1MYR
 
 | | MYROSINASE FROM SINAPIS ALBA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Burmeister, W.P, Iori, R, Palmieri, S, Henrissat, B. | | Deposit date: | 1997-03-23 | | Release date: | 1997-06-16 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | The crystal structures of Sinapis alba myrosinase and a covalent glycosyl-enzyme intermediate provide insights into the substrate recognition and active-site machinery of an S-glycosidase.
Structure, 5, 1997
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3M7W
 | | Crystal Structure of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 in Covalent Complex with Dehydroquinate | | Descriptor: | 1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID, 3-dehydroquinate dehydratase, GLYCEROL | | Authors: | Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2010-03-17 | | Release date: | 2010-04-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Insights into the mechanism of type I dehydroquinate dehydratases from structures of reaction intermediates.
J.Biol.Chem., 286, 2011
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6VQP
 | | Structure of CalU17 from the Calicheamicin Biosynthesis Pathway of Micromonospora echinospora | | Descriptor: | CalU17, CalU17 His-Tagged protein, GLYCEROL, ... | | Authors: | Kosgei, A.J, Miller, M.D, Xu, W, Van Lanen, S.G, Thorson, J.S, Phillips Jr, G.N. | | Deposit date: | 2020-02-05 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of DynF from the Dynemicin Biosynthesis Pathway of Micromonospora chersina
To Be Published
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5TAM
 | | Structure of rabbit RyR1 (Caffeine/ATP/Ca2+ dataset, class 4) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ... | | Authors: | Clarke, O.B, des Georges, A, Zalk, R, Marks, A.R, Hendrickson, W.A, Frank, J. | | Deposit date: | 2016-09-10 | | Release date: | 2016-10-12 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural Basis for Gating and Activation of RyR1.
Cell, 167, 2016
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1N3B
 | | Crystal Structure of Dephosphocoenzyme A kinase from Escherichia coli | | Descriptor: | Dephospho-CoA kinase, SULFATE ION | | Authors: | O'Toole, N, Barbosa, J.A.R.G, Li, Y, Hung, L.-W, Matte, A, Cygler, M, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2002-10-25 | | Release date: | 2003-01-28 | | Last modified: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of a Trimeric Form of Dephosphocoenzyme A Kinase from Escherichia coli
Protein Sci., 12, 2003
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8TQL
 | | MPI54 bound to Mpro of SARS-CoV-2 | | Descriptor: | 3C-like proteinase nsp5, benzyl [(2S,3S)-3-tert-butoxy-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxobutan-2-yl]carbamate | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-08-07 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | MPI54 bound to SARS-CoV-2 Mpro
To Be Published
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6VLL
 | | The crystal structure of the 2009/H1N1/California PA endonuclease mutant I38T in complex with SJ000986213 | | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, SULFATE ION, ... | | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | | Deposit date: | 2020-01-24 | | Release date: | 2021-02-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.87 Å) | | Cite: | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000986213
To Be Published
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5BVQ
 | | Ligand-unbound pFABP4 | | Descriptor: | fatty acid-binding protein | | Authors: | Lee, J.H, Lee, C.W, Do, H. | | Deposit date: | 2015-06-05 | | Release date: | 2015-08-05 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis for the ligand-binding specificity of fatty acid-binding proteins (pFABP4 and pFABP5) in gentoo penguin
Biochem.Biophys.Res.Commun., 465, 2015
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8TQU
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8TQJ
 | | MPI57 bound to Mpro of SARS-CoV-2 | | Descriptor: | 3C-like proteinase nsp5, benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-08-07 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | MPI57 bound to SARS-CoV-2 Mpro
To Be Published
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1CXK
 | | COMPLEX BETWEEN A MALTONONAOSE SUBSTRATE AND BACILLUS CIRCULANS STRAIN 251 CGTASE E257Q/D229N | | Descriptor: | CALCIUM ION, PROTEIN (CYCLODEXTRIN-GLYCOSYLTRANSFERASE), alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | Uitdehaag, J.C.M, Kalk, K.H, Dijkstra, B.W. | | Deposit date: | 1999-02-24 | | Release date: | 1999-05-03 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | X-ray structures along the reaction pathway of cyclodextrin glycosyltransferase elucidate catalysis in the alpha-amylase family.
Nat.Struct.Biol., 6, 1999
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5TDY
 | | Structure of cofolded FliFc:FliGn complex from Thermotoga maritima | | Descriptor: | Flagellar M-ring protein, Flagellar motor switch protein FliG | | Authors: | Lynch, M.J, Levenson, R, Kim, E.A, Sircar, R, Blair, D.F, Dahlquist, F.W, Crane, B.R. | | Deposit date: | 2016-09-20 | | Release date: | 2017-01-25 | | Last modified: | 2020-01-29 | | Method: | X-RAY DIFFRACTION (2.105 Å) | | Cite: | Co-Folding of a FliF-FliG Split Domain Forms the Basis of the MS:C Ring Interface within the Bacterial Flagellar Motor.
