5V8D
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![BU of 5v8d by Molmil](/molmil-images/mine/5v8d) | Structure of Bacillus cereus PatB1 with sulfonyl adduct | Descriptor: | Bacillus cereus PatB1, SULFATE ION | Authors: | Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J. | Deposit date: | 2017-03-21 | Release date: | 2017-10-18 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides. Nat. Chem. Biol., 14, 2018
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5UYY
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![BU of 5uyy by Molmil](/molmil-images/mine/5uyy) | Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with L-tyrosine | Descriptor: | Prephenate dehydrogenase, TYROSINE | Authors: | Shabalin, I.G, Hou, J, Cymborowski, M.T, Kwon, K, Christendat, D, Gritsunov, A.O, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-24 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain. Febs J., 287, 2020
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5VAI
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![BU of 5vai by Molmil](/molmil-images/mine/5vai) | Cryo-EM structure of the activated Glucagon-like peptide-1 receptor in complex with G protein | Descriptor: | Glucagon-like peptide 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Zhang, Y, Sun, B, Feng, D, Hu, H, Chu, M, Qu, Q, Tarrasch, J.T, Li, S, Kobilka, T.S, Kobilka, B.K, Skiniotis, G. | Deposit date: | 2017-03-27 | Release date: | 2017-05-24 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM structure of the activated GLP-1 receptor in complex with a G protein. Nature, 546, 2017
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5OF5
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![BU of 5of5 by Molmil](/molmil-images/mine/5of5) | Cu nitrite reductase serial data at varying temperatures | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2017-07-10 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures. IUCrJ, 5, 2018
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5OFC
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![BU of 5ofc by Molmil](/molmil-images/mine/5ofc) | Cu nitrite reductase serial data at varying temperatures 190K 21.65MGy | Descriptor: | ACETATE ION, COPPER (II) ION, Copper-containing nitrite reductase, ... | Authors: | Horrell, S, Kekilli, D, Strange, R.W, Hough, M.A. | Deposit date: | 2017-07-10 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Enzyme catalysis captured using multiple structures from one crystal at varying temperatures. IUCrJ, 5, 2018
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5OG9
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![BU of 5og9 by Molmil](/molmil-images/mine/5og9) | The BM3 mutant WIFI-WC heme domain in complex with testosterone | Descriptor: | Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Gamble, C, Munro, A.W, Leys, D. | Deposit date: | 2017-07-12 | Release date: | 2018-08-01 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Regio- and diastereoselective hydroxylation of steroids using P450-BM3: Readdressing the numbers problem in directed evolution To Be Published
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5UQF
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![BU of 5uqf by Molmil](/molmil-images/mine/5uqf) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with IMP and the inhibitor P225 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-08 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Campylobacter jejuni in the complex with IMP and the inhibitor P225 To Be Published
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5UUZ
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![BU of 5uuz by Molmil](/molmil-images/mine/5uuz) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Bacillus anthracis in the complex with IMP and the inhibitor P200 | Descriptor: | 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, ... | Authors: | Kim, Y, Maltseva, N, Mulligan, R, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-17 | Release date: | 2017-03-08 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.496 Å) | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from
Bacillus anthracis in the complex with IMP and the inhibitor P200 To Be Published
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5UOI
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![BU of 5uoi by Molmil](/molmil-images/mine/5uoi) | Solution structure of the de novo mini protein HHH_rd1_0142 | Descriptor: | HHH_rd1_0142 | Authors: | Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H. | Deposit date: | 2017-01-31 | Release date: | 2017-07-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Global analysis of protein folding using massively parallel design, synthesis, and testing. Science, 357, 2017
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5UMR
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![BU of 5umr by Molmil](/molmil-images/mine/5umr) | Crystal structure of N-terminal domain of human FACT complex subunit SSRP1 | Descriptor: | FACT complex subunit SSRP1 | Authors: | Su, D, Hu, Q, Thompson, J.R, Heroux, A, Botuyan, M.V, Mer, G. | Deposit date: | 2017-01-29 | Release date: | 2018-01-31 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.501 Å) | Cite: | Crystal structure of N-terminal domain of human FACT complex subunit SSRP1 To Be Published
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5V68
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![BU of 5v68 by Molmil](/molmil-images/mine/5v68) | Crystal structure of cell division protein FtsZ from Mycobacterium tuberculosis bounded via the T9 loop | Descriptor: | Cell division protein FtsZ, GUANOSINE-5'-DIPHOSPHATE, PHOSPHATE ION | Authors: | Lazo, E.O, Ojima, I, Chowdhury, S.R, Awasthi, D, Jakoncic, J. | Deposit date: | 2017-03-16 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | Novel T9 loop conformation of filamenting temperature-sensitive mutant Z from Mycobacterium tuberculosis. Acta Crystallogr.,Sect.F, 75, 2019
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5PZS
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![BU of 5pzs by Molmil](/molmil-images/mine/5pzs) | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[6-[(3-chlorophenyl)sulfonylcarbamoylamino]hexyl]urea | Descriptor: | Fructose-1,6-bisphosphatase 1, N,N'-(hexane-1,6-diyldicarbamoyl)bis(3-chlorobenzene-1-sulfonamide) | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-04-11 | Release date: | 2019-01-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.368 Å) | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(3-chlorophenyl)sulfonyl-3-[6-[(3-chlorophenyl)sulfonylcarbamoylamino]hexyl]urea To be published
