6HEE
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![BU of 6hee by Molmil](/molmil-images/mine/6hee) | Crystal structure of Extracellular Domain 1 (ECD1) of FtsX from S. pneumonie in complex with undecyl-maltoside | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cell division protein FtsX, SULFATE ION, ... | Authors: | Martinez-Caballero, S, Alcorlo-Pages, M, Hermoso, J.A. | Deposit date: | 2018-08-20 | Release date: | 2019-04-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae. Mbio, 10, 2019
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4XIL
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![BU of 4xil by Molmil](/molmil-images/mine/4xil) | |
4XJA
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![BU of 4xja by Molmil](/molmil-images/mine/4xja) | Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 5-acetamido-2,3-difluoro-3-hydroxy-6-[1,2,3-trihydroxypropyl]oxane-2-carboxylic acid | Descriptor: | (1s,3R,4S)-1-[(cyclohexylamino)methyl]-3,4-dihydroxycyclopentanesulfonic acid, (2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Brear, P. | Deposit date: | 2015-01-08 | Release date: | 2016-01-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | `The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB To be published
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4XMA
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4XYX
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![BU of 4xyx by Molmil](/molmil-images/mine/4xyx) | NanB plus Optactamide | Descriptor: | Optactamide, PHOSPHATE ION, Sialidase B | Authors: | Rogers, G.W, Brear, P, Yang, L, Taylor, G.L, Westwood, N.J. | Deposit date: | 2015-02-03 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB To Be Published
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4XMI
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![BU of 4xmi by Molmil](/molmil-images/mine/4xmi) | |
3L8C
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![BU of 3l8c by Molmil](/molmil-images/mine/3l8c) | |
3LGX
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3JRK
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![BU of 3jrk by Molmil](/molmil-images/mine/3jrk) | A putative tagatose 1,6-diphosphate aldolase from Streptococcus pyogenes | Descriptor: | GLYCEROL, Tagatose 1,6-diphosphate aldolase 2 | Authors: | Fan, Y, Volkart, L, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-09-08 | Release date: | 2009-09-22 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The crystal structure of a putative tagatose 1,6-diphosphate aldolase from Streptococcus pyogenes To be Published
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3MHG
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![BU of 3mhg by Molmil](/molmil-images/mine/3mhg) | Dihydroxyacetone phosphate carbanion intermediate in tagatose-1,6-bisphosphate aldolase from Streptococcus pyogenes | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, CALCIUM ION, Tagatose 1,6-diphosphate aldolase 2 | Authors: | LowKam, C, Liotard, B. | Deposit date: | 2010-04-07 | Release date: | 2010-04-28 | Last modified: | 2019-07-17 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure of a class I tagatose-1,6-bisphosphate aldolase: investigation into an apparent loss of stereospecificity. J.Biol.Chem., 285, 2010
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7UBA
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![BU of 7uba by Molmil](/molmil-images/mine/7uba) | Structure of fungal Hop1 CBR domain | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HORMA domain-containing protein, PENTAETHYLENE GLYCOL, ... | Authors: | Ur, S.N, Corbett, K.D. | Deposit date: | 2022-03-14 | Release date: | 2023-03-29 | Last modified: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Chromatin binding by HORMAD proteins regulates meiotic recombination initiation. Embo J., 43, 2024
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3MYO
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![BU of 3myo by Molmil](/molmil-images/mine/3myo) | Crystal structure of tagatose-1,6-bisphosphate aldolase from Streptococcus pyogenes | Descriptor: | Tagatose 1,6-diphosphate aldolase 1 | Authors: | Lee, S.J, Kim, H.S, Kim, D.J, Yoon, H.J, Kim, K.H, Yoon, J.Y, Suh, S.W. | Deposit date: | 2010-05-10 | Release date: | 2011-01-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of LacD from Staphylococcus aureus and LacD.1 from Streptococcus pyogenes: Insights into substrate specificity and virulence gene regulation Febs Lett., 585, 2011
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3MHF
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![BU of 3mhf by Molmil](/molmil-images/mine/3mhf) | Tagatose-1,6-bisphosphate aldolase from Streptococcus pyogenes | Descriptor: | CALCIUM ION, Tagatose 1,6-diphosphate aldolase 2 | Authors: | LowKam, C. | Deposit date: | 2010-04-07 | Release date: | 2010-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structure of a class I tagatose-1,6-bisphosphate aldolase: investigation into an apparent loss of stereospecificity. J.Biol.Chem., 285, 2010
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6MK7
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![BU of 6mk7 by Molmil](/molmil-images/mine/6mk7) | Solution structure of the large extracellular loop of FtsX in Streptococcus pneumoniae | Descriptor: | Cell division protein FtsX | Authors: | Edmonds, K.A, Fu, Y, Wu, H, Rued, B.E, Bruce, K.E, Winkler, M.E, Giedroc, D.P. | Deposit date: | 2018-09-25 | Release date: | 2019-02-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the Large Extracellular Loop of FtsX and Its Interaction with the Essential Peptidoglycan Hydrolase PcsB in Streptococcus pneumoniae. MBio, 10, 2019
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6O0X
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![BU of 6o0x by Molmil](/molmil-images/mine/6o0x) | Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium | Descriptor: | 3' product of target strand DNA, 5' product of target strand DNA, CRISPR-associated endonuclease Cas9/Csn1, ... | Authors: | Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S. | Deposit date: | 2019-02-17 | Release date: | 2019-07-10 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9. Nat.Struct.Mol.Biol., 26, 2019