Structure, 25, 2017
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8TQH
 | | MPI68 bound to Mpro of SARS-CoV-2 | | Descriptor: | 3C-like proteinase nsp5, N~2~-[(benzyloxy)carbonyl]-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-08-07 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | MPI68 bound to SARS-CoV-2 Mpro
To Be Published
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8TQT
 | | MPI52 bound to Mpro of SARS-CoV-2 | | Descriptor: | (3-chlorophenyl)methyl [(2S)-3-cyclohexyl-1-({(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}amino)-1-oxopropan-2-yl]carbamate, 3C-like proteinase nsp5 | | Authors: | Blankenship, L.R, Liu, W.R. | | Deposit date: | 2023-08-08 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | MPI52 bound to SARS-CoV-2 Mpro
To Be Published
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6W5L
 | | 2.1 A resolution structure of Norovirus 3CL protease in complex with inhibitor 7g | | Descriptor: | (2~{S})-~{N}-[(1~{R})-1-[bis($l^{1}-oxidanyl)-methoxy-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[[2-(3-chlorophenyl)-2-methyl-propoxy]-oxidanylidene-methyl]amino]-4-methyl-pentanamide, 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 (2.1 Å) | | Cite: | Structure-Guided Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 63, 2020
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8GUL
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8GUM
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1CIN
 | | THE POSITIONS OF HIS-64 AND A BOUND WATER IN HUMAN CARBONIC ANHYDRASE II UPON BINDING THREE STRUCTURALLY RELATED INHIBITORS | | Descriptor: | (4S-TRANS)-4-(METHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, CARBONIC ANHYDRASE II, METHYL MERCURY ION, ... | | Authors: | Smith, G.M, Alexander, R.S, Christianson, D.W, Mckeever, B.M, Ponticello, G.S, Springer, J.P, Randall, W.C, Baldwin, J.J, Habecker, C.N. | | Deposit date: | 1993-10-20 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Positions of His-64 and a bound water in human carbonic anhydrase II upon binding three structurally related inhibitors.
Protein Sci., 3, 1994
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4CDQ
 | | Crystal structure of human Enterovirus 71 in complex with the uncoating inhibitor GPP2 | | Descriptor: | 4-((5-(2-oxo-3-(pyridin-4-yl)imidazolidin-1-yl)pentyl)oxy)benzaldehyde O-ethyl oxime, SODIUM ION, VP1, ... | | Authors: | DeColibus, L, Wang, X, Spyrou, J.A.B, Kelly, J, Ren, J, Grimes, J, Puerstinger, G, Stonehouse, N, Walter, T.S, Hu, Z, Wang, J, Li, X, Peng, W, Rowlands, D, Fry, E.E, Rao, Z, Stuart, D.I. | | Deposit date: | 2013-11-05 | | Release date: | 2014-02-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | More-Powerful Virus Inhibitors from Structure-Based Analysis of Hev71 Capsid-Binding Molecules
Nat.Struct.Mol.Biol., 21, 2014
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6WA9
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3FI1
 | | NhaA dimer model | | Descriptor: | Na(+)/H(+) antiporter nhaA | | Authors: | Appel, M, Hizlan, D, Vinothkumar, K.R, Ziegler, C, Kuehlbrandt, W. | | Deposit date: | 2008-12-10 | | Release date: | 2009-01-13 | | Last modified: | 2024-02-21 | | Method: | ELECTRON CRYSTALLOGRAPHY (7 Å) | | Cite: | Conformations of NhaA, the Na/H exchanger from Escherichia coli, in the pH-activated and ion-translocating states
J.Mol.Biol., 386, 2009
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6VWF
 | | Structure of ALDH9A1 complexed with NAD+ in space group C222 | | Descriptor: | 4-trimethylaminobutyraldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Wyatt, J.W, Tanner, J.J. | | Deposit date: | 2020-02-19 | | Release date: | 2020-08-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.64 Å) | | Cite: | Inhibition, crystal structures, and in-solution oligomeric structure of aldehyde dehydrogenase 9A1.
Arch.Biochem.Biophys., 691, 2020
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5C6G
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8UCU
 | | Partial DNA termination subcomplex of Xenopus laevis DNA polymerase alpha-primase | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA polymerase alpha catalytic subunit, DNA template, ... | | Authors: | Mullins, E.A, Chazin, W.J, Eichman, B.F. | | Deposit date: | 2023-09-27 | | Release date: | 2023-10-11 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.85 Å) | | Cite: | A mechanistic model of primer synthesis from catalytic structures of DNA polymerase alpha-primase.
Nat.Struct.Mol.Biol., 31, 2024
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5TLS
 | | 2.4 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with DZ2002 and NAD | | Descriptor: | (2S)-4-(6-amino-9H-purin-9-yl)-2-hydroxybutanoic acid, Adenosylhomocysteinase, CHLORIDE ION, ... | | Authors: | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Bishop, B, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-10-11 | | Release date: | 2016-10-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | 2.4 Angstrom Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with DZ2002 and NAD
To Be Published
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