4KQX
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![BU of 4kqx by Molmil](/molmil-images/mine/4kqx) | Mutant Slackia exigua KARI DDV in complex with NAD and an inhibitor | Descriptor: | HISTIDINE, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | Authors: | Brinkmann-Chen, S, Flock, T, Cahn, J.K.B, Snow, C.D, Brustad, E.M, Mcintosh, J.A, Meinhold, P, Zhang, L, Arnold, F.H. | Deposit date: | 2013-05-15 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | General approach to reversing ketol-acid reductoisomerase cofactor dependence from NADPH to NADH. Proc.Natl.Acad.Sci.USA, 110, 2013
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4GXP
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![BU of 4gxp by Molmil](/molmil-images/mine/4gxp) | Chimeric Family 1 beta-glucosidase made with non-contiguous SCHEMA | Descriptor: | Beta-glucosidase Chimeric protein | Authors: | Smith, M.A, Romero, P.A, Wu, T, Brustad, E.M, Arnold, F.H. | Deposit date: | 2012-09-04 | Release date: | 2013-01-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Chimeragenesis of distantly-related proteins by noncontiguous recombination. Protein Sci., 22, 2013
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5SZJ
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![BU of 5szj by Molmil](/molmil-images/mine/5szj) | Structure of human Rab10 in complex with the bMERB domain of Mical-cL | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, MICAL C-terminal-like protein, ... | Authors: | Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Mueller, M.P, Gazdag, E.M. | Deposit date: | 2016-08-14 | Release date: | 2016-08-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | bMERB domains are bivalent Rab8 family effectors evolved by gene duplication. Elife, 5, 2016
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5SWH
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![BU of 5swh by Molmil](/molmil-images/mine/5swh) | c-Src V281C kinase domain in complex with Rao-IV-151 | Descriptor: | (2R)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanami de, Proto-oncogene tyrosine-protein kinase Src | Authors: | Merritt, E.A, Dieter, E.M. | Deposit date: | 2016-08-08 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A combined approach reveals a regulatory mechanism coupling Src's kinase activity, localization, and phosphotransferase-independent functions Mol.Cell, 2019
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5T0P
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![BU of 5t0p by Molmil](/molmil-images/mine/5t0p) | c-Src kinase domain in complex with Rao-IV-151 | Descriptor: | (2E)-3-[4-amino-5-(4-chlorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Dieter, E.M, Merritt, E.A, Maly, D.J. | Deposit date: | 2016-08-16 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A chemical genetic method for conformation-selective kinase inhibition To Be Published
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4CFW
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![BU of 4cfw by Molmil](/molmil-images/mine/4cfw) | Structure-based design of C8-substituted O6-cyclohexylmethoxyguanine CDK1 and 2 inhibitors. | Descriptor: | 3-[2-amino-6-(cyclohexylmethoxy)-7H-purin-8-yl]-2-methylbenzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2 | Authors: | Carbain, B, Paterson, D.J, Anscombe, E, Campbell, A, Cano, C, Echalier, A, Endicott, J, Golding, B.T, Haggerty, K, Hardcastle, I.R, Jewsbury, P, Newell, D.R, Noble, M.E.M, Roche, C, Wang, L.Z, Griffin, R. | Deposit date: | 2013-11-19 | Release date: | 2013-12-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | 8-Substituted O6-Cyclohexylmethylguanine Cdk2 Inhibitors; Using Structure-Based Inhibitor Design to Optimise an Alternative Binding Mode. J.Med.Chem., 57, 2014
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4CKL
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![BU of 4ckl by Molmil](/molmil-images/mine/4ckl) | Structure of 55 kDa N-terminal domain of E. coli DNA gyrase A subunit with simocyclinone D8 bound | Descriptor: | DNA GYRASE SUBUNIT A, SIMOCYCLINONE D8 | Authors: | Hearnshaw, S.J, Edwards, M.J, Stevenson, C.E.M, Lawson, D.M, Maxwell, A. | Deposit date: | 2014-01-07 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | A New Crystal Structure of the Bifunctional Antibiotic Simocyclinone D8 Bound to DNA Gyrase Gives Fresh Insight Into the Mechanism of Inhibition. J.Mol.Biol., 426, 2014
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4BQE
