3LUQ
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![BU of 3luq by Molmil](/molmil-images/mine/3luq) | The Crystal Structure of a PAS Domain from a Sensory Box Histidine Kinase Regulator from Geobacter sulfurreducens to 2.5A | Descriptor: | SULFATE ION, Sensor protein, TRIETHYLENE GLYCOL | Authors: | Stein, A.J, Weger, A, Duggan, E, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-02-18 | Release date: | 2010-03-16 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | The Crystal Structure of a PAS Domain from a Sensory Box Histidine Kinase Regulator from Geobacter sulfurreducens to 2.5A To be Published
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3LVT
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![BU of 3lvt by Molmil](/molmil-images/mine/3lvt) | The Crystal Structure of a Protein in the Glycosyl Hydrolase Family 38 from Enterococcus faecalis to 2.55A | Descriptor: | CALCIUM ION, Glycosyl hydrolase, family 38 | Authors: | Stein, A.J, Binkowski, T.A, Weger, A, Borovilos, M, Moy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-02-22 | Release date: | 2010-03-16 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The Crystal Structure of a Protein in the Glycosyl Hydrolase Family 38 from Enterococcus faecalis to 2.55A To be Published
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3M1A
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![BU of 3m1a by Molmil](/molmil-images/mine/3m1a) | The Crystal Structure of a Short-chain Dehydrogenase from Streptomyces avermitilis to 2A | Descriptor: | ACETATE ION, Putative dehydrogenase, SODIUM ION | Authors: | Stein, A.J, Evdokimova, E, Egorova, O, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-03-04 | Release date: | 2010-03-23 | Last modified: | 2021-10-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of a Short-chain Dehydrogenase from Streptomyces avermitilis to 2A To be Published
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3LXQ
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![BU of 3lxq by Molmil](/molmil-images/mine/3lxq) | The Crystal Structure of a Protein in the Alkaline Phosphatase Superfamily from Vibrio parahaemolyticus to 1.95A | Descriptor: | CHLORIDE ION, Uncharacterized protein VP1736 | Authors: | Stein, A.J, Weger, A, Duggan, E, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-02-25 | Release date: | 2010-03-09 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Crystal Structure of a Protein in the Alkaline Phosphatase Superfamily from Vibrio parahaemolyticus to 1.95A To be Published
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3LWA
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![BU of 3lwa by Molmil](/molmil-images/mine/3lwa) | The Crystal Structure of a Secreted Thiol-disulfide Isomerase from Corynebacterium glutamicum to 1.75A | Descriptor: | CALCIUM ION, Secreted thiol-disulfide isomerase | Authors: | Stein, A.J, Weger, A, Hendricks, R, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-02-23 | Release date: | 2010-03-02 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The Crystal Structure of a Secreted Thiol-disulfide Isomerase from Corynebacterium glutamicum to 1.75A To be Published
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3MQO
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![BU of 3mqo by Molmil](/molmil-images/mine/3mqo) | The Crystal Structure of the PAS domain in complex with isopropanol of a Transcriptional Regulator in the LuxR family from Burkholderia thailandensis to 1.7A | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ISOPROPYL ALCOHOL, ... | Authors: | Stein, A.J, Tesar, C, Buck, K, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-04-28 | Release date: | 2010-06-23 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The Crystal Structure of the PAS domain in complex with isopropanol of a Transcriptional Regulator in the LuxR family from Burkholderia thailandensis to 1.7A To be Published
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3LW7
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![BU of 3lw7 by Molmil](/molmil-images/mine/3lw7) | The Crystal Structure of an Adenylate kinase-related protein bound to AMP from sulfolobus solfataricus to 2.3A | Descriptor: | ADENOSINE MONOPHOSPHATE, Adenylate kinase related protein (AdkA-like) | Authors: | Stein, A.J, Sather, A, Hendricks, R, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2010-02-23 | Release date: | 2010-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Crystal Structure of an Adenylate kinase-related protein bound to AMP from sulfolobus solfataricus to 2.3A To be Published
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6MO5
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![BU of 6mo5 by Molmil](/molmil-images/mine/6mo5) | Co-Crystal structure of P. aeruginosa LpxC-50228 complex | Descriptor: | MAGNESIUM ION, N-[(2S)-1-(hydroxyamino)-3-methyl-3-{[(oxetan-3-yl)methyl]sulfonyl}-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | Authors: | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | Deposit date: | 2018-10-04 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6MOO
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![BU of 6moo by Molmil](/molmil-images/mine/6moo) | Co-Crystal structure of P. aeruginosa LpxC-achn975 complex | Descriptor: | N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta -1,3-diynyl]benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | Deposit date: | 2018-10-04 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6MO4
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![BU of 6mo4 by Molmil](/molmil-images/mine/6mo4) | Co-Crystal structure of P. aeruginosa LpxC-50067 complex | Descriptor: | MAGNESIUM ION, N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | Authors: | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | Deposit date: | 2018-10-04 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.844 Å) | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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6MOD
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![BU of 6mod by Molmil](/molmil-images/mine/6mod) | Co-Crystal structure of P. aeruginosa LpxC-50432 complex | Descriptor: | GLYCEROL, MAGNESIUM ION, N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, ... | Authors: | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | Deposit date: | 2018-10-04 | Release date: | 2019-07-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety. Chemmedchem, 14, 2019
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1YVP
