6HN7
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![BU of 6hn7 by Molmil](/molmil-images/mine/6hn7) | Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit. | Descriptor: | Redirecting phage packaging protein C (RppC), Terminase small subunit | Authors: | Penades, J.R, Bacarizo, J, Marina, A, Alqasmi, M, Fillol-Salom, A, Roszak, A.W, Ciges-Tomas, J.R. | Deposit date: | 2018-09-14 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Hijacking the Hijackers: Escherichia coli Pathogenicity Islands Redirect Helper Phage Packaging for Their Own Benefit. Mol.Cell, 75, 2019
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4NRB
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![BU of 4nrb by Molmil](/molmil-images/mine/4nrb) | Crystal Structure of the bromodomain of human BAZ2B in complex with compound-1 N01197 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide | Authors: | Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-11-26 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain. J.Med.Chem., 56, 2013
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3X1W
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![BU of 3x1w by Molmil](/molmil-images/mine/3x1w) | Ras-related protein Rap1B with GDP | Descriptor: | CADMIUM ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Noguchi, H, Ikegami, T, Akashi, S, Park, S.Y, Tame, J.R.H, Unzai, S. | Deposit date: | 2014-12-02 | Release date: | 2015-06-03 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The structure and conformational switching of Rap1B Biochem.Biophys.Res.Commun., 462, 2015
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3X1X
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![BU of 3x1x by Molmil](/molmil-images/mine/3x1x) | Ras-related protein Rap1B with GppNHp | Descriptor: | CADMIUM ION, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Noguchi, H, Ikegami, T, Park, S.Y, Tame, J.R.H, Unzai, S. | Deposit date: | 2014-12-02 | Release date: | 2015-06-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | The structure and conformational switching of Rap1B Biochem.Biophys.Res.Commun., 462, 2015
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3X1Y
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![BU of 3x1y by Molmil](/molmil-images/mine/3x1y) | Ras-related protein Rap1B(L9V) with GppNHp | Descriptor: | CADMIUM ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Noguchi, H, Ikegami, T, Park, S.Y, Tame, J.R.H, Unzai, S. | Deposit date: | 2014-12-02 | Release date: | 2015-06-03 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.168 Å) | Cite: | The structure and conformational switching of Rap1B Biochem.Biophys.Res.Commun., 462, 2015
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4NRC
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![BU of 4nrc by Molmil](/molmil-images/mine/4nrc) | Crystal Structure of the bromodomain of human BAZ2B in complex with compound-3 N01186 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide, ... | Authors: | Muniz, J.R.C, Felletar, I, Chaikuad, A, Filippakopoulos, P, Ferguson, F.M, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Ciulli, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-11-26 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain. J.Med.Chem., 56, 2013
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1IV4
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![BU of 1iv4 by Molmil](/molmil-images/mine/1iv4) | Structure of 2C-Methyl-D-erythritol-2,4-cyclodiphosphate Synthase (bound form Substrate) | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION | Authors: | Kishida, H, Wada, T, Unzai, S, Kuzuyama, T, Terada, T, Sirouzu, M, Yokoyama, S, Tame, J.R.H, Park, S.-Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-03-11 | Release date: | 2002-09-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure and catalytic mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate (MECDP) synthase, an enzyme in the non-mevalonate pathway of isoprenoid synthesis. Acta Crystallogr.,Sect.D, 59, 2003
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1UEK
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![BU of 1uek by Molmil](/molmil-images/mine/1uek) | Crystal structure of 4-(cytidine 5'-diphospho)-2C-methyl-D-erythritol kinase | Descriptor: | 4-(cytidine 5'-diphospho)-2C-methyl-D-erythritol kinase | Authors: | Wada, T, Kuramitsu, S, Yokoyama, S, Tame, J.R.H, Park, S.Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2003-05-17 | Release date: | 2003-06-17 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of 4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol kinase, an Enzyme in the Non-mevalonate Pathway of Isoprenoid Synthesis. J.Biol.Chem., 278, 2003
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1IV1
