,4-g]quinazoline-2,10-diamine | | Authors: | Chaikuad, A, Esvan, Y.J, Zeinyeh, W, Boibessot, T, Nauton, L, Thery, V, Loaec, N, Meijer, L, Giraud, F, Moreau, P, Anizon, F, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-03-29 | | Release date: | 2016-05-04 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Discovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Eur.J.Med.Chem., 118, 2016
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7OTS
 | | Crystal structure of human Monoacylglycerol Lipase ABHD6 in complex with oleic acid and octyl glucoside | | Descriptor: | GLYCEROL, Monoacylglycerol lipase ABHD6, OLEIC ACID, ... | | Authors: | Nawrotek, A, Talagas, A, Vuillard, L, Miallau, L. | | Deposit date: | 2021-06-10 | | Release date: | 2021-06-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.792 Å) | | Cite: | Crystal structure of human Monoacylglycerol Lipase ABHD6 in complex with oleic acid and octyl glucoside
To Be Published
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6JFH
 | | The asymmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex | | Descriptor: | FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural E protein, ... | | Authors: | Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q. | | Deposit date: | 2019-02-08 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (20 Å) | | Cite: | Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
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3OF0
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4WUM
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4WXM
 | | FleQ REC domain from Pseudomonas aeruginosa PAO1 | | Descriptor: | Transcriptional regulator FleQ | | Authors: | Su, T, Liu, S, Gu, L. | | Deposit date: | 2014-11-14 | | Release date: | 2015-09-23 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The REC domain mediated dimerization is critical for FleQ from Pseudomonas aeruginosa to function as a c-di-GMP receptor and flagella gene regulator
J.Struct.Biol., 192, 2015
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1SH6
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6OSO
 | | The crystal structure of the isolate tryptophan synthase alpha-chain from Salmonella enterica serovar typhimurium at 1.75 Angstrom resolution | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, SULFATE ION, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L, Chang, C, Fan, L. | | Deposit date: | 2019-05-01 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Backbone assignments and conformational dynamics in the S. typhimurium tryptophan synthase alpha-subunit from solution-state NMR.
J.Biomol.Nmr, 74, 2020
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6OUY
 | | The crystal structure of the isolate tryptophan synthase alpha-chain from Salmonella enterica serovar typhimurium at 1.60 Angstrom resolution | | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, SULFATE ION, ... | | Authors: | Hilario, E, Dunn, M.F, Mueller, L, Chang, C, Fan, L. | | Deposit date: | 2019-05-06 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Backbone assignments and conformational dynamics in the S. typhimurium tryptophan synthase alpha-subunit from solution-state NMR.
J.Biomol.Nmr, 74, 2020
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