5Q1B
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![BU of 5q1b by Molmil](/molmil-images/mine/5q1b) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | 4-{[(2S)-2-cyclohexyl-2-{5,6-difluoro-2-[4-(1,3-thiazol-2-yl)phenyl]-1H-benzimidazol-1-yl}acetyl]amino}benzoic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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1L40
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![BU of 1l40 by Molmil](/molmil-images/mine/1l40) | |
1L38
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![BU of 1l38 by Molmil](/molmil-images/mine/1l38) | |
5G4Q
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![BU of 5g4q by Molmil](/molmil-images/mine/5g4q) | H.pylori Beta clamp in complex with 5-chloroisatin | Descriptor: | 5-chloro-1H-indole-2,3-dione, DNA POLYMERASE III SUBUNIT BETA | Authors: | Pandey, P, Gourinath, S. | Deposit date: | 2016-05-16 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Screening of E. coli beta-clamp Inhibitors Revealed that Few Inhibit Helicobacter pylori More Effectively: Structural and Functional Characterization. Antibiotics (Basel), 7, 2018
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5Q0M
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![BU of 5q0m by Molmil](/molmil-images/mine/5q0m) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | 5-{[(3beta,5beta,14beta,17alpha)-3-hydroxy-24-oxocholan-24-yl]amino}benzene-1,3-dicarboxylic acid, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q0W
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![BU of 5q0w by Molmil](/molmil-images/mine/5q0w) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | 4-({5-bromo-1'-[(2-chlorophenyl)sulfonyl]-2-oxospiro[indole-3,4'-piperidin]-1(2H)-yl}methyl)benzoic acid, Bile acid receptor, cDNA FLJ76652, ... | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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5Q12
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![BU of 5q12 by Molmil](/molmil-images/mine/5q12) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | 2-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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1I5Q
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![BU of 1i5q by Molmil](/molmil-images/mine/1i5q) | CRYSTAL STRUCTURE OF THE E. COLI AMPC BETA-LACTAMASE MUTANT N152A COVALENTLY ACYLATED WITH THE INHIBITORY BETA-LACTAM, MOXALACTAM | Descriptor: | (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, BETA-LACTAMASE | Authors: | Trehan, I, Beadle, B.M, Shoichet, B.K. | Deposit date: | 2001-02-28 | Release date: | 2001-06-20 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Inhibition of AmpC beta-lactamase through a destabilizing interaction in the active site. Biochemistry, 40, 2001
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5Q1G
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![BU of 5q1g by Molmil](/molmil-images/mine/5q1g) | Ligand binding to FARNESOID-X-RECEPTOR | Descriptor: | (2E)-N-cyclohexyl-N-(cyclohexylcarbamoyl)-3-(4-fluorophenyl)prop-2-enamide, Bile acid receptor, COACTIVATOR PEPTIDE SRC-1 HD3 | Authors: | Rudolph, M.G, Benz, J, Burger, D, Thoma, R, Ruf, A, Joseph, C, Kuhn, B, Shao, C, Yang, H, Burley, S.K. | Deposit date: | 2017-05-31 | Release date: | 2017-07-05 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | D3R Grand Challenge 2: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des., 32, 2018
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1L79
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![BU of 1l79 by Molmil](/molmil-images/mine/1l79) | |
6S0U
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![BU of 6s0u by Molmil](/molmil-images/mine/6s0u) | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T. | Deposit date: | 2019-06-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
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1L41
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![BU of 1l41 by Molmil](/molmil-images/mine/1l41) | |
1L5T
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![BU of 1l5t by Molmil](/molmil-images/mine/1l5t) | Crystal Structure of a Domain-Opened Mutant (R121D) of the Human Lactoferrin N-lobe Refined From a Merohedrally-Twinned Crystal Form. | Descriptor: | lactoferrin | Authors: | Jameson, G.B, Anderson, B.F, Breyer, W.A, Tweedie, J.W, Baker, E.N. | Deposit date: | 2002-03-07 | Release date: | 2002-03-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of a domain-opened mutant (R121D) of the human lactoferrin N-lobe refined from a merohedrally twinned crystal form. Acta Crystallogr.,Sect.D, 58, 2002
