1HLK
| METALLO-BETA-LACTAMASE FROM BACTEROIDES FRAGILIS IN COMPLEX WITH A TRICYCLIC INHIBITOR | Descriptor: | 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, BETA-LACTAMASE, TYPE II, ... | Authors: | Payne, D.J, Hueso-Rodriguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Chever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Diez, E, Perez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A. | Deposit date: | 2000-12-01 | Release date: | 2001-11-30 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of a series of tricyclic natural products as potent broad spectrum inhibitors of metallo-beta-lactamases Antimicrob.Agents Chemother., 46, 2002
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1KR3
| Crystal Structure of the Metallo beta-Lactamase from Bacteroides fragilis (CfiA) in Complex with the Tricyclic Inhibitor SB-236050. | Descriptor: | 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, SODIUM ION, ZINC ION, ... | Authors: | Payne, D.J, Hueso-Rodrguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Cheever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Dez, E, Prez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A. | Deposit date: | 2002-01-08 | Release date: | 2003-01-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of a series of tricyclic natural products as potent broad-spectrum inhibitors of metallo-beta-lactamases ANTIMICROB.AGENTS CHEMOTHER., 46, 2002
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8W0S
| Human EBP complexed with compound 3a | Descriptor: | 1-methyl-8-[(oxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Authors: | Sun, D, Masureel, M. | Deposit date: | 2024-02-14 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Discovery and Optimization of Selective Brain-Penetrant EBP Inhibitors that Enhance Oligodendrocyte Formation. J.Med.Chem., 67, 2024
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8W0R
| Human EBP complexed with compound 1 | Descriptor: | 1-methyl-1'-[(oxan-4-yl)methyl]-5-(trifluoromethyl)spiro[indole-2,4'-piperidin]-3(1H)-one, 3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase | Authors: | Sun, D, Masureel, M. | Deposit date: | 2024-02-14 | Release date: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Discovery and Optimization of Selective Brain-Penetrant EBP Inhibitors that Enhance Oligodendrocyte Formation. J.Med.Chem., 67, 2024
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7U8G
| Cryo-EM structure of the core human NADPH oxidase NOX2 | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 7G5 - heavy chain, ... | Authors: | Noreng, S, Ota, N, Sun, Y, Masureel, M, Payandeh, J, Yi, T, Koerber, J.T. | Deposit date: | 2022-03-08 | Release date: | 2022-10-26 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structure of the core human NADPH oxidase NOX2. Nat Commun, 13, 2022
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8CMZ
| Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A | Descriptor: | COENZYME A, ZINC ION, histone acetyltransferase | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | Deposit date: | 2023-02-21 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with Coenzyme A To Be Published
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8CN0
| Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A | Descriptor: | COENZYME A, ZINC ION, histone acetyltransferase | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | Deposit date: | 2023-02-21 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with Coenzyme A To Be Published
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8CNA
| Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA | Descriptor: | ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | Deposit date: | 2023-02-22 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.463 Å) | Cite: | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA To Be Published
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8CND
| Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA | Descriptor: | ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | Deposit date: | 2023-02-22 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.972 Å) | Cite: | Crystal structure of CREBBP-Y1482N histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA To Be Published
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8CNB
| Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A | Descriptor: | COENZYME A, ZINC ION, histone acetyltransferase | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | Deposit date: | 2023-02-22 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.986 Å) | Cite: | Crystal structure of CREBBP-Y1503C histone acetyltransferase domain in complex with Coenzyme A To Be Published
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8OG2
| Crystal structure of CREBBP histone acetyltransferase domain in complex with Coenzyme A | Descriptor: | COENZYME A, SODIUM ION, SULFATE ION, ... | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | Deposit date: | 2023-03-17 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Crystal structure of CREBBP histone acetyltransferase domain in complex with Coenzyme A To Be Published
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8PQ4
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6T1Z
| LmrP from L. lactis, in an outward-open conformation, bound to Hoechst 33342 | Descriptor: | 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE, 2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DODECYL-ALPHA-D-MALTOSIDE, ... | Authors: | Hutchin, A, Debruycker, V, Masureel, M, Legrand, P, Remaut, H, Govaerts, C. | Deposit date: | 2019-10-07 | Release date: | 2020-07-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | An embedded lipid in the multidrug transporter LmrP suggests a mechanism for polyspecificity. Nat.Struct.Mol.Biol., 27, 2020
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3KQ5
| Crystal structure of an uncharacterized protein from Coxiella burnetii | Descriptor: | Hypothetical cytosolic protein | Authors: | Bonanno, J.B, Freeman, M, Bain, K.T, Chang, S, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-11-17 | Release date: | 2009-12-08 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of an uncharacterized protein from Coxiella burnetii To be Published