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![BU of 4bqe by Molmil](/molmil-images/mine/4bqe) | Arabidopsis thaliana Cytosolic Alpha-1,4-glucan Phosphorylase (PHS2) | Descriptor: | ALPHA-GLUCAN PHOSPHORYLASE 2,4-GLUCAN PHOSPHORYLASE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | O'Neill, E.C, Rashid, A.M, Stevenson, C.E.M, Hetru, A.C, Gunning, A.P, Rejzek, M, Nepogodiev, S.A, Bornemann, S, Lawson, D.M, Field, R.A. | Deposit date: | 2013-05-30 | Release date: | 2014-02-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Sugar-Coated Sensor Chip and Nanoparticle Surfaces for the in Vitro Enzymatic Synthesis of Starch-Like Materials Chem.Sci., 5, 2014
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4EEX
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![BU of 4eex by Molmil](/molmil-images/mine/4eex) | Crystal Structure of Lactococcus lactis Alcohol Dehydrogenase | Descriptor: | Alcohol dehydrogenase 1, TETRAETHYLENE GLYCOL, ZINC ION | Authors: | Liu, X, Bastian, S, Snow, C.D, Brustad, E.M, Saleski, T, Xu, J.H, Meinhold, P, Arnold, F.H. | Deposit date: | 2012-03-28 | Release date: | 2012-09-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure-guided engineering of Lactococcus lactis alcohol dehydrogenase LlAdhA for improved conversion of isobutyraldehyde to isobutanol. J.Biotechnol., 164, 2012
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4I18
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![BU of 4i18 by Molmil](/molmil-images/mine/4i18) | Crystal structure of human prolactin receptor complexed with Fab fragment | Descriptor: | ACETATE ION, CALCIUM ION, GLYCEROL, ... | Authors: | Duguid, E.M, Mukherjee, S, Kouadio, J.L. | Deposit date: | 2012-11-20 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.238 Å) | Cite: | Engineering synthetic antibody binders for allosteric inhibition of prolactin receptor signaling. Cell Commun Signal, 13, 2015
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4KQW
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![BU of 4kqw by Molmil](/molmil-images/mine/4kqw) | The structure of the Slackia exigua KARI in complex with NADP | Descriptor: | Ketol-acid reductoisomerase, L(+)-TARTARIC ACID, MAGNESIUM ION, ... | Authors: | Brinkmann-Chen, S, Flock, T, Cahn, J.K.B, Snow, C.D, Brustad, E.M, Mcintosh, J.A, Meinhold, P, Zhang, L, Arnold, F.H. | Deposit date: | 2013-05-15 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | General approach to reversing ketol-acid reductoisomerase cofactor dependence from NADPH to NADH. Proc.Natl.Acad.Sci.USA, 110, 2013
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4KYD
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![BU of 4kyd by Molmil](/molmil-images/mine/4kyd) | Partial Structure of the C-terminal domain of the HPIV4B phosphoprotein, fused to MBP. | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, Maltose-binding periplasmic protein, Phosphoprotein, ... | Authors: | Yegambaram, K, Bulloch, E.M.M, Kingston, R.L. | Deposit date: | 2013-05-28 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Protein domain definition should allow for conditional disorder. Protein Sci., 22, 2013
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4KYC
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![BU of 4kyc by Molmil](/molmil-images/mine/4kyc) | Structure of the C-terminal domain of the Menangle virus phosphoprotein, fused to MBP. | Descriptor: | 1,2-ETHANEDIOL, BORIC ACID, Maltose-binding periplasmic protein, ... | Authors: | Yegambaram, K, Bulloch, E.M.M, Kingston, R.L. | Deposit date: | 2013-05-28 | Release date: | 2013-09-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Protein domain definition should allow for conditional disorder. Protein Sci., 22, 2013
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4L79
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![BU of 4l79 by Molmil](/molmil-images/mine/4l79) | Crystal Structure of nucleotide-free Myosin 1b residues 1-728 with bound Calmodulin | Descriptor: | Calmodulin, MAGNESIUM ION, Unconventional myosin-Ib | Authors: | Shuman, H, Zwolak, A, Dominguez, R, Ostap, E.M. | Deposit date: | 2013-06-13 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A vertebrate myosin-I structure reveals unique insights into myosin mechanochemical tuning. Proc.Natl.Acad.Sci.USA, 111, 2014
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1E91
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![BU of 1e91 by Molmil](/molmil-images/mine/1e91) | Structure of the complex of the Mad1-Sin3B interaction domains | Descriptor: | MAD PROTEIN (MAX DIMERIZER), PAIRED AMPHIPATHIC HELIX PROTEIN SIN3B | Authors: | Spronk, C.A.E.M, Tessari, M, Kaan, A.M, Jansen, J.F.A, Vermeulen, M, Stunnenberg, H.G, Vuister, G.W. | Deposit date: | 2000-10-04 | Release date: | 2000-11-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The MAD1-Sin3B Interaction Involves a Novel Helical Fold Nat.Struct.Biol., 7, 2000
