6Z4M
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6Z4H
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6Z4L
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6Z4G
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6Z4J
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6Z3V
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6Z4I
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6Z4O
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2HZ9
| Crystal structure of Lys12Val/Asn95Val/Cys117Val mutant of human acidic fibroblast growth factor at 1.70 angstrom resolution. | Descriptor: | FORMIC ACID, Heparin-binding growth factor 1, SULFATE ION | Authors: | Dubey, V.K, Lee, J, Somasundaram, T, Blaber, M. | Deposit date: | 2006-08-08 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Spackling the Crack: Stabilizing Human Fibroblast Growth Factor-1 by Targeting the N and C terminus beta-Strand Interactions J.Mol.Biol., 371, 2007
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6LUT
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1ZCA
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5W4G
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6FE6
| Solution structure of a last generation P2-P4 macrocyclic inhibitor | Descriptor: | (3aR,7S,10S,12R,24aR)-7-cyclopentyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-5,8-dioxo-1,2,3,3a,5,6,7,8,11,12,20,21,22,23,24,24a-hexadecahydro-10H-9,12-methanocyclopenta[18,19][1,10,3,6]dioxadiazacyclononadecino[12,11-b]quinoline-10-carboxamide, Non-structural 3 protease, ZINC ION | Authors: | Gallo, M, Eliseo, T, Cicero, D.O. | Deposit date: | 2017-12-29 | Release date: | 2019-01-30 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution structure of a last generation macrocyclic inhibitor. Hepatitis C virus NS3 protease complex: when S prime region occupancy is not enough to stabilize the protein conformation in the absence of NS4A. To Be Published
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3FZD
| Mutation of Asn28 disrupts the enzymatic activity and dimerization of SARS 3CLpro | Descriptor: | 3C-like proteinase | Authors: | Barrila, J, Gabelli, S, Bacha, U, Amzel, L.M, Freire, E. | Deposit date: | 2009-01-25 | Release date: | 2010-05-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Mutation of Asn28 disrupts the dimerization and enzymatic activity of SARS 3CL(pro) . Biochemistry, 49, 2010
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5G0W
| InhA in complex with a DNA encoded library hit | Descriptor: | (2S,4S)-N-methyl-4-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]butanoyl]amino]-1-(phenylcarbonyl)pyrrolidine-2-carboxamide, ENOYL-ACYL CARRIER PROTEIN REDUCTASE, MAGNESIUM ION, ... | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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5G0S
| InhA in complex with a DNA encoded library hit | Descriptor: | ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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1ZCB
| Crystal structure of G alpha 13 in complex with GDP | Descriptor: | G alpha i/13, GUANOSINE-5'-DIPHOSPHATE | Authors: | Nance, M.R, Tesmer, J.J.G. | Deposit date: | 2005-04-11 | Release date: | 2005-11-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A new approach to producing functional G alpha subunits yields the activated and deactivated structures of G alpha(12/13) proteins. Biochemistry, 45, 2006
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3PI5
| Crystal Structure of Human Beta Secretase in Complex with BFG356 | Descriptor: | (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | Authors: | Rondeau, J.M. | Deposit date: | 2010-11-05 | Release date: | 2011-03-23 | Last modified: | 2017-03-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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2ZPC
| Crystal structure of the R43L mutant of LolA in the closed form | Descriptor: | Outer-membrane lipoprotein carrier protein | Authors: | Takeda, K, Yokota, N, Oguchi, Y, Tokuda, H, Miki, K. | Deposit date: | 2008-07-10 | Release date: | 2008-08-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Opening and closing of the hydrophobic cavity of LolA coupled to lipoprotein binding and release. J.Biol.Chem., 283, 2008
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2ZPD
| Crystal structure of the R43L mutant of LolA in the open form | Descriptor: | Outer-membrane lipoprotein carrier protein | Authors: | Takeda, K, Yokota, N, Oguchi, Y, Tokuda, H, Miki, K. | Deposit date: | 2008-07-10 | Release date: | 2008-08-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Opening and closing of the hydrophobic cavity of LolA coupled to lipoprotein binding and release. J.Biol.Chem., 283, 2008
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4LVC
| Crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii in complex with adenosine | Descriptor: | ACETATE ION, ADENOSINE, AMMONIUM ION, ... | Authors: | Manszewski, T, Singh, K, Imiolczyk, B, Jaskolski, M. | Deposit date: | 2013-07-26 | Release date: | 2014-07-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | An enzyme captured in two conformational states: crystal structure of S-adenosyl-L-homocysteine hydrolase from Bradyrhizobium elkanii. Acta Crystallogr.,Sect.D, 71, 2015
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5G0U
| InhA in complex with a DNA encoded library hit | Descriptor: | 5-[(4-fluoranyl-3-phenoxy-phenyl)methylamino]-~{N}-methyl-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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5G0T
| InhA in complex with a DNA encoded library hit | Descriptor: | 1-benzyl-N-[cis-4-(2-{[(4-fluorophenyl)methyl][2-(methylamino)-2-oxoethyl]amino}-2-oxoethyl)cyclohexyl]-5-methyl-1H-1,2,3-triazole-4-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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5G0V
| InhA in complex with a DNA encoded library hit | Descriptor: | ENOYL-ACYL CARRIER PROTEIN REDUCTASE, MAGNESIUM ION, N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-(4-pyrazol-1-ylphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)ethanamide, ... | Authors: | Read, J.A, Breed, J. | Deposit date: | 2016-03-22 | Release date: | 2016-11-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of Cofactor-Specific, Bactericidal Mycobacterium Tuberculosis Inha Inhibitors Using DNA-Encoded Library Technology Proc.Natl.Acad.Sci.USA, 113, 2016
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7CEE
| Crystal structure of mouse neuroligin-3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuroligin-3 | Authors: | Yamagata, A, Yoshida, T, Shiroshima, T, Maeda, A, Fukai, S. | Deposit date: | 2020-06-23 | Release date: | 2021-02-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.763 Å) | Cite: | Canonical versus non-canonical transsynaptic signaling of neuroligin 3 tunes development of sociality in mice. Nat Commun, 12, 2021
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