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7OX8
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![BU of 7ox8 by Molmil](/molmil-images/mine/7ox8) | Target-bound SpCas9 complex with TRAC full RNA guide | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Donohoue, P, Pacesa, M, Lau, E, Vidal, B, Irby, M.J, Nyer, D.B, Rotstein, T, Banh, L, Toh, M.T, Gibson, J, Kohrs, B, Baek, K, Owen, A.L.G, Slorach, E.M, van Overbeek, M, Fuller, C.K, May, A.P, Jinek, M, Cameron, P. | Deposit date: | 2021-06-22 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells. Mol.Cell, 81, 2021
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7OXA
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![BU of 7oxa by Molmil](/molmil-images/mine/7oxa) | Target-bound SpCas9 complex with AAVS1 chimeric RNA-DNA guide | Descriptor: | AAVS1 non-target DNA strand, AAVS1 target DNA strand, CRISPR-associated endonuclease Cas9/Csn1, ... | Authors: | Donohoue, P, Pacesa, M, Lau, E, Vidal, B, Irby, M.J, Nyer, D.B, Rotstein, T, Banh, L, Toh, M.T, Gibson, J, Kohrs, B, Baek, K, Owen, A.L.G, Slorach, E.M, van Overbeek, M, Fuller, C.K, May, A.P, Jinek, M, Cameron, P. | Deposit date: | 2021-06-22 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells. Mol.Cell, 81, 2021
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7OX7
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![BU of 7ox7 by Molmil](/molmil-images/mine/7ox7) | Target-bound SpCas9 complex with TRAC chimeric RNA-DNA guide | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Donohoue, P, Pacesa, M, Lau, E, Vidal, B, Irby, M.J, Nyer, D.B, Rotstein, T, Banh, L, Toh, M.T, Gibson, J, Kohrs, B, Baek, K, Owen, A.L.G, Slorach, E.M, van Overbeek, M, Fuller, C.K, May, A.P, Jinek, M, Cameron, P. | Deposit date: | 2021-06-22 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells. Mol.Cell, 81, 2021
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7OX9
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![BU of 7ox9 by Molmil](/molmil-images/mine/7ox9) | Target-bound SpCas9 complex with AAVS1 all-RNA guide | Descriptor: | AAVS1 non-target DNA strand, AAVS1 target DNA strand, CRISPR-associated endonuclease Cas9/Csn1, ... | Authors: | Pacesa, M, Donohoue, P, May, A.P, Jinek, M, Cameron, P. | Deposit date: | 2021-06-22 | Release date: | 2021-09-15 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Conformational control of Cas9 by CRISPR hybrid RNA-DNA guides mitigates off-target activity in T cells. Mol.Cell, 81, 2021
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6O0Z
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![BU of 6o0z by Molmil](/molmil-images/mine/6o0z) | Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, non-target strand DNA, single guide RNA, ... | Authors: | Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S. | Deposit date: | 2019-02-17 | Release date: | 2019-07-10 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9. Nat.Struct.Mol.Biol., 26, 2019
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6O56
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![BU of 6o56 by Molmil](/molmil-images/mine/6o56) | HNH Nuclease from S. pyogenes Cas9 | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1 | Authors: | Newton, J.C, Lisi, G.P, Jogl, G. | Deposit date: | 2019-03-01 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Allosteric Motions of the CRISPR-Cas9 HNH Nuclease Probed by NMR and Molecular Dynamics. J.Am.Chem.Soc., 142, 2020
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6NKJ
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![BU of 6nkj by Molmil](/molmil-images/mine/6nkj) | 1.3 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with (2R)-2-(phosphonooxy)propanoic acid. | Descriptor: | (2R)-2-(phosphonooxy)propanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2019-01-07 | Release date: | 2019-01-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | 1.3 Angstrom Resolution Crystal Structure of UDP-N-acetylglucosamine 1-carboxyvinyltransferase from Streptococcus pneumoniae in Complex with (2R)-2-(phosphonooxy)propanoic acid. To Be Published
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6O0Y
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![BU of 6o0y by Molmil](/molmil-images/mine/6o0y) | Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium | Descriptor: | 3' product of target strand DNA, 5' product of target strand DNA, CRISPR-associated endonuclease Cas9/Csn1, ... | Authors: | Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S. | Deposit date: | 2019-02-17 | Release date: | 2019-07-10 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.37 Å) | Cite: | Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9. Nat.Struct.Mol.Biol., 26, 2019
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7PGJ
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![BU of 7pgj by Molmil](/molmil-images/mine/7pgj) | Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-decarboxylate TamK and 10-hydroxylase RdmB, together with a single point mutation F297G | Descriptor: | Carminomycin 4-O-methyltransferase DnrK,Methyltransferase domain-containing protein,Aclacinomycin 10-hydroxylase RdmB, S-ADENOSYL-L-HOMOCYSTEINE, methyl (1R,2R,4S)-2-ethyl-7-methoxy-2,4,5-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracene-1-carboxylate | Authors: | Dinis, P, MetsaKetela, M. | Deposit date: | 2021-08-14 | Release date: | 2022-08-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Evolution-inspired engineering of anthracycline methyltransferases. Pnas Nexus, 2, 2023
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7PHF
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![BU of 7phf by Molmil](/molmil-images/mine/7phf) | Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK | Descriptor: | Carminomycin 4-O-methyltransferase DnrK,Methyltransferase domain-containing protein,Aclacinomycin 10-hydroxylase RdmB, S-ADENOSYL-L-HOMOCYSTEINE, methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate | Authors: | Dinis, P, MetsaKetela, M. | Deposit date: | 2021-08-17 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Evolution-inspired engineering of anthracycline methyltransferases. Pnas Nexus, 2, 2023
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