6UHI
 
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6WBT
 | | 2.52 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Gut Microorganisms in Complex with NAD and Glucose-6-phosphate | | Descriptor: | 1,2-ETHANEDIOL, 6-O-phosphono-alpha-D-glucopyranose, MANGANESE (II) ION, ... | | Authors: | Wu, R, Kim, Y, Endres, M, Joachimiak, J. | | Deposit date: | 2020-03-27 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | 2.52 Angstrom Resolution Crystal Structure of 6-phospho-alpha-glucosidase from Gut Microorganisms in Complex with NAD and Glucose-6-phosphate
To Be Published
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4ZQD
 | | Crystal Structure of the Heterodimeric HIF-2a:ARNT Complex with the Benzoxadiazole Antagonist 0X3 | | Descriptor: | Aryl hydrocarbon receptor nuclear translocator, Endothelial PAS domain-containing protein 1, N-(3-chloro-5-fluorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine | | Authors: | Wu, D, Potluri, N, Lu, J, Kim, Y, Rastinejad, F. | | Deposit date: | 2015-05-09 | | Release date: | 2015-08-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | Structural integration in hypoxia-inducible factors.
Nature, 524, 2015
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6WCF
 | | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS-CoV-2 in complex with MES | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Non-structural protein 3 | | Authors: | Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-03-30 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.065 Å) | | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
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6W5H
 | | 1.85 A resolution structure of Norovirus 3CL protease in complex with inhibitor 5d | | Descriptor: | 2-(3-chlorophenyl)-2-methylpropyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate, 3C-LIKE PROTEASE | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Rathnayake, A.D, Kim, Y, Chang, K.O, Groutas, W.C. | | Deposit date: | 2020-03-13 | | Release date: | 2020-09-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 63, 2020
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6W6Y
 | | Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in complex with AMP | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Non-structural protein 3 | | Authors: | Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-03-18 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes.
Iucrj, 7, 2020
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6W2A
 | | 1.65 A resolution structure of SARS-CoV 3CL protease in complex with inhibitor 7j | | Descriptor: | (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, Replicase polyprotein 1a, [4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | | Authors: | Kashipathy, M.M, Lovell, S, Battaile, K.P, Rathnayake, A.D, Zheng, J, Kim, Y, Nguyen, H.N, Chang, K.O, Groutas, W.C. | | Deposit date: | 2020-03-05 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | 3C-like protease inhibitors block coronavirus replication in vitro and improve survival in MERS-CoV-infected mice.
Sci Transl Med, 12, 2020
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6V5M
 | | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in Complex with Succinate | | Descriptor: | 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Beta-lactamase, ... | | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-12-04 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica in Complex with Succinate.
To Be Published
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6V71
 | | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Nitrate in the Active Site | | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase, FORMIC ACID, ... | | Authors: | Maltseva, N, Kim, Y, Clancy, S, Endres, M, Mulligan, R, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-12-06 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of Metallo Beta Lactamase from Hirschia baltica with Nitrate in the Active Site
To Be Published
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6WTC
 | | Crystal Structure of the Second Form of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS CoV-2 | | Descriptor: | ACETIC ACID, Non-structural protein 7, Non-structural protein 8 | | Authors: | Wilamowski, M, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-05-02 | | Release date: | 2020-05-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal Structure of the Second Form of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS CoV-2
To Be Published
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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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2P15
 | | Crystal structure of the ER alpha ligand binding domain with the agonist ortho-trifluoromethylphenylvinyl estradiol | | Descriptor: | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL, Estrogen receptor, GRIP peptide | | Authors: | Bruning, J.B, Nettles, K.W, Greene, G.L, Kim, Y. | | Deposit date: | 2007-03-02 | | Release date: | 2007-05-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural plasticity in the oestrogen receptor ligand-binding domain.
