6GNT
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![BU of 6gnt by Molmil](/molmil-images/mine/6gnt) | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | Descriptor: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, ... | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2018-05-31 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
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5MHQ
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![BU of 5mhq by Molmil](/molmil-images/mine/5mhq) | CCT068127 in complex with CDK2 | Descriptor: | (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol, Cyclin-dependent kinase 2 | Authors: | Whittaker, S.R, Barlow, C, Martin, M.P, Mancusi, C, Wagner, S, Barrie, E, te Poele, R, Sharp, S, Brown, N, Wilson, S, Clarke, P, Walton, M.I, MacDonald, E, Blagg, J, Noble, M.E.M, Garrett, M.D, Workman, P. | Deposit date: | 2016-11-25 | Release date: | 2017-12-20 | Last modified: | 2018-03-14 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Molecular profiling and combinatorial activity of CCT068127: a potent CDK2 and CDK9 inhibitor. Mol Oncol, 12, 2018
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5MQW
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![BU of 5mqw by Molmil](/molmil-images/mine/5mqw) | High-speed fixed-target serial virus crystallography | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Roedig, P, Ginn, H.M, Pakendorf, T, Sutton, G, Harlos, K, Walter, T.S, Meyer, J, Fischer, P, Duman, R, Vartiainen, I, Reime, B, Warmer, M, Brewster, A.S, Young, I.D, Michels-Clark, T, Sauter, N.K, Sikorsky, M, Nelson, S, Damiani, D.S, Alonso-Mori, R, Ren, J, Fry, E.E, David, C, Stuart, D.I, Wagner, A, Meents, A. | Deposit date: | 2016-12-21 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High-speed fixed-target serial virus crystallography. Nat. Methods, 14, 2017
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6GNU
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![BU of 6gnu by Molmil](/molmil-images/mine/6gnu) | Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand | Descriptor: | 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-[6-(2-methylpropyl)quinolin-5-yl]benzenesulfonamide, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA | Authors: | Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2018-05-31 | Release date: | 2018-09-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors. J. Med. Chem., 61, 2018
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6FO6
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![BU of 6fo6 by Molmil](/molmil-images/mine/6fo6) | CryoEM structure of bovine cytochrome bc1 in complex with the anti-malarial inhibitor SCR0911 | Descriptor: | 7-methoxy-3-methyl-2-[5-[4-(trifluoromethyloxy)phenyl]pyridin-3-yl]quinolin-4-ol, Cytochrome b, Cytochrome b-c1 complex subunit 1, ... | Authors: | Johnson, R.M, Amporndanai, K, O'Neill, P.M, Fishwick, C.W.G, Jamson, A.H, Rawson, S.D, Hasnain, S.S, Antonyuk, S.V, Muench, S.P. | Deposit date: | 2018-02-06 | Release date: | 2018-02-28 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery. IUCrJ, 5, 2018
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5OME
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![BU of 5ome by Molmil](/molmil-images/mine/5ome) | The cryofrozen atomic resolution X-ray crystal structure of the reduced form (Fe2+) perdeuterated Pyrococcus furiosus Rubredoxin in D2O (100K, 0.75 Angstrom resolution) | Descriptor: | FE (III) ION, PHOSPHATE ION, Rubredoxin, ... | Authors: | Cuypers, M.G, Mason, S.A, Mossou, E, Haertlein, M, Mitchell, E.P, Forsyth, V.T. | Deposit date: | 2017-07-31 | Release date: | 2018-09-05 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (0.747 Å) | Cite: | The cryofrozen atomic resolution X-ray crystal structure of the reduced form (Fe2+) perdeuterated Pyrococcus furiosus Rubredoxin in D2O (100K, 0.75 Angstrom resolution) To Be Published
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5LHY
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![BU of 5lhy by Molmil](/molmil-images/mine/5lhy) | PB3 Domain of Human PLK4 (apo) | Descriptor: | Serine/threonine-protein kinase PLK4 | Authors: | Cottee, M.A, Johnson, S, Lea, S.M. | Deposit date: | 2016-07-13 | Release date: | 2017-03-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.31 Å) | Cite: | A key centriole assembly interaction interface between human PLK4 and STIL appears to not be conserved in flies. Biol Open, 6, 2017
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5NJ3
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![BU of 5nj3 by Molmil](/molmil-images/mine/5nj3) | Structure of an ABC transporter: complete structure | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3-Fab heavy chain, 5D3-Fab light chain, ... | Authors: | Taylor, N.M.I, Manolaridis, I, Jackson, S.M, Kowal, J, Stahlberg, H, Locher, K.P. | Deposit date: | 2017-03-28 | Release date: | 2017-06-07 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Structure of the human multidrug transporter ABCG2. Nature, 546, 2017
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5NW3
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![BU of 5nw3 by Molmil](/molmil-images/mine/5nw3) | The cryofrozen atomic resolution X-ray crystal structure of perdeuterated Pyrococcus furiosus Rubredoxin (100K, 0.59A resolution) | Descriptor: | FE (III) ION, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Cuypers, M.G, Mason, S.A, Mossou, E, Haertlein, M, Forsyth, V.T. | Deposit date: | 2017-05-04 | Release date: | 2017-06-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (0.59 Å) | Cite: | The cryofrozen atomic resolution X-ray crystal structure of perdeuterated Pyrococcus furiosus Rubredoxin (100K, 0.59A resolution) To Be Published
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6FO0
