6NH3
 
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with (S)-6-(3-fluoro-5-(2-(pyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine, CHLORIDE ION, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2018-12-21 | | Release date: | 2019-03-13 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold.
J. Med. Chem., 62, 2019
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5V8F
 | | Structural basis of MCM2-7 replicative helicase loading by ORC-Cdc6 and Cdt1 | | Descriptor: | Cell division control protein 6, Cell division cycle protein CDT1, DNA (39-MER), ... | | Authors: | Yuan, Z, Riera, A, Bai, L, Sun, J, Spanos, C, Chen, Z.A, Barbon, M, Rappsilber, J, Stillman, B, Speck, C, Li, H. | | Deposit date: | 2017-03-21 | | Release date: | 2017-05-10 | | Last modified: | 2020-04-22 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis of Mcm2-7 replicative helicase loading by ORC-Cdc6 and Cdt1.
Nat. Struct. Mol. Biol., 24, 2017
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5UOC
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with (S)-3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-(2-(methylamino)propyl)benzonitrile | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-amino-4-methylquinolin-7-yl)methoxy]-5-[(2S)-2-(methylamino)propyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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1T2B
 | | Crystal Structure of cytochrome P450cin complexed with its substrate 1,8-cineole | | Descriptor: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, P450cin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Meharenna, Y.T, Li, H, Hawkes, D.B, Pearson, A.G, De Voss, J, Poulos, T.L. | | Deposit date: | 2004-04-20 | | Release date: | 2005-04-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of P450cin in a complex with its substrate, 1,8-cineole, a close structural homologue to D-camphor, the substrate for P450cam
Biochemistry, 43, 2004
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1SS4
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2OIW
 | | The structure of a predicted thioesterase from Bacillus stearothermophilus | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, putative 4-hydroxybenzoyl-CoA thioesterase | | Authors: | Cuff, M.E, Li, H, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-01-11 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The structure of a predicted thioesterase from Bacillus stearothermophilus
TO BE PUBLISHED
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6OCZ
 | | Crystal Structure of Mycobacterium tuberculosis Proteasome in Complex with Phenylimidazole-based Inhibitor A86 | | Descriptor: | CITRIC ACID, DIMETHYLFORMAMIDE, N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-1,4-dioxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name), ... | | Authors: | Hsu, H.C, Li, H. | | Deposit date: | 2019-03-25 | | Release date: | 2019-10-09 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Selective Phenylimidazole-Based Inhibitors of theMycobacterium tuberculosisProteasome.
J.Med.Chem., 62, 2019
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5UR9
 | | Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 | | Descriptor: | (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid, Fatty acid-binding protein, epidermal, ... | | Authors: | Hsu, H.-C, Li, H. | | Deposit date: | 2017-02-09 | | Release date: | 2017-08-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.19800353 Å) | | Cite: | The Antinociceptive Agent SBFI-26 Binds to Anandamide Transporters FABP5 and FABP7 at Two Different Sites.
Biochemistry, 56, 2017
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1Y9K
 | | IAA acetyltransferase from Bacillus cereus ATCC 14579 | | Descriptor: | IAA acetyltransferase | | Authors: | Nocek, B.P, Osipiuk, J, Li, H, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-12-15 | | Release date: | 2005-02-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | A crystal structure of IAA acetyltransferase from Bacillus cereus
To be Published
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5UO9
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 7-[(3-Ethyl-5-((methylamino)methyl)phenoxy)methyl]quinolin-2-amine | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, 7-({3-ethyl-5-[(methylamino)methyl]phenoxy}methyl)quinolin-2-amine, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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5UQP
 | | The crystal structure of cupin protein from Rhodococcus jostii RHA1 | | Descriptor: | CHLORIDE ION, Cupin, SULFATE ION, ... | | Authors: | Tan, K, Li, H, Clancy, S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2017-02-08 | | Release date: | 2017-02-22 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure of cupin protein from Rhodococcus jostii RHA1
To Be Published
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2PP6
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2OL5
 | | Crystal Structure of a protease synthase and sporulation negative regulatory protein PAI 2 from Bacillus stearothermophilus | | Descriptor: | PAI 2 protein | | Authors: | Brunzelle, J.S, Cuff, M.E, Minasov, G, Li, H, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-01-18 | | Release date: | 2007-02-20 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the novel PaiB transcriptional regulator from Geobacillus stearothermophilus.
