1T3P
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![BU of 1t3p by Molmil](/molmil-images/mine/1t3p) | Half-sandwich arene ruthenium(II)-enzyme complex | Descriptor: | ACETATE ION, CHLORIDE ION, Lysozyme C, ... | Authors: | McNae, I.W, Fishburne, K, Habtemariam, A, Hunter, T.M, Melchart, M, Wang, F, Walkinshaw, M.D, Sadler, P.J. | Deposit date: | 2004-04-27 | Release date: | 2005-07-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Half-sandwich arene ruthenium(II)-enzyme complex CHEM.COMMUN.(CAMB.), 16, 2004
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1T0O
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![BU of 1t0o by Molmil](/molmil-images/mine/1t0o) | The structure of alpha-galactosidase from Trichoderma reesei complexed with beta-D-galactose | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Golubev, A.M, Nagem, R.A.P, Brandao Neto, J.R, Neustroev, K.N, Eneyskaya, E.V, Kulminskaya, A.A, Shabalin, K.A, Savel'ev, A.N, Polikarpov, I. | Deposit date: | 2004-04-12 | Release date: | 2004-10-12 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Crystal structure of alpha-galactosidase from Trichoderma reesei and its complex with galactose: implications for catalytic mechanism J.Mol.Biol., 339, 2004
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1T4G
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![BU of 1t4g by Molmil](/molmil-images/mine/1t4g) | ATPase in complex with AMP-PNP | Descriptor: | DNA repair and recombination protein radA, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Wu, Y, He, Y, Moya, I.A, Qian, X, Luo, Y. | Deposit date: | 2004-04-29 | Release date: | 2004-08-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Archaeal Recombinase RadA; A Snapshot of Its Extended Conformation. Mol.Cell, 15, 2004
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4NU9
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![BU of 4nu9 by Molmil](/molmil-images/mine/4nu9) | 2.30 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus with BME-free Cys289 | Descriptor: | Betaine aldehyde dehydrogenase, SODIUM ION | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Stam, J, Shuvalova, L, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-12-03 | Release date: | 2013-12-11 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus. Acta Crystallogr.,Sect.D, 71, 2015
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7JJT
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![BU of 7jjt by Molmil](/molmil-images/mine/7jjt) | Ruminococcus bromii amylase Amy5 (RBR_07800) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Alpha-amylase, ... | Authors: | Cerqueira, F, Koropatkin, N. | Deposit date: | 2020-07-27 | Release date: | 2021-06-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | The structures of the GH13_36 amylases from Eubacterium rectale and Ruminococcus bromii reveal subsite architectures that favor maltose production Amylase, 4, 2020
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1T6V
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![BU of 1t6v by Molmil](/molmil-images/mine/1t6v) | Crystal structure analysis of the nurse shark new antigen receptor (NAR) variable domain in complex with lysozyme | Descriptor: | CHLORIDE ION, Lysozyme C, novel antigen receptor | Authors: | Stanfield, R.L, Dooley, H, Flajnik, M.F, Wilson, I.A. | Deposit date: | 2004-05-07 | Release date: | 2004-08-24 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of a shark single-domain antibody V region in complex with lysozyme. Science, 305, 2004
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4NYU
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![BU of 4nyu by Molmil](/molmil-images/mine/4nyu) | Structure of Vibrio cholerae chitin de-N-acetylase in complex with acetate ion (ACT) in C 2 2 21 | Descriptor: | ACETATE ION, CALCIUM ION, Deacetylase DA1, ... | Authors: | Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E. | Deposit date: | 2013-12-11 | Release date: | 2014-08-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Structural basis of chitin oligosaccharide deacetylation. Angew.Chem.Int.Ed.Engl., 53, 2014
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1T87
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![BU of 1t87 by Molmil](/molmil-images/mine/1t87) | Crystal Structure of the Ferrous CO-bound Cytochrome P450cam (C334A) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CARBON MONOXIDE, ... | Authors: | Nagano, S, Tosha, T, Ishimori, K, Morishima, I, Poulos, T.L. | Deposit date: | 2004-05-11 | Release date: | 2004-05-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the cytochrome p450cam mutant that exhibits the same spectral perturbations induced by putidaredoxin binding. J.Biol.Chem., 279, 2004
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1TA4
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1T88
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![BU of 1t88 by Molmil](/molmil-images/mine/1t88) | Crystal Structure of the Ferrous Cytochrome P450cam (C334A) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ... | Authors: | Nagano, S, Tosha, T, Ishimori, K, Morishima, I, Poulos, T.L. | Deposit date: | 2004-05-11 | Release date: | 2004-05-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the cytochrome p450cam mutant that exhibits the same spectral perturbations induced by putidaredoxin binding. J.Biol.Chem., 279, 2004
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1TDY
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1VQL
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4NXL
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![BU of 4nxl by Molmil](/molmil-images/mine/4nxl) | Dibenzothiophene monooxygenase (DszC) from Rhodococcus erythropolis | Descriptor: | DszC | Authors: | Zhang, L, Duan, X, Li, X, Rao, Z. | Deposit date: | 2013-12-09 | Release date: | 2014-07-23 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural insights into the stabilization of active, tetrameric DszC by its C-terminus. Proteins, 82, 2014
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4O4P
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![BU of 4o4p by Molmil](/molmil-images/mine/4o4p) | Structure of P450 BM3 A82F F87V in complex with S-omeprazol | Descriptor: | 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Leys, D. | Deposit date: | 2013-12-19 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Human P450-like oxidation of diverse proton pump inhibitor drugs by 'gatekeeper' mutants of flavocytochrome P450 BM3. Biochem.J., 460, 2014
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4NZB
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![BU of 4nzb by Molmil](/molmil-images/mine/4nzb) | NS9283 bound to Ls-AChBP | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]benzonitrile, ACETATE ION, ... | Authors: | Olsen, J.A, Kastrup, J.S, Gajhede, M. | Deposit date: | 2013-12-11 | Release date: | 2014-07-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Structural and functional studies of the modulator NS9283 reveal agonist-like mechanism of action at alpha 4 beta 2 nicotinic acetylcholine receptors. J.Biol.Chem., 289, 2014
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4NZ4
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![BU of 4nz4 by Molmil](/molmil-images/mine/4nz4) | Structure of Vibrio cholerae chitin de-N-acetylase in complex with 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE (NDG) and zinc ion | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Albesa-Jove, D, Andres, E, Biarnes, X, Planas, A, Guerin, M.E. | Deposit date: | 2013-12-11 | Release date: | 2014-08-13 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.944 Å) | Cite: | Structural basis of chitin oligosaccharide deacetylation. Angew.Chem.Int.Ed.Engl., 53, 2014
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1VKM
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7JJ1
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5R8A
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![BU of 5r8a by Molmil](/molmil-images/mine/5r8a) | PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1492796719 in complex with INTERLEUKIN-1 BETA | Descriptor: | Interleukin-1 beta, SULFATE ION, ~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide | Authors: | De Nicola, G.F, Nichols, C.E. | Deposit date: | 2020-03-03 | Release date: | 2020-04-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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5R8O
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5R97
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![BU of 5r97 by Molmil](/molmil-images/mine/5r97) | PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13662a in complex with MAP kinase p38-alpha | Descriptor: | 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | De Nicola, G.F, Nichols, C.E. | Deposit date: | 2020-03-04 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.438 Å) | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes. J.Med.Chem., 63, 2020
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4NZZ
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5R9L
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5R8M
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5RA3
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