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2N70
| Two-fold symmetric structure of the 18-60 construct of S31N M2 from Influenza A in lipid bilayers | Descriptor: | Matrix protein 2 | Authors: | Andreas, L.B, Reese, M, Eddy, M.T, Gelev, V, Ni, Q, Miller, E.A, Emsley, L, Pintacuda, G, Chou, J.J, Griffin, R.G. | Deposit date: | 2015-09-01 | Release date: | 2015-09-23 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | Structure and Mechanism of the Influenza A M218-60 Dimer of Dimers. J.Am.Chem.Soc., 137, 2015
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2PQ0
| Crystal structure of Hyopthetical protein (gk_1056) from geobacillus Kaustophilus HTA426 | Descriptor: | Hypothetical conserved protein GK1056 | Authors: | Kanaujia, S.P, Jeyakanthan, J, Kavyashree, M, Sekar, K, Agari, Y, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-05-01 | Release date: | 2008-05-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of Hyopthetical protein (gk_1056) from geobacillus Kaustophilus HTA426 To be Published
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2PPY
| Crystal structure of Enoyl-CoA hydrates (gk_1992) from Geobacillus Kaustophilus HTA426 | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Enoyl-CoA hydratase | Authors: | Kanaujia, S.P, Jeyakanthan, J, Kavyashree, M, Sekar, K, Ebihara, A, Kuramitsu, S, Shinkai, A, Shiro, Y, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-05-01 | Release date: | 2008-05-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Crystal structure of Enoyl-CoA hydrates (gk_1992) from Geobacillus Kaustophilus HTA426 To be Published
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1Z4U
| hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00799585 | Descriptor: | (2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Pfefferkorn, J.A, Greene, M, Nugent, R, Gross, R.J, Mitchell, M.A, Finzel, B.C, Harris, M.S, Wells, P.A, Shelly, J.A, Anstadt, R. | Deposit date: | 2005-03-16 | Release date: | 2005-06-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inhibitors of HCV NS5B polymerase. Part 2: Evaluation of the northern region of (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid Bioorg.Med.Chem.Lett., 15, 2005
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3ZOT
| Structure of E.coli rhomboid protease GlpG in complex with monobactam L29 (data set 2) | Descriptor: | CHLORIDE ION, RHOMBOID PROTEASE GLPG, nonyl beta-D-glucopyranoside, ... | Authors: | Vinothkumar, K.R, Pierrat, O.A, Large, J.M, Freeman, M. | Deposit date: | 2013-02-24 | Release date: | 2013-05-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.399 Å) | Cite: | Structure of Rhomboid Protease in Complex with Beta-Lactam Inhibitors Defines the S2' Cavity. Structure, 21, 2013
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3ZMH
| Structure of E.coli rhomboid protease GlpG in complex with monobactam L62 | Descriptor: | CHLORIDE ION, CYCLOPENTYL 2-OXO-4-PHENYLAZETIDINE-1-CARBOXYLATE, RHOMBOID PROTEASE GLPG, ... | Authors: | Vinothkumar, K.R, Pierrat, O.A, Large, J.M, Freeman, M. | Deposit date: | 2013-02-11 | Release date: | 2013-05-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of rhomboid protease in complex with beta-lactam inhibitors defines the S2' cavity. Structure, 21, 2013
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3ZMJ
| Structure of E.coli rhomboid protease GlpG in complex with monobactam L61 | Descriptor: | 2-methylpropyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate, CHLORIDE ION, RHOMBOID PROTEASE GLPG, ... | Authors: | Vinothkumar, K.R, Pierrat, O, Large, J.M, Freeman, M. | Deposit date: | 2013-02-11 | Release date: | 2013-05-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of Rhomboid Protease in Complex with Beta-Lactam Inhibitors Defines the S2' Cavity. Structure, 21, 2013
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3ZMI
| Structure of E.coli rhomboid protease GlpG in complex with monobactam L29 | Descriptor: | RHOMBOID PROTEASE GLPG, nonyl beta-D-glucopyranoside, phenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate | Authors: | Vinothkumar, K.R, Pierrat, O.A, Large, J.M, Freeman, M. | Deposit date: | 2013-02-11 | Release date: | 2013-05-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure of Rhomboid Protease in Complex with Beta-Lactam Inhibitors Defines the S2' Cavity. Structure, 21, 2013
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2XOW
| Structure of GlpG in complex with a mechanism-based isocoumarin inhibitor | Descriptor: | 5-AMINO-2-(2-METHOXY-2-OXOETHYL)BENZOIC ACID, RHOMBOID PROTEASE GLPG, nonyl beta-D-glucopyranoside | Authors: | Vinothkumar, K.R, Strisovsky, K, Andreeva, A, Christova, Y, Verhelst, S, Freeman, M. | Deposit date: | 2010-08-24 | Release date: | 2010-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | The Structural Basis for Catalysis and Substrate Specificity of a Rhomboid Protease Embo J., 29, 2010
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2XOV
| Crystal Structure of E.coli rhomboid protease GlpG, native enzyme | Descriptor: | GLYCEROL, RHOMBOID PROTEASE GLPG, nonyl beta-D-glucopyranoside | Authors: | Vinothkumar, K.R, Strisovsky, K, Andreeva, A, Christova, Y, Verhelst, S, Freeman, M. | Deposit date: | 2010-08-24 | Release date: | 2010-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The structural basis for catalysis and substrate specificity of a rhomboid protease. EMBO J., 29, 2010
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6ZTJ
| E. coli 70S-RNAP expressome complex in NusG-coupled state (38 nt intervening mRNA) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ... | Authors: | Webster, M.W, Takacs, M, Weixlbaumer, A. | Deposit date: | 2020-07-20 | Release date: | 2020-09-16 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of transcription-translation coupling and collision in bacteria. Science, 369, 2020
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