8CUO
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![BU of 8cuo by Molmil](/molmil-images/mine/8cuo) | X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6e | Descriptor: | 3-({[(1R)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | Deposit date: | 2022-05-17 | Release date: | 2023-04-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii . Antibiotics, 12, 2023
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8CUP
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![BU of 8cup by Molmil](/molmil-images/mine/8cup) | X-ray crystal structure of ADC-33 in complex with sulfonamidoboronic acid 6d | Descriptor: | 3-[(4S)-4-ethyl-5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl]benzoic acid, Beta-lactamase | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | Deposit date: | 2022-05-17 | Release date: | 2023-04-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii . Antibiotics, 12, 2023
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8CUM
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![BU of 8cum by Molmil](/molmil-images/mine/8cum) | X-ray crystal structure of OXA-24/40 in complex with sulfonamidoboronic acid 6d | Descriptor: | 3-({[(1S)-1-boronopropyl]sulfamoyl}methyl)benzoic acid, Beta-lactamase, SULFATE ION | Authors: | Fernando, M.C, Wallar, B.J, Powers, R.A. | Deposit date: | 2022-05-17 | Release date: | 2023-04-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Sulfonamidoboronic Acids as "Cross-Class" Inhibitors of an Expanded-Spectrum Class C Cephalosporinase, ADC-33, and a Class D Carbapenemase, OXA-24/40: Strategic Compound Design to Combat Resistance in Acinetobacter baumannii . Antibiotics, 12, 2023
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5TC3
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![BU of 5tc3 by Molmil](/molmil-images/mine/5tc3) | Structure of IMP dehydrogenase from Ashbya gossypii bound to ATP and GDP | Descriptor: | ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Fernandez-Justel, D, de Pereda, J.M, Revuelta, J.L, Buey, R.M. | Deposit date: | 2016-09-14 | Release date: | 2017-06-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.462 Å) | Cite: | A nucleotide-controlled conformational switch modulates the activity of eukaryotic IMP dehydrogenases. Sci Rep, 7, 2017
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2VQ9
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![BU of 2vq9 by Molmil](/molmil-images/mine/2vq9) | RNASE ZF-3E | Descriptor: | CHLORIDE ION, RNASE 1 | Authors: | Kazakou, K, Holloway, D.E, Prior, S.H, Subramanian, V, Acharya, K.R. | Deposit date: | 2008-03-12 | Release date: | 2008-06-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Ribonuclease A Homologues of the Zebrafish: Polymorphism, Crystal Structures of Two Representatives and Their Evolutionary Implications J.Mol.Biol., 380, 2008
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5VBK
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![BU of 5vbk by Molmil](/molmil-images/mine/5vbk) | |
2Y5Q
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![BU of 2y5q by Molmil](/molmil-images/mine/2y5q) | |
6ZVY
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![BU of 6zvy by Molmil](/molmil-images/mine/6zvy) | X-RAY STRUCTURE OF THE HALOALKANE DEHALOGENASE HALOTAG7-Q165H-P174R LABELED WITH A CHLOROALKANE-TETRAMETHYLRHODAMINE FLUOROPHORE SUBSTRATE | Descriptor: | CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ... | Authors: | Tarnawski, M, Frei, M, Hiblot, J, Johnsson, K. | Deposit date: | 2020-07-27 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Engineered HaloTag variants for fluorescence lifetime multiplexing. Nat.Methods, 19, 2022
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6W7P
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2VQ8
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![BU of 2vq8 by Molmil](/molmil-images/mine/2vq8) | RNASE ZF-1A | Descriptor: | CHLORIDE ION, RNASE ZF-1A | Authors: | Kazakou, K, Holloway, D.E, Prior, S.H, Subramanian, V, Acharya, K.R. | Deposit date: | 2008-03-12 | Release date: | 2008-06-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Ribonuclease A Homologues of the Zebrafish: Polymorphism, Crystal Structures of Two Representatives and Their Evolutionary Implications. J.Mol.Biol., 380, 2008
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6W8E
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![BU of 6w8e by Molmil](/molmil-images/mine/6w8e) | |
3OB8
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![BU of 3ob8 by Molmil](/molmil-images/mine/3ob8) | Structure of the beta-galactosidase from Kluyveromyces lactis in complex with galactose | Descriptor: | Beta-galactosidase, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Fernandez-Leiro, R, Pereira-Rodriguez, A, Becerra, M, Gonzalez-Siso, I, Cerdan, M.E, Sanz-Aparicio, J. | Deposit date: | 2010-08-06 | Release date: | 2011-08-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of specificity in tetrameric Kluyveromyces lactis beta-galactosidase. J.Struct.Biol., 177, 2012
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3OBA
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![BU of 3oba by Molmil](/molmil-images/mine/3oba) | Structure of the beta-galactosidase from Kluyveromyces lactis | Descriptor: | Beta-galactosidase, GLYCEROL, MANGANESE (III) ION | Authors: | Fernandez-Leiro, R, Pereira-Rodriguez, A, Becerra, M, Gonzalez-Siso, I, Cerdan, M.E, Sanz-Aparicio, J. | Deposit date: | 2010-08-06 | Release date: | 2011-08-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structural basis of specificity in tetrameric Kluyveromyces lactis beta-galactosidase. J.Struct.Biol., 177, 2012
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4HHP
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![BU of 4hhp by Molmil](/molmil-images/mine/4hhp) | Crystal structure of triosephosphate isomerase from trypanosoma cruzi, mutant e105d | Descriptor: | GLYCEROL, SULFATE ION, Triosephosphate isomerase, ... | Authors: | Hernandez-Santoyo, A, Aguirre-Fuentes, Y, Torres-Larios, A, Gomez-Puyou, A, De Gomez-Puyou, M.T. | Deposit date: | 2012-10-10 | Release date: | 2013-10-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Different contribution of conserved amino acids to the global properties of triosephosphate isomerases. Proteins, 82, 2014