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![BU of 6fo0 by Molmil](/molmil-images/mine/6fo0) | CryoEM structure of bovine cytochrome bc1 in complex with the anti-malarial compound GSK932121 | Descriptor: | 3-chloro-6-(hydroxymethyl)-2-methyl-5-{4-[3-(trifluoromethoxy)phenoxy]phenyl}pyridin-4-ol, Chain I/V, Cytochrome b, ... | Authors: | Johnson, R.M, Amporndanai, K, O'Neill, P.M, Fishwick, C.W.G, Jamson, A.H, Rawson, S.D, Hasnain, S.S, Antonyuk, S.V, Muench, S.P. | Deposit date: | 2018-02-05 | Release date: | 2018-02-28 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery. IUCrJ, 5, 2018
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6FO2
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![BU of 6fo2 by Molmil](/molmil-images/mine/6fo2) | CryoEM structure of bovine cytochrome bc1 with no ligand bound | Descriptor: | Cytochrome b, Cytochrome b-c1 complex subunit 1, mitochondrial, ... | Authors: | Johnson, R.M, Amporndanai, K, O'Neill, P.M, Fishwick, C.W.G, Jamson, A.H, Rawson, S.D, Hasnain, S.S, Antonyuk, S.V, Muench, S.P. | Deposit date: | 2018-02-05 | Release date: | 2018-02-28 | Last modified: | 2019-12-11 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | X-ray and cryo-EM structures of inhibitor-bound cytochromebc1complexes for structure-based drug discovery. IUCrJ, 5, 2018
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3N4K
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![BU of 3n4k by Molmil](/molmil-images/mine/3n4k) | Putative RNA methyltransferase from Yersinia pestis in complex with S-ADENOSYL-L-HOMOCYSTEINE. | Descriptor: | RNA methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Osipiuk, J, Maltseva, N, Peterson, S, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-05-21 | Release date: | 2010-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | X-ray crystal structure of putative RNA methyltransferase from Yersinia pestis. To be Published
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3LDV
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![BU of 3ldv by Molmil](/molmil-images/mine/3ldv) | 1.77 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase from Vibrio cholerae O1 biovar eltor str. N16961 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Orotidine 5'-phosphate decarboxylase | Authors: | Halavaty, A.S, Shuvalova, L, Minasov, G, Dubrovska, I, Winsor, J, Glass, E.M, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-01-13 | Release date: | 2010-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | 1.77 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase from Vibrio cholerae O1 biovar eltor str. N16961 To be Published
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3LXM
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![BU of 3lxm by Molmil](/molmil-images/mine/3lxm) | 2.00 Angstrom resolution crystal structure of a catalytic subunit of an aspartate carbamoyltransferase (pyrB) from Yersinia pestis CO92 | Descriptor: | Aspartate carbamoyltransferase, TETRAETHYLENE GLYCOL | Authors: | Halavaty, A.S, Minasov, G, Dubrovska, I, Winsor, J, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-02-25 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2.00 Angstrom resolution crystal structure of a catalytic subunit of an aspartate carbamoyltransferase (pyrB) from Yersinia pestis CO92 To be Published
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3K96
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![BU of 3k96 by Molmil](/molmil-images/mine/3k96) | 2.1 Angstrom resolution crystal structure of glycerol-3-phosphate dehydrogenase (gpsA) from Coxiella burnetii | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-MERCAPTOETHANOL, Glycerol-3-phosphate dehydrogenase [NAD(P)+] | Authors: | Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-10-15 | Release date: | 2009-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 2.1 Angstrom Resolution Crystal Structure of Glycerol-3-phosphate Dehydrogenase (gpsA) from Coxiella burnetii. TO BE PUBLISHED
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3N2I
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![BU of 3n2i by Molmil](/molmil-images/mine/3n2i) | 2.25 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with thymidine | Descriptor: | CHLORIDE ION, THYMIDINE, Thymidylate kinase | Authors: | Halavaty, A.S, Minasov, G, Shuvalova, L, Winsor, J, Dubrovska, I, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2010-05-18 | Release date: | 2010-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | 2.25 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with thymidine To be Published
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6NKZ
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6NKT
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6NKY
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6NKV
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5KTB
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6NKX
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6NKR
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![BU of 6nkr by Molmil](/molmil-images/mine/6nkr) | Ternary complex crystal structure of K289M variant of DNA polymerase Beta with dGTP | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*CP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | Authors: | Batra, V.K, Wilson, S.H. | Deposit date: | 2019-01-07 | Release date: | 2020-01-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Revealing an Internal Stabilization Deficiency in the DNA Polymerase beta K289M Cancer Variant through the Combined Use of Chemical Biology and X-ray Crystallography. Biochemistry, 59, 2020
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6NKU
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5HXM
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![BU of 5hxm by Molmil](/molmil-images/mine/5hxm) | Cycloalternan-forming enzyme from Listeria monocytogenes in complex with panose | Descriptor: | Alpha-xylosidase, CALCIUM ION, CHLORIDE ION, ... | Authors: | Halavaty, A.S, Light, S.H, Minasov, G, Winsor, J, Grimshaw, S, Shuvalova, L, Peterson, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2016-01-31 | Release date: | 2017-01-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Transferase Versus Hydrolase: The Role of Conformational Flexibility in Reaction Specificity. Structure, 25, 2017
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