1ERM
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![BU of 1erm by Molmil](/molmil-images/mine/1erm) | X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHANE BORONIC ACID | Descriptor: | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID, TEM-1 BETA-LACTAMASE | Authors: | Ness, S, Martin, R, Kindler, A.M, Paetzel, M, Gold, M, Jones, J.B, Strynadka, N.C.J. | Deposit date: | 2000-04-06 | Release date: | 2000-05-10 | Last modified: | 2012-06-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design guides the improved efficacy of deacylation transition state analogue inhibitors of TEM-1 beta-Lactamase(,). Biochemistry, 39, 2000
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1ERQ
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![BU of 1erq by Molmil](/molmil-images/mine/1erq) | X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID | Descriptor: | 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID, TEM-1 BETA-LACTAMASE | Authors: | Ness, S, Martin, R, Kindler, A.M, Paetzel, M, Gold, M, Jones, J.B, Strynadka, N.C.J. | Deposit date: | 2000-04-06 | Release date: | 2000-05-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based design guides the improved efficacy of deacylation transition state analogue inhibitors of TEM-1 beta-Lactamase(,). Biochemistry, 39, 2000
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1ERO
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![BU of 1ero by Molmil](/molmil-images/mine/1ero) | X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | Descriptor: | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID, TEM-1 BETA-LACTAMASE | Authors: | Ness, S, Martin, R, Kindler, A.M, Paetzel, M, Gold, M, Jones, J.B, Strynadka, N.C.J. | Deposit date: | 2000-04-06 | Release date: | 2000-05-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design guides the improved efficacy of deacylation transition state analogue inhibitors of TEM-1 beta-Lactamase(,). Biochemistry, 39, 2000
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6G4J
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![BU of 6g4j by Molmil](/molmil-images/mine/6g4j) | |
8RWU
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![BU of 8rwu by Molmil](/molmil-images/mine/8rwu) | |
8RXA
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![BU of 8rxa by Molmil](/molmil-images/mine/8rxa) | |
8RXO
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![BU of 8rxo by Molmil](/molmil-images/mine/8rxo) | |
6HU8
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![BU of 6hu8 by Molmil](/molmil-images/mine/6hu8) | |
6HUA
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![BU of 6hua by Molmil](/molmil-images/mine/6hua) | the competence regulator ComR from Streptococcus vestibularis in complex with its cognate signaling peptide XIP | Descriptor: | Uncharacterized protein, XIP signaling peptide | Authors: | Nessler, S, Thuillier, J, Ledesma, L, Hols, P. | Deposit date: | 2018-10-05 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.389 Å) | Cite: | Molecular dissection of pheromone selectivity in the competence signaling system ComRS of streptococci. Proc.Natl.Acad.Sci.USA, 117, 2020
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3OJO
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![BU of 3ojo by Molmil](/molmil-images/mine/3ojo) | Derivative structure of the UDP-N-acetyl-mannosamine dehydrogenase Cap5O from S. aureus | Descriptor: | Cap5O, EUROPIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Nessler, S, Gruszczyk, J, Olivares-Illana, V, Meyer, P, Morera, S. | Deposit date: | 2010-08-23 | Release date: | 2011-03-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure Analysis of the Staphylococcus aureus UDP-N-acetyl-mannosamine Dehydrogenase Cap5O Involved in Capsular Polysaccharide Biosynthesis. J.Biol.Chem., 286, 2011
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1YM4
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![BU of 1ym4 by Molmil](/molmil-images/mine/1ym4) | Crystal structure of human beta secretase complexed with NVP-AMK640 | Descriptor: | Beta-secretase 1, NVP-AMK640 INHIBITOR | Authors: | Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S. | Deposit date: | 2005-01-20 | Release date: | 2006-01-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics J.Med.Chem., 48, 2005
