1BDX
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![BU of 1bdx by Molmil](/molmil-images/mine/1bdx) | E. COLI DNA HELICASE RUVA WITH BOUND DNA HOLLIDAY JUNCTION, ALPHA CARBONS AND PHOSPHATE ATOMS ONLY | Descriptor: | DNA (5'-D(P*GP*CP*AP*TP*GP*CP*AP*TP*AP*TP*GP*CP*AP*TP*GP*C)-3'), HOLLIDAY JUNCTION DNA HELICASE RUVA | Authors: | Hargreaves, D, Rice, D.W, Sedelnikova, S.E, Artymiuk, P.J, Lloyd, R.G, Rafferty, J.B. | Deposit date: | 1998-05-11 | Release date: | 1999-11-24 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (6 Å) | Cite: | Crystal structure of E.coli RuvA with bound DNA Holliday junction at 6 A resolution. Nat.Struct.Biol., 5, 1998
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7PK5
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8OZ2
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8P2N
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8P5L
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![BU of 8p5l by Molmil](/molmil-images/mine/8p5l) | Kinase domain of mutant human ULK1 in complex with compound MRT67307 | Descriptor: | MAGNESIUM ION, N-{3-[(5-cyclopropyl-2-{[3-(morpholin-4-ylmethyl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide, Serine/threonine-protein kinase ULK1 | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | Deposit date: | 2023-05-24 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.836 Å) | Cite: | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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1B5J
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8P5G
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![BU of 8p5g by Molmil](/molmil-images/mine/8p5g) | Kinase domain of wild type human ULK1 in complex with compound CCT241533 | Descriptor: | 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, SODIUM ION, ... | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | Deposit date: | 2023-05-24 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.019 Å) | Cite: | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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7PYO
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![BU of 7pyo by Molmil](/molmil-images/mine/7pyo) | Structure of an LPMO (expressed in E.coli) at 2.31x10^5 Gy | Descriptor: | ACETATE ION, Auxiliary activity 9, COPPER (II) ION, ... | Authors: | Tandrup, T, Muderspach, S.J, Banerjee, S, Ipsen, J.O, Rollan, C.H, Norholm, M.H.H, Johansen, K.S, Lo Leggio, L. | Deposit date: | 2021-10-10 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Iucrj, 9, 2022
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8P5J
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![BU of 8p5j by Molmil](/molmil-images/mine/8p5j) | Kinase domain of mutant human ULK1 in complex with compound WZ4003 | Descriptor: | MAGNESIUM ION, SODIUM ION, Serine/threonine-protein kinase ULK1, ... | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | Deposit date: | 2023-05-24 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.164 Å) | Cite: | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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8P5H
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![BU of 8p5h by Molmil](/molmil-images/mine/8p5h) | Kinase domain of mutant human ULK1 in complex with compound CCT241533 | Descriptor: | 4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL)PYRROLIDIN-3-YL]AMINO}-6,7-DIMETHOXYQUINAZOLIN-2-YL)PHENOL, MAGNESIUM ION, SODIUM ION, ... | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | Deposit date: | 2023-05-24 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.941 Å) | Cite: | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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1B71
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![BU of 1b71 by Molmil](/molmil-images/mine/1b71) | RUBRERYTHRIN | Descriptor: | FE (III) ION, PROTEIN (RUBRERYTHRIN), ZINC ION | Authors: | Sieker, L.C, Holmes, M, Le Trong, I, Turley, S, Santarsiero, B.D, Liu, M.-Y, Legall, J, Stenkamp, R.E. | Deposit date: | 1999-01-26 | Release date: | 2000-01-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Alternative metal-binding sites in rubrerythrin. Nat.Struct.Biol., 6, 1999
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8P5I
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![BU of 8p5i by Molmil](/molmil-images/mine/8p5i) | Kinase domain of mutant human ULK1 in complex with compound XMD-17-51 | Descriptor: | 5,11-dimethyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimido[4,5-b][1,4]benzodiazepin-6-one, GLYCEROL, MAGNESIUM ION, ... | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | Deposit date: | 2023-05-24 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.829 Å) | Cite: | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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8P2Q
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8IBI
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![BU of 8ibi by Molmil](/molmil-images/mine/8ibi) | Inactive mutant of CtPL-H210S/F214I | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Li, X, Shi, B.L, Zeng, Z.Y, Huang, J.-W, Chen, C.-C, Guo, R.-T. | Deposit date: | 2023-02-10 | Release date: | 2023-04-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Functional tailoring of a PET hydrolytic enzyme expressed in Pichia pastoris. Bioresour Bioprocess, 10, 2023
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8P5K