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![BU of 1iv1 by Molmil](/molmil-images/mine/1iv1) | Structure of 2C-Methyl-D-erythritol-2,4-cyclodiphosphate Synthase | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase | Authors: | Kishida, H, Wada, T, Unzai, S, Kuzuyama, T, Terada, T, Sirouzu, M, Yokoyama, S, Tame, J.R.H, Park, S.-Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-03-11 | Release date: | 2002-09-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structure and catalytic mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate (MECDP) synthase, an enzyme in the non-mevalonate pathway of isoprenoid synthesis. Acta Crystallogr.,Sect.D, 59, 2003
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5CNA
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![BU of 5cna by Molmil](/molmil-images/mine/5cna) | REFINED STRUCTURE OF CONCANAVALIN A COMPLEXED WITH ALPHA-METHYL-D-MANNOPYRANOSIDE AT 2.0 ANGSTROMS RESOLUTION AND COMPARISON WITH THE SACCHARIDE-FREE STRUCTURE | Descriptor: | CALCIUM ION, CHLORIDE ION, CONCANAVALIN A, ... | Authors: | Naismith, J.H, Emmerich, C, Habash, J, Harrop, S.J, Helliwell, J.R, Hunter, W.N, Raftery, J, Kalb(Gilboa), A.J, Yariv, J. | Deposit date: | 1994-02-11 | Release date: | 1994-05-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Refined structure of concanavalin A complexed with methyl alpha-D-mannopyranoside at 2.0 A resolution and comparison with the saccharide-free structure. Acta Crystallogr.,Sect.D, 50, 1994
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1IV3
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![BU of 1iv3 by Molmil](/molmil-images/mine/1iv3) | Structure of 2C-Methyl-D-erythritol-2,4-cyclodiphosphate Synthase (bound form MG atoms) | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, MAGNESIUM ION | Authors: | Kishida, H, Wada, T, Unzai, S, Kuzuyama, T, Terada, T, Sirouzu, M, Yokoyama, S, Tame, J.R.H, Park, S.-Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-03-11 | Release date: | 2002-09-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Structure and catalytic mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate (MECDP) synthase, an enzyme in the non-mevalonate pathway of isoprenoid synthesis. Acta Crystallogr.,Sect.D, 59, 2003
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1IV2
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![BU of 1iv2 by Molmil](/molmil-images/mine/1iv2) | Structure of 2C-Methyl-D-erythritol-2,4-cyclodiphosphate Synthase (bound form CDP) | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Kishida, H, Wada, T, Unzai, S, Kuzuyama, T, Terada, T, Sirouzu, M, Yokoyama, S, Tame, J.R.H, Park, S.-Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-03-11 | Release date: | 2002-09-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure and catalytic mechanism of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate (MECDP) synthase, an enzyme in the non-mevalonate pathway of isoprenoid synthesis. Acta Crystallogr.,Sect.D, 59, 2003
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5OV3
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![BU of 5ov3 by Molmil](/molmil-images/mine/5ov3) | Structure of the RbBP5 beta-propeller domain | Descriptor: | Retinoblastoma-binding protein 5, TETRAETHYLENE GLYCOL, TRIETHYLENE GLYCOL | Authors: | Mittal, A, Zhang, Y, Gamblin, S.J, Wilson, J.R. | Deposit date: | 2017-08-27 | Release date: | 2018-03-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The structure of the RbBP5 beta-propeller domain reveals a surface with potential nucleic acid binding sites. Nucleic Acids Res., 46, 2018
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5O97
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![BU of 5o97 by Molmil](/molmil-images/mine/5o97) | |
6PET
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![BU of 6pet by Molmil](/molmil-images/mine/6pet) | Crystal structure of 8-hydroxychromene compound 30 bound to estrogen receptor alpha | Descriptor: | (2S)-2-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H-1-benzopyran-8-ol, (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, CHLORIDE ION, ... | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Wang, X, Zbieg, J, Labadie, S.S, Zhang, B, Li, J, Liang, W. | Deposit date: | 2019-06-20 | Release date: | 2019-07-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.203 Å) | Cite: | Discovery of a C-8 hydroxychromene as a potent degrader of estrogen receptor alpha with improved rat oral exposure over GDC-0927. Bioorg.Med.Chem.Lett., 29, 2019
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6XLQ
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![BU of 6xlq by Molmil](/molmil-images/mine/6xlq) | Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the CTX-2026 Fab | Descriptor: | Butyrophilin subfamily 3 member A1, CTX-2026 Heavy Chain, CTX-2026 Light Chain | Authors: | Payne, K.K, Mine, J.A, Biswas, S, Chaurio, R.A, Perales-Puchalt, A, Anadon, C.M, Costich, T.L, Harro, C.M, Walrath, J, Ming, Q, Tcyganov, E, Buras, A.L, Rigolizzo, K.E, Mandal, G, Lajoie, J, Ophir, M, Tchou, J, Marchion, D, Luca, V.C, Bobrowicz, P, McLaughlin, B, Eskiocak, U, Schmidt, M, Cubillos-Ruiz, J.R, Rodriguez, P.C, Gabrilovich, D.I, Conejo-Garcia, J.R. | Deposit date: | 2020-06-29 | Release date: | 2020-09-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | BTN3A1 governs antitumor responses by coordinating alpha beta and gamma delta T cells. Science, 369, 2020