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1YM2
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![BU of 1ym2 by Molmil](/molmil-images/mine/1ym2) | Crystal structure of human beta secretase complexed with NVP-AUR200 | Descriptor: | Beta-secretase 1, NVP-AUR200 INHIBITOR | Authors: | Hanessian, S, Yun, H, Hou, Y, Yang, G, Bayrakdarian, M, Therrien, E, Moitessier, N, Roggo, S, Veenstra, S. | Deposit date: | 2005-01-20 | Release date: | 2006-01-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics J.Med.Chem., 48, 2005
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3OJL
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![BU of 3ojl by Molmil](/molmil-images/mine/3ojl) | Native structure of the UDP-N-acetyl-mannosamine dehydrogenase Cap5O from Staphylococcus aureus | Descriptor: | Cap5O, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Nessler, S, Gruszczyk, J, Olivares-Illana, V, Meyer, P, Morera, S, Grangeasse, C, Fleurie, A. | Deposit date: | 2010-08-23 | Release date: | 2011-03-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure Analysis of the Staphylococcus aureus UDP-N-acetyl-mannosamine Dehydrogenase Cap5O Involved in Capsular Polysaccharide Biosynthesis. J.Biol.Chem., 286, 2011
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1QF5
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![BU of 1qf5 by Molmil](/molmil-images/mine/1qf5) | DESIGN, SYNTHESIS, AND X-RAY CRYSTAL STRUCTURE OF AN ENZYME BOUND BISUBSTRATE HYBRID INHIBITOR OF ADENYLOSUCCINATE SYNTHETASE | Descriptor: | (C8-S)-HYDANTOCIDIN 5'-PHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Hanessian, S, Lu, P.-P, Sanceau, J.-Y, Chemla, P, Prade, L, Gohda, K, Cowan-Jacob, S.W, Fonne-Pfister, R. | Deposit date: | 1999-04-06 | Release date: | 1999-12-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An enzyme-bound bisubstrate hybrid inhibitor of adenylosuccinate synthetase Angew.Chem.Int.Ed.Engl., 38, 1999
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1QF4
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![BU of 1qf4 by Molmil](/molmil-images/mine/1qf4) | DESIGN, SYNTHESIS, AND X-RAY CRYSTAL STRUCTURE OF AN ENZYME BOUND BISUBSTRATE HYBRID INHIBITOR OF ADENYLOSUCCINATE SYNTHETASE | Descriptor: | (C8-R)-HYDANTOCIDIN 5'-PHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Hanessian, S, Lu, P.-P, Sanceau, J.-Y, Chemla, P, Gohda, K, Fonne-Pfister, R, Prade, L, Cowan-Jacob, S.W. | Deposit date: | 1999-04-06 | Release date: | 1999-12-02 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An enzyme-bound bisubstrate hybrid inhibitor of adenylosuccinate synthetase Angew.Chem.Int.Ed.Engl., 38, 1999
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4PDQ
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![BU of 4pdq by Molmil](/molmil-images/mine/4pdq) | Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neomycin analog | Descriptor: | (2S)-4-amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy }-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide, MAGNESIUM ION, RNA (5'-*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C-3') | Authors: | Hanessian, S, Saavedra, O.M, Vilchis-Reyes, M.A, Maianti, J.P, Kanazawa, H, Dozzo, P, Feeney, L.A, Armstrong, E.S, Kondo, J. | Deposit date: | 2014-04-21 | Release date: | 2015-01-07 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis, broad spectrum antibacterial activity, and X-ray co-crystal structure of the decoding bacterial ribosomal A-site with 4'-deoxy-4'-fluoro neomycin analogs Chem Sci, 5, 2014
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1RIW
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![BU of 1riw by Molmil](/molmil-images/mine/1riw) | Thrombin in complex with natural product inhibitor Oscillarin | Descriptor: | (2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-6-HYDROXY-1-{N-[(2S)-2-HYDROXY-3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hirudin IIB, ... | Authors: | Hanessian, S, Tremblay, M, Petersen, J.F.W. | Deposit date: | 2003-11-18 | Release date: | 2004-11-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | The N-acyloxyiminium ion aza-Prins route to octahydroindoles: total synthesis and structural confirmation of the antithrombotic marine natural product oscillarin J.Am.Chem.Soc., 126, 2004
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6JBF