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![BU of 8p5k by Molmil](/molmil-images/mine/8p5k) | Kinase domain of mutant human ULK1 in complex with compound MRT68921 | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Battista, T, Semrau, M.S, Heroux, A, Lolli, G, Storici, P. | Deposit date: | 2023-05-24 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.209 Å) | Cite: | Crystal structures of ULK1 in complex with KCGS compounds To Be Published
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8P8Z
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![BU of 8p8z by Molmil](/molmil-images/mine/8p8z) | Crystal structure of the metallo-beta-lactamase VIM1 with 1963 | Descriptor: | 3-[3-cyano-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-04 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 1963 To Be Published
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8PA3
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![BU of 8pa3 by Molmil](/molmil-images/mine/8pa3) | Crystal structure of the metallo-beta-lactamase VIM1 with 2500 | Descriptor: | 7-[(1~{S})-1-[4-(2-azanylethyl)phenoxy]ethyl]-3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-07 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2500 To Be Published
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8OX2
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![BU of 8ox2 by Molmil](/molmil-images/mine/8ox2) | BRICHOS trimer | Descriptor: | Pulmonary surfactant-associated protein C | Authors: | Ghosh, D, Torres, F, Guentert, P, Riek, R. | Deposit date: | 2023-04-30 | Release date: | 2024-06-26 | Method: | SOLUTION NMR | Cite: | The inhibitory action of the chaperone BRICHOS against the alpha-Synuclein secondary nucleation pathway at near-atomic resolution To Be Published
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8PAR
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![BU of 8par by Molmil](/molmil-images/mine/8par) | Crystal structure of human MAP4K1 with an inhibitor, BAY-405 | Descriptor: | GLYCEROL, Mitogen-activated protein kinase kinase kinase kinase 1, ~{N}-[3,5-bis(fluoranyl)-4-[[3-[1-(trifluoromethyl)cyclopropyl]-1~{H}-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-2,9-dioxa-4-azaspiro[5.5]undec-3-en-3-amine | Authors: | Schaefer, M. | Deposit date: | 2023-06-08 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification and optimization of Azaindole based MAP4K1 Inhibitors and the discovery of BAY-405 To Be Published
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8P93
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![BU of 8p93 by Molmil](/molmil-images/mine/8p93) | Crystal structure of the metallo-beta-lactamase VIM1 with 2163 | Descriptor: | 3-[3-fluoranyl-4-[(piperidin-4-ylsulfonylamino)methyl]phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-05 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2163 To Be Published
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8PCE
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![BU of 8pce by Molmil](/molmil-images/mine/8pce) | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid, 250 ms | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | Deposit date: | 2023-06-11 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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8P9Q
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![BU of 8p9q by Molmil](/molmil-images/mine/8p9q) | Crystal structure of the metallo-beta-lactamase VIM1 with 2455 | Descriptor: | 7-[(1~{S})-1-acetyloxyethyl]-3-[3-fluoranyl-4-(sulfamoylmethyl)phenyl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, DIMETHYL SULFOXIDE, ... | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-06 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2455 To Be Published
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1BEA
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![BU of 1bea by Molmil](/molmil-images/mine/1bea) | BIFUNCTIONAL HAGEMAN FACTOR/AMYLASE INHIBITOR FROM MAIZE | Descriptor: | BIFUNCTIONAL AMYLASE/SERINE PROTEASE INHIBITOR | Authors: | Behnke, C.A, Yee, V.C, Le Trong, I, Pedersen, L.C, Stenkamp, R.E, Kim, S.S, Reeck, G.R, Teller, D.C. | Deposit date: | 1998-05-13 | Release date: | 1998-08-12 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural determinants of the bifunctional corn Hageman factor inhibitor: x-ray crystal structure at 1.95 A resolution. Biochemistry, 37, 1998
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8PAA
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![BU of 8paa by Molmil](/molmil-images/mine/8paa) | Crystal structure of the metallo-beta-lactamase VIM1 with 2552 | Descriptor: | 7-[(1~{S})-1-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]carbonyloxyethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid, Beta-lactamase VIM-1, ZINC ION | Authors: | Calvopina, K, Brem, J, Farley, A.J.M, Allen, M.D, Schofield, C.J. | Deposit date: | 2023-06-07 | Release date: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal structure of the metallo-beta-lactamase VIM1 with 2552 To Be Published
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8PCT
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![BU of 8pct by Molmil](/molmil-images/mine/8pct) | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 2500 ms | Descriptor: | BORATE ION, Beta-lactamase, SULFATE ION, ... | Authors: | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | Deposit date: | 2023-06-11 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification. Commun Chem, 7, 2024
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