7TQ5
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![BU of 7tq5 by Molmil](/molmil-images/mine/7tq5) | Structure of SARS-CoV-2 3CL protease in complex with the cyclopropane based inhibitor 10d | Descriptor: | (1R,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, ... | Authors: | Lovell, S, Liu, L, Battaile, K.P, Nguyen, H.N, Chamandi, S.D, Picard, H.R, Madden, T.K, Thruman, H.A, Kim, Y, Groutas, W.C, Chang, K.O. | Deposit date: | 2022-01-26 | Release date: | 2022-02-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Broad-Spectrum Cyclopropane-Based Inhibitors of Coronavirus 3C-like Proteases: Biochemical, Structural, and Virological Studies. Acs Pharmacol Transl Sci, 6, 2023
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2ARH
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![BU of 2arh by Molmil](/molmil-images/mine/2arh) | Crystal Structure of a Protein of Unknown Function AQ1966 from Aquifex aeolicus VF5 | Descriptor: | CALCIUM ION, SELENIUM ATOM, SULFATE ION, ... | Authors: | Qiu, Y, Kim, Y, Yang, X, Collart, F, Joachimiak, A, Kossiakoff, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-08-19 | Release date: | 2005-10-04 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Crystal Structure of a Hypothetical Protein Aq_1966 from Aquifex aeolicus VF5 To be Published
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1CJE
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![BU of 1cje by Molmil](/molmil-images/mine/1cje) | ADRENODOXIN FROM BOVINE | Descriptor: | ADRENODOXIN, FE2/S2 (INORGANIC) CLUSTER | Authors: | Pikuleva, I.A, Tesh, K, Waterman, M.R, Kim, Y. | Deposit date: | 1999-04-12 | Release date: | 2000-01-21 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The tertiary structure of full-length bovine adrenodoxin suggests functional dimers. Arch.Biochem.Biophys., 373, 2000
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5ZQD
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![BU of 5zqd by Molmil](/molmil-images/mine/5zqd) | |
1EQ8
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![BU of 1eq8 by Molmil](/molmil-images/mine/1eq8) | THREE-DIMENSIONAL STRUCTURE OF THE PENTAMERIC HELICAL BUNDLE OF THE ACETYLCHOLINE RECEPTOR M2 TRANSMEMBRANE SEGMENT | Descriptor: | ACETYLCHOLINE RECEPTOR PROTEIN, HYDROXIDE ION | Authors: | Marassi, F.M, Gesell, J.J, Kim, Y, Valente, A.P, Oblatt-Montal, M, Montal, M, Opella, S.J. | Deposit date: | 2000-04-03 | Release date: | 2000-04-26 | Last modified: | 2022-02-16 | Method: | SOLID-STATE NMR | Cite: | Structures of the M2 channel-lining segments from nicotinic acetylcholine and NMDA receptors by NMR spectroscopy. Nat.Struct.Biol., 6, 1999
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5F3M
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![BU of 5f3m by Molmil](/molmil-images/mine/5f3m) | Crystal structure of dihydroneopterin aldolase from Bacillus anthracis complexed with L-neopterin at 1.5 Angstroms resolution . | Descriptor: | 1,2-ETHANEDIOL, 7,8-dihydroneopterin aldolase, CHLORIDE ION, ... | Authors: | Maltseva, N, Kim, Y, Shatsman, S, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-12-03 | Release date: | 2015-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.498 Å) | Cite: | Crystal structure of dihydroneopterin aldolase from Bacillus anthracis complexed with L-neopterin at 1.5 Angstroms resolution . To Be Published
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5F6Q
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![BU of 5f6q by Molmil](/molmil-images/mine/5f6q) | Crystal Structure of Metallothiol Transferase from Bacillus anthracis str. Ames | Descriptor: | CHLORIDE ION, GLYCEROL, Metallothiol transferase FosB 2, ... | Authors: | Maltseva, N, Kim, Y, Osipiuk, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-12-06 | Release date: | 2015-12-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Crystal Structure of Metallothiol Transferase from Bacillus anthracis str. Ames To Be Published
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5HD6
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![BU of 5hd6 by Molmil](/molmil-images/mine/5hd6) | High resolution structure of 3-hydroxydecanoyl-(acyl carrier protein) dehydratase from Yersinia pestis at 1.35 A | Descriptor: | 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase, GLYCEROL | Authors: | Chang, C, Maltseva, N, Kim, Y, Mulligan, R, Kwon, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-04 | Release date: | 2016-01-20 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | High resolution structure of 3-hydroxydecanoyl-(acyl carrier protein) dehydratase from Yersinia pestis at 1.35 A To Be Published
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5DG6