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![BU of 6jbf by Molmil](/molmil-images/mine/6jbf) | Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neamine analog (axial 4'-F) | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | Authors: | Kanazawa, H, Auffinger, P, Hanessian, S, Kondo, J. | Deposit date: | 2019-01-25 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neamine analog (axial 4'-F) To Be Published
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6JBG
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![BU of 6jbg by Molmil](/molmil-images/mine/6jbg) | Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neamine analog (equatorial 4'-F) | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucopyranoside, RNA (5'-R(*UP*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3'), RNA (5'-R(P*UP*GP*CP*GP*UP*CP*AP*CP*GP*CP*CP*GP*GP*CP*GP*AP*AP*GP*UP*CP*GP*C)-3') | Authors: | Kanazawa, H, Auffinger, P, Hanessian, S, Kondo, J. | Deposit date: | 2019-01-25 | Release date: | 2020-01-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of the bacterial ribosomal decoding site in complex with 4'-deoxy-4'-fluoro neamine analog (axial 4'-F) To Be Published
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6NIY
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![BU of 6niy by Molmil](/molmil-images/mine/6niy) | A high-resolution cryo-electron microscopy structure of a calcitonin receptor-heterotrimeric Gs protein complex | Descriptor: | Calcitonin, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | dal Maso, E, Glukhova, A, Zhu, Y, Garcia-Nafria, J, Tate, C.G, Atanasio, S, Reynolds, C.A, Ramirez-Aportela, E, Carazo, J.-M, Hick, C.A, Furness, S.G.B, Hay, D.L, Liang, Y.-L, Miller, L.J, Christopoulos, A, Wang, M.-W, Wootten, D, Sexton, P.M. | Deposit date: | 2019-01-02 | Release date: | 2019-01-23 | Last modified: | 2020-04-08 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | The Molecular Control of Calcitonin Receptor Signaling. Acs Pharmacol Transl Sci, 2, 2019
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5DBK
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6QER
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6D9H
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![BU of 6d9h by Molmil](/molmil-images/mine/6d9h) | Cryo-EM structure of the human adenosine A1 receptor-Gi2-protein complex bound to its endogenous agonist | Descriptor: | ADENOSINE, Chimera protein of Muscarinic acetylcholine receptor M4 and Adenosine receptor A1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Draper-Joyce, C.J, Khoshouei, M, Thal, D.M, Liang, Y.-L, Nguyen, A.T.N, Furness, S.G.B, Venugopal, H, Baltos, J, Plitzko, J.M, Danev, R, Baumeister, W, May, L.T, Wootten, D, Sexton, P, Glukhova, A, Christopoulos, A. | Deposit date: | 2018-04-29 | Release date: | 2018-06-20 | Last modified: | 2018-07-11 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structure of the adenosine-bound human adenosine A1receptor-Gicomplex. Nature, 558, 2018
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3BFV
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![BU of 3bfv by Molmil](/molmil-images/mine/3bfv) | crystal structure of the chimerical protein CapAB | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Membrane protein CapA1, ... | Authors: | Olivares-Illana, V, Meyer, P, Morera, S, Nessler, S. | Deposit date: | 2007-11-23 | Release date: | 2008-06-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for the Regulation Mechanism of the Tyrosine Kinase CapB from Staphylococcus aureus. Plos Biol., 6, 2008
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5JUF
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![BU of 5juf by Molmil](/molmil-images/mine/5juf) | Crystal structure of the apo form of ComR from S. thermophilus. | Descriptor: | SULFATE ION, Transcriptional regulator | Authors: | Talagas, A, Fontaine, L, Ledesma, L, Li de la Sierra-Gallay, I, Hols, P, Nessler, S. | Deposit date: | 2016-05-10 | Release date: | 2016-10-26 | Last modified: | 2016-12-14 | Method: | X-RAY DIFFRACTION (1.946 Å) | Cite: | Structural Insights into Streptococcal Competence Regulation by the Cell-to-Cell Communication System ComRS. PLoS Pathog., 12, 2016
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