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1HFP
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![BU of 1hfp by Molmil](/molmil-images/mine/1hfp) | COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE | Descriptor: | DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A. | Deposit date: | 1997-11-04 | Release date: | 1998-01-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine. Anti-Cancer Drug Des., 13, 1998
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1HFQ
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![BU of 1hfq by Molmil](/molmil-images/mine/1hfq) | COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE | Descriptor: | DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A. | Deposit date: | 1997-11-04 | Release date: | 1998-01-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine. Anti-Cancer Drug Des., 13, 1998
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1HFR
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![BU of 1hfr by Molmil](/molmil-images/mine/1hfr) | COMPARISON OF TERNARY CRYSTAL COMPLEXES OF HUMAN DIHYDROFOLATE REDUCTASE WITH NADPH AND A CLASSICAL ANTITUMOR FUROPYRIMDINE | Descriptor: | DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A. | Deposit date: | 1997-11-04 | Release date: | 1998-01-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Comparison of ternary crystal complexes of F31 variants of human dihydrofolate reductase with NADPH and a classical antitumor furopyrimidine. Anti-Cancer Drug Des., 13, 1998
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3U23
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![BU of 3u23 by Molmil](/molmil-images/mine/3u23) | Atomic resolution crystal structure of the 2nd SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide from human RIN3 | Descriptor: | 1,2-ETHANEDIOL, CD2-associated protein, Ras and Rab interactor 3 | Authors: | Simister, P.C, Rouka, E, Janning, M, Muniz, J.R.C, Kirsch, K.H, Knapp, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Krojer, T, Edwards, A.M, Weigelt, J, Bountra, C, Feller, S.M, Structural Genomics Consortium (SGC) | Deposit date: | 2011-09-30 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3). J.Biol.Chem., 290, 2015
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4X55
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![BU of 4x55 by Molmil](/molmil-images/mine/4x55) | Structure of the class D Beta-Lactamase OXA-225 K82D in Acyl-Enzyme Complex with Ceftazidime | Descriptor: | 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase OXA-225 | Authors: | Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A. | Deposit date: | 2014-12-04 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.941 Å) | Cite: | Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii. Biochemistry, 54, 2015
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4X53
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![BU of 4x53 by Molmil](/molmil-images/mine/4x53) | Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with Aztreonam | Descriptor: | 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid, BICARBONATE ION, Class D beta-lactamase OXA-160 | Authors: | Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A. | Deposit date: | 2014-12-04 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii. Biochemistry, 54, 2015
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4X56
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![BU of 4x56 by Molmil](/molmil-images/mine/4x56) | Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with Ceftazidime | Descriptor: | ACYLATED CEFTAZIDIME, Class D beta-lactamase OXA-160 | Authors: | Clasman, J.R, June, C.M, Powers, R.A, Leonard, D.A. | Deposit date: | 2014-12-04 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural Basis of Activity against Aztreonam and Extended Spectrum Cephalosporins for Two Carbapenem-Hydrolyzing Class D beta-Lactamases from Acinetobacter baumannii. Biochemistry, 54, 2015
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3ME6
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![BU of 3me6 by Molmil](/molmil-images/mine/3me6) | Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug clopidogrel | Descriptor: | Clopidogrel, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Gay, S.C, Roberts, A.G, Maekawa, K, Talakad, J.C, Hong, W.X, Zhang, Q, Stout, C.D, Halpert, J.R. | Deposit date: | 2010-03-31 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel. Biochemistry, 49, 2010
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1XO1
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![BU of 1xo1 by Molmil](/molmil-images/mine/1xo1) | T5 5'-EXONUCLEASE MUTANT K83A | Descriptor: | 5'-EXONUCLEASE | Authors: | Ceska, T.A, Suck, D, Sayers, J.R. | Deposit date: | 1998-11-19 | Release date: | 1999-04-02 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mutagenesis of conserved lysine residues in bacteriophage T5 5'-3' exonuclease suggests separate mechanisms of endo-and exonucleolytic cleavage. Proc.Natl.Acad.Sci.USA, 96, 1999
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