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![BU of 5dg6 by Molmil](/molmil-images/mine/5dg6) | 2.35A resolution structure of Norovirus 3CL protease in complex an oxadiazole-based, cell permeable macrocyclic (21-mer) inhibitor | Descriptor: | 3C-LIKE PROTEASE, CHLORIDE ION, tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Alliston, K.R, Weerawarna, P.M, Kankanamalage, A.C.G, Lushington, G.H, Chang, K.-O, Groutas, W.C. | Deposit date: | 2015-08-27 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Oxadiazole-Based Cell Permeable Macrocyclic Transition State Inhibitors of Norovirus 3CL Protease. J.Med.Chem., 59, 2016
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6MN5
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![BU of 6mn5 by Molmil](/molmil-images/mine/6mn5) | Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, H154A mutant, in complex with gentamicin C1A | Descriptor: | (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL, 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, ... | Authors: | Stogios, P.J, Evdokimova, E, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-10-01 | Release date: | 2018-10-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family. Commun Biol, 5, 2022
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5DGJ
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![BU of 5dgj by Molmil](/molmil-images/mine/5dgj) | 1.0A resolution structure of Norovirus 3CL protease in complex an oxadiazole-based, cell permeable macrocyclic (20-mer) inhibitor | Descriptor: | 3C-LIKE PROTEASE, tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Alliston, K.R, Weerawarna, P.M, Kankanamalage, A.C.G, Lushington, G.H, Chang, K.-O, Groutas, W.C. | Deposit date: | 2015-08-27 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Oxadiazole-Based Cell Permeable Macrocyclic Transition State Inhibitors of Norovirus 3CL Protease. J.Med.Chem., 59, 2016
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5E0G
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![BU of 5e0g by Molmil](/molmil-images/mine/5e0g) | 1.20 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (17-mer) inhibitor | Descriptor: | (phenylmethyl) ~{N}-[(8~{S},11~{S},14~{S})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate, CHLORIDE ION, Norovirus 3C-like protease | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Weerawarna, P.M, Kim, Y, Kankanamalage, A.C.G, Damalanka, V.C, Lushington, G.H, Alliston, K.R, Chang, K.-O, Groutas, W.C. | Deposit date: | 2015-09-28 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies. Eur.J.Med.Chem., 119, 2016
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5E0H
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![BU of 5e0h by Molmil](/molmil-images/mine/5e0h) | 1.95 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (18-mer) inhibitor | Descriptor: | (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate, GLYCEROL, Norovirus 3C-like protease | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Weerawarna, P.M, Kim, Y, Kankanamalage, A.C.G, Damalanka, V.C, Lushington, G.H, Alliston, K.R, Chang, K.-O, Groutas, W.C. | Deposit date: | 2015-09-28 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies. Eur.J.Med.Chem., 119, 2016
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5E0J
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![BU of 5e0j by Molmil](/molmil-images/mine/5e0j) | 1.20 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (21-mer) inhibitor | Descriptor: | (phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate, CHLORIDE ION, Norovirus 3C-like protease | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Weerawarna, P.M, Kim, Y, Kankanamalage, A.C.G, Damalanka, V.C, Lushington, G.H, Alliston, K.R, Chang, K.-O, Groutas, W.C. | Deposit date: | 2015-09-28 | Release date: | 2016-05-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies. Eur.J.Med.Chem., 119, 2016
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2KZ3
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![BU of 2kz3 by Molmil](/molmil-images/mine/2kz3) | |
1N6A
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![BU of 1n6a by Molmil](/molmil-images/mine/1n6a) | Structure of SET7/9 | Descriptor: | S-ADENOSYLMETHIONINE, SET domain-containing protein 7 | Authors: | Kwon, T.W, Chang, J.H, Kwak, E, Lee, C.W, Joachimiak, A, Kim, Y.C, Lee, J, Cho, Y. | Deposit date: | 2002-11-09 | Release date: | 2003-02-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of histone lysine methyl transfer revealed by the structure of SET7/9-AdoMet EMBO J., 22, 2003
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1W6Y
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![BU of 1w6y by Molmil](/molmil-images/mine/1w6y) | crystal structure of a mutant W92A in ketosteroid isomerase (KSI) from Pseudomonas putida biotype B | Descriptor: | BETA-MERCAPTOETHANOL, EQUILENIN, STEROID DELTA-ISOMERASE | Authors: | Yun, Y.S, Nam, G.H, Kim, Y.-G, Oh, B.-H, Choi, K.Y. | Deposit date: | 2004-08-25 | Release date: | 2005-04-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Small Exterior Hydrophobic Cluster Contributes to Conformational Stability and Steroid Binding in Ketosteroid Isomerase from Pseudomonas Putida Biotype B FEBS J., 272, 2005