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![BU of 1yvp by Molmil](/molmil-images/mine/1yvp) | Ro autoantigen complexed with RNAs | Descriptor: | 60-kDa SS-A/Ro ribonucleoprotein, ACETATE ION, MAGNESIUM ION, ... | Authors: | Stein, A.J, Fuchs, G, Fu, C, Wolin, S.L, Reinisch, K.M. | Deposit date: | 2005-02-16 | Release date: | 2005-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural Insights into RNA Quality Control: The Ro Autoantigen Binds Misfolded RNAs via Its Central Cavity Cell(Cambridge,Mass.), 121, 2005
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1YVR
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![BU of 1yvr by Molmil](/molmil-images/mine/1yvr) | Ro autoantigen | Descriptor: | 60-kDa SS-A/Ro ribonucleoprotein | Authors: | Stein, A.J, Fuchs, G, Fu, C, Wolin, S.L, Reinisch, K.M. | Deposit date: | 2005-02-16 | Release date: | 2005-06-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Insights into RNA Quality Control: The Ro Autoantigen Binds Misfolded RNAs via Its Central Cavity Cell(Cambridge,Mass.), 121, 2005
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1JKF
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![BU of 1jkf by Molmil](/molmil-images/mine/1jkf) | Holo 1L-myo-inositol-1-phosphate Synthase | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, myo-inositol-1-phosphate synthase | Authors: | Stein, A.J, Geiger, J.H. | Deposit date: | 2001-07-12 | Release date: | 2002-04-10 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure and mechanism of 1-L-myo-inositol- 1-phosphate synthase J.Biol.Chem., 277, 2002
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1JKI
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![BU of 1jki by Molmil](/molmil-images/mine/1jki) | myo-Inositol-1-phosphate Synthase Complexed with an Inhibitor, 2-deoxy-glucitol-6-phosphate | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-DEOXY-GLUCITOL-6-PHOSPHATE, AMMONIUM ION, ... | Authors: | Stein, A.J, Geiger, J.H. | Deposit date: | 2001-07-12 | Release date: | 2002-04-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The crystal structure and mechanism of 1-L-myo-inositol- 1-phosphate synthase J.Biol.Chem., 277, 2002
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4J1P
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![BU of 4j1p by Molmil](/molmil-images/mine/4j1p) | X-ray crystal structure of bromodomain 2 of human brd2 in complex with rvx208 to 1.08 A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain containing 2, ... | Authors: | Stein, A.J, White, A, Suto, R.K. | Deposit date: | 2013-02-01 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | RVX-208, an Inducer of ApoA-I in Humans, Is a BET Bromodomain Antagonist. Plos One, 8, 2013
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7OND
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![BU of 7ond by Molmil](/molmil-images/mine/7ond) | |
7OO4
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![BU of 7oo4 by Molmil](/molmil-images/mine/7oo4) | |
4J3I
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![BU of 4j3i by Molmil](/molmil-images/mine/4j3i) | X-ray crystal structure of bromodomain complex to 1.24 A resolution | Descriptor: | 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 4, ... | Authors: | Stein, A.J, White, A, Suto, R.K. | Deposit date: | 2013-02-05 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | RVX-208, an Inducer of ApoA-I in Humans, Is a BET Bromodomain Antagonist. Plos One, 8, 2013
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3QQZ
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![BU of 3qqz by Molmil](/molmil-images/mine/3qqz) | Crystal structure of the C-terminal domain of the yjiK protein from Escherichia coli CFT073 | Descriptor: | CALCIUM ION, Putative uncharacterized protein yjiK | Authors: | Stein, A, Chhor, G, Nocek, B, Fenske, R.J, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2011-02-16 | Release date: | 2011-03-09 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of the C-terminal domain of the yjiK protein from Escherichia coli CFT073 TO BE PUBLISHED
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7ONP
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![BU of 7onp by Molmil](/molmil-images/mine/7onp) | Wild type carbonic anhydrase II with bound IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-nitro-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, ACETATE ION, Carbonic anhydrase 2, ... | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | Deposit date: | 2021-05-25 | Release date: | 2021-12-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.408 Å) | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
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4ZG6
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![BU of 4zg6 by Molmil](/molmil-images/mine/4zg6) | Structural basis for inhibition of human autotaxin by four novel compounds | Descriptor: | 4-{(Z)-2-[6-chloro-1-(4-fluorobenzyl)-1H-indol-3-yl]-1-cyanoethenyl}benzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ... | Authors: | Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F. | Deposit date: | 2015-04-22 | Release date: | 2015-10-14 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding. Mol.Pharmacol., 88, 2015
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7ONM
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![BU of 7onm by Molmil](/molmil-images/mine/7onm) | Carbonic anhydrase II mutant (N67G-E69R-I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | Deposit date: | 2021-05-25 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.769 Å) | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
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7ONQ
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![BU of 7onq by Molmil](/molmil-images/mine/7onq) | Carbonic anhydrase II mutant (E69C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | Deposit date: | 2021-05-25 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
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7ONV
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![BU of 7onv by Molmil](/molmil-images/mine/7onv) | Carbonic anhydrase II mutant (I91C) dually binding an IrCp* complex to generate an artificial transfer hydrogenase (ATHase) | Descriptor: | 1,2-ETHANEDIOL, 4-[2-(4-azanyl-9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1,3,5-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide, Carbonic anhydrase 2, ... | Authors: | Stein, A, Dongping, C, Cotelle, Y, Rebelein, J.G, Ward, T.R. | Deposit date: | 2021-05-26 | Release date: | 2021-12-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | A Dual Anchoring Strategy for the Directed Evolution of Improved Artificial Transfer Hydrogenases Based on Carbonic Anhydrase. Acs Cent.Sci., 7, 2021
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