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1L60
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![BU of 1l60 by Molmil](/molmil-images/mine/1l60) | |
1L37
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1L56
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![BU of 1l56 by Molmil](/molmil-images/mine/1l56) | |
1KH4
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![BU of 1kh4 by Molmil](/molmil-images/mine/1kh4) | E. COLI ALKALINE PHOSPHATASE MUTANT (D330N) IN COMPLEX WITH PHOSPHATE | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E. | Deposit date: | 2001-11-29 | Release date: | 2002-03-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase. J.Mol.Biol., 316, 2002
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1KH5
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![BU of 1kh5 by Molmil](/molmil-images/mine/1kh5) | E. COLI ALKALINE PHOSPHATASE MUTANT (D330N) MIMIC OF THE TRANSITION STATES WITH ALUMINIUM FLUORIDE | Descriptor: | ALKALINE PHOSPHATASE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E. | Deposit date: | 2001-11-29 | Release date: | 2002-03-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase. J.Mol.Biol., 316, 2002
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1KHJ
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![BU of 1khj by Molmil](/molmil-images/mine/1khj) | E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) MIMIC OF THE TRANSITION STATES WITH ALUMINIUM FLUORIDE | Descriptor: | ALUMINUM FLUORIDE, Alkaline phosphatase, ZINC ION | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C. | Deposit date: | 2001-11-30 | Release date: | 2002-03-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase. J.Mol.Biol., 316, 2002
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1L82
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1KUQ
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![BU of 1kuq by Molmil](/molmil-images/mine/1kuq) | CRYSTAL STRUCTURE OF T3C MUTANT S15 RIBOSOMAL PROTEIN IN COMPLEX WITH 16S RRNA | Descriptor: | 16S RIBOSOMAL RNA FRAGMENT, 30S RIBOSOMAL PROTEIN S15, SULFATE ION | Authors: | Nikulin, A.D, Tishchenko, S, Revtovich, S, Ehresmann, B, Ehresmann, C, Dumas, P, Garber, M, Nikonov, S, Nevskaya, N. | Deposit date: | 2002-01-22 | Release date: | 2003-06-24 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Role of N-terminal helix in interaction of ribosomal protein S15 with 16S rRNA. Biochemistry Mosc., 69, 2004
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1KVT
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![BU of 1kvt by Molmil](/molmil-images/mine/1kvt) | UDP-GALACTOSE 4-EPIMERASE COMPLEXED WITH UDP-PHENOL | Descriptor: | DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Thoden, J.B, Gulick, A.M, Holden, H.M. | Deposit date: | 1997-03-07 | Release date: | 1998-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular structures of the S124A, S124T, and S124V site-directed mutants of UDP-galactose 4-epimerase from Escherichia coli. Biochemistry, 36, 1997
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1KH9
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![BU of 1kh9 by Molmil](/molmil-images/mine/1kh9) | E. COLI ALKALINE PHOSPHATASE MUTANT (D153GD330N) COMPLEX WITH PHOSPHATE | Descriptor: | Alkaline phosphatase, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E. | Deposit date: | 2001-11-29 | Release date: | 2002-03-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase. J.Mol.Biol., 316, 2002
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1KHK
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![BU of 1khk by Molmil](/molmil-images/mine/1khk) | E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) | Descriptor: | Alkaline Phosphatase, MAGNESIUM ION, ZINC ION | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C. | Deposit date: | 2001-11-30 | Release date: | 2002-03-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase. J.Mol.Biol., 316, 2002
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1KH7
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![BU of 1kh7 by Molmil](/molmil-images/mine/1kh7) | E. COLI ALKALINE PHOSPHATASE MUTANT (D153GD330N) | Descriptor: | MAGNESIUM ION, SULFATE ION, ZINC ION, ... | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E. | Deposit date: | 2001-11-29 | Release date: | 2002-03-27 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase. J.Mol.Biol., 316, 2002
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