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1E85
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![BU of 1e85 by Molmil](/molmil-images/mine/1e85) | Cytochrome c' from Alcaligenes xylosoxidans - reduced structure with NO bound to proximal side of heme | Descriptor: | CYTOCHROME C', HEME C, NITRIC OXIDE | Authors: | Lawson, D.M, Stevenson, C.E.M, Andrew, C.R, Eady, R.R. | Deposit date: | 2000-09-15 | Release date: | 2000-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Unprecedented Proximal Binding of Nitric Oxide to Heme: Implications for Guanylate Cyclase. Embo J., 19, 2000
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6ZT5
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![BU of 6zt5 by Molmil](/molmil-images/mine/6zt5) | Complex between a homodimer of Mycobacterium smegmatis MfpA and a single copy of the N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit | Descriptor: | DNA gyrase subunit B, Pentapeptide repeat protein MfpA, SULFATE ION | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | Deposit date: | 2020-07-17 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic. Proc.Natl.Acad.Sci.USA, 118, 2021
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6ZT3
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![BU of 6zt3 by Molmil](/molmil-images/mine/6zt3) | N-terminal 47 kDa fragment of the Mycobacterium smegmatis DNA Gyrase B subunit complexed with ADPNP | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, MAGNESIUM ION, ... | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | Deposit date: | 2020-07-17 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic. Proc.Natl.Acad.Sci.USA, 118, 2021
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6ZT4
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![BU of 6zt4 by Molmil](/molmil-images/mine/6zt4) | Pentapeptide repeat protein MfpA from Mycobacterium smegmatis | Descriptor: | 1,2-ETHANEDIOL, Pentapeptide repeat protein MfpA | Authors: | Feng, L, Mundy, J.E.A, Stevenson, C.E.M, Mitchenall, L.A, Lawson, D.M, Mi, K, Maxwell, A. | Deposit date: | 2020-07-17 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | The pentapeptide-repeat protein, MfpA, interacts with mycobacterial DNA gyrase as a DNA T-segment mimic. Proc.Natl.Acad.Sci.USA, 118, 2021
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2JSX
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![BU of 2jsx by Molmil](/molmil-images/mine/2jsx) | |
6ZUF
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![BU of 6zuf by Molmil](/molmil-images/mine/6zuf) | Urea-based Foldamer Inhibitor chimera C2 in complex with ASF1 Histone chaperone | Descriptor: | C2 foldamer/peptide hybrid inhibitor of histone chaperone ASF1, GLYCEROL, Histone chaperone ASF1A, ... | Authors: | Bakail, M, Mbianda, J, Perrin, E.M, Guerois, R, Legrand, P, Traore, S, Douat, C, Guichard, G, Ochsenbein, F. | Deposit date: | 2020-07-22 | Release date: | 2021-06-09 | Last modified: | 2024-07-10 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Optimal anchoring of a foldamer inhibitor of ASF1 histone chaperone through backbone plasticity. Sci Adv, 7, 2021
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7A1D
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![BU of 7a1d by Molmil](/molmil-images/mine/7a1d) | Cryo-EM map of the large glutamate dehydrogenase composed of 180 kDa subunits from Mycobacterium smegmatis (open conformation) | Descriptor: | NAD-specific glutamate dehydrogenase | Authors: | Lazaro, M, Melero, R, Huet, C, Lopez-Alonso, J.P, Delgado, S, Dodu, A, Bruch, E.M, Abriata, L.A, Alzari, P.M, Valle, M, Lisa, M.N. | Deposit date: | 2020-08-12 | Release date: | 2021-06-09 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.19 Å) | Cite: | 3D architecture and structural flexibility revealed in the subfamily of large glutamate dehydrogenases by a mycobacterial enzyme. Commun Biol, 4, 2021
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2DRK
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![BU of 2drk by Molmil](/molmil-images/mine/2drk) | |
1E8A
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![BU of 1e8a by Molmil](/molmil-images/mine/1e8a) | The three-dimensional structure of human S100A12 | Descriptor: | CALCIUM ION, S100A12 | Authors: | Moroz, O.V, Antson, A.A, Murshudov, G.N, Maitland, N.J, Dodson, G.G, Wilson, K.S, Skibshoj, I, Lukanidin, E.M, Bronstein, I.B. | Deposit date: | 2000-09-18 | Release date: | 2001-01-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The Three-Dimensional Structure of Human S100A12 Acta Crystallogr.,Sect.D, 57, 2001
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3NO0
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![BU of 3no0 by Molmil](/molmil-images/mine/3no0) | |