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5UHV
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![BU of 5uhv by Molmil](/molmil-images/mine/5uhv) | wild-type NRas bound to GppNHp | Descriptor: | GLYCEROL, GTPase NRas, MAGNESIUM ION, ... | Authors: | Reid, D, Johnson, C, Salter, S, Mattos, C. | Deposit date: | 2017-01-12 | Release date: | 2017-06-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.672 Å) | Cite: | The small GTPases K-Ras, N-Ras, and H-Ras have distinct biochemical properties determined by allosteric effects. J. Biol. Chem., 292, 2017
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5Q05
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![BU of 5q05 by Molmil](/molmil-images/mine/5q05) | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea | Descriptor: | Fructose-1,6-bisphosphatase 1, N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-(2-methoxyethyl)-4-methylthiophene-2-sulfonamide | Authors: | Ruf, A, Joseph, C, Alker, A, Banner, D, Tetaz, T, Benz, J, Kuhn, B, Rudolph, M.G, Yang, H, Shao, C, Burley, S.K. | Deposit date: | 2017-04-20 | Release date: | 2019-01-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human liver fructose-1,6-bisphosphatase 1 (fructose 1,6-bisphosphate 1-phosphatase, E.C.3.1.3.11) complexed with the
allosteric inhibitor 1-(5-bromo-1,3-thiazol-2-yl)-3-[5-(2-methoxyethyl)-4-methylthiophen-2-yl]sulfonylurea To be published
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5UL6
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![BU of 5ul6 by Molmil](/molmil-images/mine/5ul6) | The molecular mechanisms by which NS1 of the 1918 Spanish influenza A virus hijack host protein-protein interactions | Descriptor: | Adapter molecule crk, Proline-rich motif of nonstructural protein 1 of influenza a virus | Authors: | Shen, Q, Zeng, D, Zhao, B, Li, P, Cho, J.H. | Deposit date: | 2017-01-24 | Release date: | 2017-08-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The Molecular Mechanisms Underlying the Hijack of Host Proteins by the 1918 Spanish Influenza Virus. ACS Chem. Biol., 12, 2017
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5UJ0
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![BU of 5uj0 by Molmil](/molmil-images/mine/5uj0) | |
5QP0
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![BU of 5qp0 by Molmil](/molmil-images/mine/5qp0) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z454376544 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ... | Authors: | Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. | Deposit date: | 2019-02-22 | Release date: | 2019-05-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QP4
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![BU of 5qp4 by Molmil](/molmil-images/mine/5qp4) | PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z450133538 | Descriptor: | 1,2-ETHANEDIOL, 1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide, ACETATE ION, ... | Authors: | Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F. | Deposit date: | 2019-02-22 | Release date: | 2019-05-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | PanDDA analysis group deposition To Be Published
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5QXJ
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![BU of 5qxj by Molmil](/molmil-images/mine/5qxj) | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC578 | Descriptor: | (3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | Deposit date: | 2020-02-11 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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5V10
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![BU of 5v10 by Molmil](/molmil-images/mine/5v10) | Crystal structure of the putative tol-pal system-associated acyl-CoA thioesterase from Pseudomonas aeruginosa PAO1 | Descriptor: | CHLORIDE ION, Uncharacterized protein | Authors: | Borek, D, Wawrzak, Z, Grimshaw, S, Sandoval, J, Evdokimova, E, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-28 | Release date: | 2017-03-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the putative tol-pal system-associated acyl-CoA thioesterase from Pseudomonas aeruginosa PAO1 To Be Published
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5QXI
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![BU of 5qxi by Molmil](/molmil-images/mine/5qxi) | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC587 | Descriptor: | (4R,4aR,7aS,9R)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol, (4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol, 1,2-ETHANEDIOL, ... | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | Deposit date: | 2020-02-11 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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5QXK
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![BU of 5qxk by Molmil](/molmil-images/mine/5qxk) | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC581 | Descriptor: | (3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | Deposit date: | 2020-02-11 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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5QXM
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![BU of 5qxm by Molmil](/molmil-images/mine/5qxm) | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF789 | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | Deposit date: | 2020-02-11 | Release date: | 2020-04-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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5QXL
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![BU of 5qxl by Molmil](/molmil-images/mine/5qxl) | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF776 | Descriptor: | 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ... | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | Deposit date: | 2020-02-11 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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5QXN
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![BU of 5qxn by Molmil](/molmil-images/mine/5qxn) | PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF826 | Descriptor: | (3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ... | Authors: | Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F. | Deposit date: | 2020-02-11 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening To Be Published
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