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6Y7A
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![BU of 6y7a by Molmil](/molmil-images/mine/6y7a) | X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a chloroalkane-tetramethylrhodamine fluorophore substrate | Descriptor: | CHLORIDE ION, GLYCEROL, Haloalkane dehalogenase, ... | Authors: | Tarnawski, M, Johnsson, K, Hiblot, J. | Deposit date: | 2020-02-28 | Release date: | 2021-03-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag. Biochemistry, 60, 2021
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6Y7B
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![BU of 6y7b by Molmil](/molmil-images/mine/6y7b) | X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with a chloroalkane-carbopyronine fluorophore substrate | Descriptor: | 4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid, CHLORIDE ION, Haloalkane dehalogenase | Authors: | Tarnawski, M, Johnsson, K, Hiblot, J. | Deposit date: | 2020-02-28 | Release date: | 2021-03-31 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag. Biochemistry, 60, 2021
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8QH0
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6ZCC
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![BU of 6zcc by Molmil](/molmil-images/mine/6zcc) | X-ray structure of the Haloalkane dehalogenase HOB (HaloTag7-based Oligonucleotide Binder) labeled with a chloroalkane-tetramethylrhodamine fluorophore substrate | Descriptor: | ACETATE ION, CALCIUM ION, Haloalkane dehalogenase, ... | Authors: | Tarnawski, M, Johnsson, K, Hiblot, J. | Deposit date: | 2020-06-10 | Release date: | 2021-04-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Kinetic and Structural Characterization of the Self-Labeling Protein Tags HaloTag7, SNAP-tag, and CLIP-tag. Biochemistry, 60, 2021
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8QH1
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4JEQ
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![BU of 4jeq by Molmil](/molmil-images/mine/4jeq) | Different Contribution of Conserved Amino Acids to the Global Properties of Homologous Enzymes | Descriptor: | DI(HYDROXYETHYL)ETHER, SULFATE ION, TRIOSEPHOSPHATE ISOMERASE, ... | Authors: | Hernandez-Santoyo, A, Aguirre-Fuentes, Y, Torres-Larios, A, Gomez-Puyou, A, De Gomez-Puyou, M.T. | Deposit date: | 2013-02-27 | Release date: | 2013-10-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.303 Å) | Cite: | Different contribution of conserved amino acids to the global properties of triosephosphate isomerases. Proteins, 82, 2014
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8TUC
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![BU of 8tuc by Molmil](/molmil-images/mine/8tuc) | Unphosphorylated CaMKK2 in complex with CC-8977 | Descriptor: | (4M)-2-cyclopentyl-4-(7-ethoxyquinazolin-4-yl)benzoic acid, 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase kinase 2, ... | Authors: | Bernard, S.M, Shanmugasundaram, V, D'Agostino, L. | Deposit date: | 2023-08-16 | Release date: | 2023-12-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of Small Molecule Inhibitors and Ligand Directed Degraders of Calcium/Calmodulin Dependent Protein Kinase Kinase 1 and 2 (CaMKK1/2). J.Med.Chem., 66, 2023
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4ATF
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![BU of 4atf by Molmil](/molmil-images/mine/4atf) | Crystal structure of inactivated mutant beta-agarase B in complex with agaro-octaose | Descriptor: | 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, BETA-AGARASE B, SODIUM ION | Authors: | Bernard, T, Hehemann, J.H, Correc, G, Jam, M, Michel, G, Czjzek, M. | Deposit date: | 2012-05-06 | Release date: | 2012-07-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Biochemical and Structural Characterization of the Complex Agarolytic Enzyme System from the Marine Bacterium Zobellia Galactanivorans. J.Biol.Chem., 287, 2012
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3UVV
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![BU of 3uvv by Molmil](/molmil-images/mine/3uvv) | Crystal Structure of the ligand binding domains of the thyroid receptor:retinoid X receptor complexed with 3,3',5 triiodo-L-thyronine and 9-cis retinoic acid | Descriptor: | (9cis)-retinoic acid, 3,5,3'TRIIODOTHYRONINE, Retinoic acid receptor RXR-alpha, ... | Authors: | Fernandez, E.J, Putcha, B.-D.K, Wright, E, Brunzelle, J.S. | Deposit date: | 2011-11-30 | Release date: | 2012-04-18 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural basis for negative cooperativity within agonist-bound TR:RXR heterodimers. Proc.Natl.Acad.Sci.USA, 109, 2012
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7K8X
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![BU of 7k8x by Molmil](/molmil-images/mine/7k8x) | Structure of the SARS-CoV-2 S 2P trimer in complex with the human neutralizing antibody Fab fragment, C121 (State 1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C121 Fab Heavy chain, C121 Fab Light chain, ... | Authors: | Abernathy, M.E, Barnes, C.O, Bjorkman, P.J. | Deposit date: | 2020-09-27 | Release date: | 2020-10-21 | Last modified: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies. Nature, 588, 2020
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1XNX
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![BU of 1xnx by Molmil](/molmil-images/mine/1xnx) | Crystal structure of constitutive androstane receptor | Descriptor: | 16,17-ANDROSTENE-3-OL, constitutive androstane receptor | Authors: | Fernandez, E. | Deposit date: | 2004-10-05 | Release date: | 2005-01-04 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure of the murine constitutive androstane receptor complexed to androstenol; a molecular basis for inverse agonism Mol.Cell, 16, 2004
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