Embo Rep., 8, 2007
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1NNI
 | | Azobenzene Reductase from Bacillus subtilis | | Descriptor: | FLAVIN MONONUCLEOTIDE, hypothetical protein yhda | | Authors: | Cuff, M.E, Kim, Y, Maj, L, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2003-01-13 | | Release date: | 2003-07-29 | | Last modified: | 2011-11-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Azobenzene Reductase from Bacillus subtilis
To be Published, 2003
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3HLV
 | | Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and 16-alpha-hydroxy-estrone ((8S,9R,13S,14R,16R)-3,16-dihydroxy-13-methyl-7,8,9,11,12,14,15, 16-octahydro-6H-cyclopenta[a]phenanthren-17-one | | Descriptor: | (9beta,13alpha,16beta)-3,16-dihydroxyestra-1,3,5(10)-trien-17-one, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Rajan, S.S, Kim, Y, Vanek, K, Joachimiak, A, Greene, G.L. | | Deposit date: | 2009-05-28 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of human alphaER-LBD in complex with GRIP peptide and 16alpha-hydroxyestrone
To be Published
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3HM1
 | | Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and estrone ((8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one) | | Descriptor: | (9beta,13alpha)-3-hydroxyestra-1,3,5(10)-trien-17-one, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Rajan, S.S, Kim, Y, Vanek, K, Liwanag, M, Joachimiak, A, Greene, G.L. | | Deposit date: | 2009-05-28 | | Release date: | 2010-06-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of human Estrogen Receptor Alpha Ligand-Binding Domain in complex with a Glucocorticoid Receptor Interacting Protein 1 Nr Box II Peptide and estrone ((8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15, 16-octahydro-6H-cyclopenta[a]phenanthren-17-one)
To be Published
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1R4V
 | | 1.9A crystal structure of protein AQ328 from Aquifex aeolicus | | Descriptor: | CACODYLATE ION, Hypothetical protein AQ_328, ZINC ION | | Authors: | Qiu, Y, Tereshko, V, Kim, Y, Zhang, R, Collart, F, Joachimiak, A, Kossiakoff, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2003-10-08 | | Release date: | 2004-03-30 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structure of Aq_328 from the hyperthermophilic bacteria Aquifex aeolicus shows an ancestral histone fold.
Proteins, 62, 2006
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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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7KOA
 | | Room Temperature Structure of SARS-CoV-2 Nsp10/16 Methyltransferase in a Complex with Cap-0 and SAM Determined by Pink-Beam Serial Crystallography | | Descriptor: | 2'-O-methyltransferase, Non-structural protein 10, P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, ... | | Authors: | Wilamowski, M, Sherrell, D.A, Minasov, G, Shuvalova, L, Lavens, A, Henning, R, Maltseva, N, Rosas-Lemus, M, Kim, Y, Satchell, K.J.F, Srajer, V, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-11-07 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with Cap-0 and SAM Determined by Pink-Beam Serial Crystallography
To Be Published
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7KFF
 | | Crystal structure of TrmD tRNA (guanine-N1)-methyltransferase from Corynebacterium diphtheriae in complex with SAH | | Descriptor: | ACETATE ION, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Michalska, K, Tanase, L, Maltseva, N, Kim, Y, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-10-13 | | Release date: | 2020-10-28 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Crystal structure of TrmD tRNA (guanine-N1)-methyltransferase from Corynebacterium diphtheriae in complex with SAH
To Be Published
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3IQT
 | | Structure of the HPT domain of Sensor protein barA from Escherichia coli CFT073. | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Signal transduction histidine-protein kinase barA | | Authors: | Cuff, M.E, Rakowski, E, Kim, Y, Freeman, L, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-08-20 | | Release date: | 2009-09-22 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of the HPT domain of Sensor protein barA from Escherichia coli CFT073.
TO BE PUBLISHED
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7K0F
 | | 1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with a deuterated GC376 alpha-ketoamide analog (compound 5) | | Descriptor: | 3C-like proteinase, N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide, TETRAETHYLENE GLYCOL | | Authors: | Lovell, S, Kashipathy, M.M, Battaile, K.P, Chamandi, S.D, Nguyen, H.N, Kim, Y, Chang, K.O, Groutas, W.C. | | Deposit date: | 2020-09-04 | | Release date: | 2021-01-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Postinfection treatment with a protease inhibitor increases survival of mice with a fatal SARS-CoV-2 infection.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7JPE
 | | Room Temperature Structure of SARS-CoV-2 Nsp10/Nsp16 Methyltransferase in a Complex with m7GpppA Cap-0 and SAM Determined by Fixed-Target Serial Crystallography | | Descriptor: | 2'-O-methyltransferase, 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE, Non-structural protein 10, ... | | Authors: | Wilamowski, M, Sherrell, D.A, Minasov, G, Kim, Y, Shuvalova, L, Lavens, A, Chard, R, Rosas-Lemus, M, Maltseva, N, Jedrzejczak, R, Michalska, K, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-08-07 | | Release date: | 2020-08-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | 2'-O methylation of RNA cap in SARS-CoV-2 captured by serial crystallography.
Proc.Natl.Acad.Sci.USA, 118, 2021
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1MT6
 | | Structure of histone H3 K4-specific methyltransferase SET7/9 with AdoHcy | | Descriptor: | S-ADENOSYL-L-HOMOCYSTEINE, SET9 | | Authors: | Jacobs, S.A, Harp, J.M, Devarakonda, S, Kim, Y, Rastinejad, F, Khorasanizadeh, S. | | Deposit date: | 2002-09-20 | | Release date: | 2002-11-06 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The active site of the SET domain is constructed on a knot
Nat.Struct.Biol., 9, 2002
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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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3HYL
 | | Crystal Structure of Transketolase from Bacillus anthracis | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ... | | Authors: | Maltseva, N, Kim, Y, Kwon, K, Joachimiak, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-06-22 | | Release date: | 2009-06-30 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal Structure of Transketolase from Bacillus anthracis
To be Published
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