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2FBQ
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![BU of 2fbq by Molmil](/molmil-images/mine/2fbq) | The crystal structure of transcriptional regulator PA3006 | Descriptor: | probable transcriptional regulator | Authors: | Lunin, V.V, Skarina, T, Onopriyenko, O, Kim, Y, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-12-09 | Release date: | 2005-12-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structure of transcriptional regulator PA3006 To be Published
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1XG8
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![BU of 1xg8 by Molmil](/molmil-images/mine/1xg8) | Crystal Structure of Protein of Unknown Function SA0789 from Staphylococcus aureus | Descriptor: | hypothetical protein SA0798 | Authors: | Rotella, F.J, Zhang, R.G, Kim, Y, Quartey, P, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-09-16 | Release date: | 2004-11-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The 2.1A crystal structure of hypothetical protein SA0798 from Staphylococcus aureus To be Published
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3IGJ
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![BU of 3igj by Molmil](/molmil-images/mine/3igj) | Crystal Structure of Maltose O-acetyltransferase Complexed with Acetyl Coenzyme A from Bacillus anthracis | Descriptor: | ACETYL COENZYME *A, FORMIC ACID, GLYCEROL, ... | Authors: | Maltseva, N, Kim, Y, Papazisi, L, Anderson, W, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-27 | Release date: | 2009-08-04 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of Maltose O-acetyltransferase Complexed with Acetyl Coenzyme A from Bacillus anthracis To be Published
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2JMK
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![BU of 2jmk by Molmil](/molmil-images/mine/2jmk) | Solution structure of ta0956 | Descriptor: | Hypothetical protein Ta0956 | Authors: | Koo, B, Jung, J, Jung, H, Nam, H, Kim, Y, Yee, A, Arrowsmith, C.H, Lee, W. | Deposit date: | 2006-11-20 | Release date: | 2007-10-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of the hypothetical novel-fold protein TA0956 from Thermoplasma acidophilum Proteins, 69, 2007
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1XSJ
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![BU of 1xsj by Molmil](/molmil-images/mine/1xsj) | Structure of a Family 31 alpha glycosidase | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative family 31 glucosidase yicI | Authors: | Lovering, A.L, Lee, S.S, Kim, Y.W, Withers, S.G, Strynadka, N.C. | Deposit date: | 2004-10-19 | Release date: | 2004-10-26 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanistic and Structural Analysis of a Family 31 alpha-Glycosidase and Its Glycosyl-enzyme Intermediate J.Biol.Chem., 280, 2005
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3FBQ
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![BU of 3fbq by Molmil](/molmil-images/mine/3fbq) | The crystal structure of the conserved domain protein from Bacillus anthracis | Descriptor: | Conserved domain protein | Authors: | Zhang, R, Joachimiak, G, Kim, Y, Gornicki, P, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2008-11-19 | Release date: | 2008-12-23 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | The crystal structure of the conserved domain protein from Bacillus anthracis To be Published
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1L1S
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![BU of 1l1s by Molmil](/molmil-images/mine/1l1s) | Structure of Protein of Unknown Function MTH1491 from Methanobacterium thermoautotrophicum | Descriptor: | hypothetical protein MTH1491 | Authors: | Christendat, D, Saridakis, V, Kim, Y, Kumar, P.A, Xu, X, Semesi, A, Joachimiak, A, Arrowsmith, C.H, Edwards, A.M, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2002-02-19 | Release date: | 2002-05-29 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of hypothetical protein MTH1491 from Methanobacterium thermoautotrophicum. Protein Sci., 11, 2002
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5FDA
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![BU of 5fda by Molmil](/molmil-images/mine/5fda) | The high resolution structure of apo form dihydrofolate reductase from Yersinia pestis at 1.55 A | Descriptor: | CHLORIDE ION, Dihydrofolate reductase | Authors: | Chang, C, Maltseva, N, Kim, Y, Makowska-Grzyska, M, Mulligan, R, Papazisi, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-12-15 | Release date: | 2015-12-30 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.549 Å) | Cite: | structure of dihydrofolate reductase from Yersinia pestis complex with To Be Published
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