Proteins, 79, 2011
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5UO8
 | | Structure of human endothelial nitric oxide synthase heme domain in complex with 3-[(2-aminoquinolin-7-yl)methoxy]-5-((methylamino)methyl)benzonitrile | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-[(2-aminoquinolin-7-yl)methoxy]-5-[(methylamino)methyl]benzonitrile, 5,6,7,8-TETRAHYDROBIOPTERIN, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2017-01-31 | | Release date: | 2017-05-03 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Nitrile in the Hole: Discovery of a Small Auxiliary Pocket in Neuronal Nitric Oxide Synthase Leading to the Development of Potent and Selective 2-Aminoquinoline Inhibitors.
J. Med. Chem., 60, 2017
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1ZUB
 | | Solution Structure of the RIM1alpha PDZ Domain in Complex with an ELKS1b C-terminal Peptide | | Descriptor: | ELKS1b, Regulating synaptic membrane exocytosis protein 1 | | Authors: | Lu, J, Li, H, Wang, Y, Sudhof, T.C, Rizo, J. | | Deposit date: | 2005-05-30 | | Release date: | 2005-08-30 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the RIM1alpha PDZ Domain in Complex with an ELKS1b C-terminal Peptide
J.Mol.Biol., 352, 2005
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2O5H
 | | Uncharacterized Protein Conserved in Bacteria, COG3792 from Neisseria meningitidis | | Descriptor: | Hypothetical protein | | Authors: | Kim, Y, Li, H, Gu, M, Bargassa, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2006-12-06 | | Release date: | 2007-01-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Uncharacterized Protein Conserved in Bacteria, COG3792 from Neisseria meningitidis
To be Published
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4KCP
 | | Structure of bovine endotheial nitric oxide synthase heme domain in complex with N-(4-(2-((3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2013-04-24 | | Release date: | 2014-02-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
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6OCW
 | | Crystal Structure of Mycobacterium tuberculosis Proteasome in Complex with Phenylimidazole-based Inhibitor A85 | | Descriptor: | CITRIC ACID, DIMETHYLFORMAMIDE, N-{(2S)-1-({(2S)-1-[(2,4-difluorobenzyl)amino]-1-oxopropan-2-yl}amino)-4-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxobutan-2-yl}-5-methyl-1,2-oxazole-3-carboxamide (non-preferred name), ... | | Authors: | Hsu, H.C, Li, H. | | Deposit date: | 2019-03-25 | | Release date: | 2019-10-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Selective Phenylimidazole-Based Inhibitors of theMycobacterium tuberculosisProteasome.
J.Med.Chem., 62, 2019
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6ODE
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1Y7U
 | | Crystal Structure of Acyl-Coa hydrolase from Bacillus cereus | | Descriptor: | Acyl-CoA hydrolase, CALCIUM ION, COENZYME A, ... | | Authors: | Kim, Y, Li, H, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-12-10 | | Release date: | 2005-01-25 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of Acyl-CoA hydrolase from Bacillus cereus
To be Published
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2PDO
 | | Crystal Structure of the Putative Acetyltransferase of GNAT Family from Shigella flexneri | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, Acetyltransferase ypeA, ... | | Authors: | Kim, Y, Li, H, Holzle, D, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2007-04-01 | | Release date: | 2007-04-24 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of the Putative Acetyltransferase of GNAT Family from Shigella flexneri
To be Published
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2P1Z
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4KCS
 | | Structure of bovine endothelial nitric oxide synthase heme domain in complex with N-(3-((ethyl(3-fluorophenethyl)amino)methyl)phenyl)thiophene-2-carboximidamide | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, GLYCEROL, ... | | Authors: | Chreifi, G, Li, H, Poulos, T.L. | | Deposit date: | 2013-04-24 | | Release date: | 2014-02-12 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma.
J.Med.Chem., 57, 2014
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2AEE
 | | Crystal structure of Orotate phosphoribosyltransferase from Streptococcus pyogenes | | Descriptor: | CHLORIDE ION, GLYCEROL, Orotate phosphoribosyltransferase, ... | | Authors: | Chang, C, Li, H, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-07-22 | | Release date: | 2005-09-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of Orotate phosphoribosyltransferase from Streptococcus pyogenes
To be Published
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1ZWZ
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