6XKU
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![BU of 6xku by Molmil](/molmil-images/mine/6xku) | R. capsulatus cyt bc1 with one FeS protein in b position and one in c position (CIII2 b-c) | Descriptor: | Cytochrome b, Cytochrome c1, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | Deposit date: | 2020-06-27 | Release date: | 2020-12-30 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes. Nat Commun, 12, 2021
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6XKZ
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![BU of 6xkz by Molmil](/molmil-images/mine/6xkz) | R. capsulatus CIII2CIV tripartite super-complex, conformation B (SC-1B) | Descriptor: | COPPER (II) ION, Cbb3-type cytochrome c oxidase subunit CcoP,Cytochrome c-type cyt cy, Cytochrome b, ... | Authors: | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | Deposit date: | 2020-06-27 | Release date: | 2020-12-30 | Last modified: | 2021-03-03 | Method: | ELECTRON MICROSCOPY (7.2 Å) | Cite: | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes. Nat Commun, 12, 2021
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6O6A
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![BU of 6o6a by Molmil](/molmil-images/mine/6o6a) | Structure of the TRPM8 cold receptor by single particle electron cryo-microscopy, ligand-free state | Descriptor: | CHOLESTEROL HEMISUCCINATE, SODIUM ION, Transient receptor potential cation channel subfamily M member 8 | Authors: | Diver, M.M, Cheng, Y, Julius, D. | Deposit date: | 2019-03-05 | Release date: | 2019-09-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural insights into TRPM8 inhibition and desensitization. Science, 365, 2019
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4X2G
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![BU of 4x2g by Molmil](/molmil-images/mine/4x2g) | Selection of fragments for kinase inhibitor design: decoration is key | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[(4-aminophenyl)amino]pyrido[2,3-d]pyrimidin-5(6H)-one, SULFATE ION, ... | Authors: | Czodrowski, P, Hoelzemann, G, Barnickel, G, Greiner, H, Musil, D. | Deposit date: | 2014-11-26 | Release date: | 2015-08-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Selection of fragments for kinase inhibitor design: decoration is key. J.Med.Chem., 58, 2015
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5HYL
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![BU of 5hyl by Molmil](/molmil-images/mine/5hyl) | Crystal structure of DR2231_E47A mutant in complex with dUMPNPP and magnesium | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DR2231, MAGNESIUM ION | Authors: | Mota, C.S, Goncalves, A.M.D, de Sanctis, D. | Deposit date: | 2016-02-01 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Deinococcus radiodurans DR2231 is a two-metal-ion mechanism hydrolase with exclusive activity on dUTP. FEBS J., 283, 2016
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8RS5
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![BU of 8rs5 by Molmil](/molmil-images/mine/8rs5) | |
8RWL
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![BU of 8rwl by Molmil](/molmil-images/mine/8rwl) | Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 1 | Descriptor: | CHLORIDE ION, GLYCEROL, Malate dehydrogenase, ... | Authors: | Coquille, S, Roche, J, Engilberge, S, Girard, E, Madern, D. | Deposit date: | 2024-02-05 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Navigating the conformational landscape of an enzyme. Stabilization of a low populated conformer by evolutionary mutations triggers Allostery into a non-allosteric enzyme. To Be Published
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6RFN
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![BU of 6rfn by Molmil](/molmil-images/mine/6rfn) | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1018 | Descriptor: | 3-[5-[(4~{a}~{R},8~{a}~{S})-4-oxidanylidene-3-propan-2-yl-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-yl]-2-methoxy-phenyl]-~{N}-(3-methoxyphenyl)prop-2-ynamide, FORMIC ACID, GLYCEROL, ... | Authors: | Singh, A.K, Brown, D.G. | Deposit date: | 2019-04-15 | Release date: | 2019-07-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Alkynamide phthalazinones as a new class of TbrPDEB1 inhibitors (Part 2). Bioorg.Med.Chem., 27, 2019
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7DRT
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![BU of 7drt by Molmil](/molmil-images/mine/7drt) | Human Wntless in complex with Wnt3a | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhong, Q, Zhao, Y, Ye, F, Xiao, Z, Huang, G, Zhang, Y, Lu, P, Xu, W, Zhou, Q, Ma, D. | Deposit date: | 2020-12-29 | Release date: | 2021-07-14 | Last modified: | 2021-09-08 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Cryo-EM structure of human Wntless in complex with Wnt3a. Nat Commun, 12, 2021
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8BEY
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![BU of 8bey by Molmil](/molmil-images/mine/8bey) | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein at pH 7 | Descriptor: | Cry49Aa protein | Authors: | Williamson, L.J, Rizkallah, P.J, Berry, C, Oberthur, D, Galchenkova, M, Yefanov, O, Bean, R. | Deposit date: | 2022-10-22 | Release date: | 2023-11-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX. Proc.Natl.Acad.Sci.USA, 120, 2023
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6EER
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![BU of 6eer by Molmil](/molmil-images/mine/6eer) | Structure of glycine-bound GoxA from Pseudoalteromonas luteoviolacea | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GoxA, ... | Authors: | Yukl, E.T, Avalos, D. | Deposit date: | 2018-08-15 | Release date: | 2019-01-16 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural and Spectroscopic Characterization of a Product Schiff Base Intermediate in the Reaction of the Quinoprotein Glycine Oxidase, GoxA. Biochemistry, 58, 2019
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7A9A
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![BU of 7a9a by Molmil](/molmil-images/mine/7a9a) | Crystal structure of rubredoxin B (Rv3250c) from Mycobacterium tuberculosis | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Vakhrameev, D, Kavaleuski, A, Bukhdruker, S, Marin, E, Sushko, T, Grabovec, I.P, Gilep, A, Strushkevich, N, Borshchevskiy, V. | Deposit date: | 2020-09-01 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | A new twist of rubredoxin function in M. tuberculosis. Bioorg.Chem., 109, 2021
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5DXU
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![BU of 5dxu by Molmil](/molmil-images/mine/5dxu) | p110delta/p85alpha with GDC-0326 | Descriptor: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | Deposit date: | 2015-09-23 | Release date: | 2016-01-27 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326). J.Med.Chem., 59, 2016
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6RMQ
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![BU of 6rmq by Molmil](/molmil-images/mine/6rmq) | Crystal structure of a selenomethionine-substituted A70M I84M mutant of the essential repressor DdrO from radiation resistant-Deinococcus bacteria (Deinococcus deserti) | Descriptor: | HTH-type transcriptional regulator DdrOC | Authors: | Arnoux, P, Siponen, M.I, Pignol, D, De Groot, A, Blanchard, L. | Deposit date: | 2019-05-07 | Release date: | 2019-10-09 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of the transcriptional repressor DdrO: insight into the metalloprotease/repressor-controlled radiation response in Deinococcus. Nucleic Acids Res., 47, 2019
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8BEX
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![BU of 8bex by Molmil](/molmil-images/mine/8bex) | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein at pH 3 | Descriptor: | Cry49Aa protein | Authors: | Williamson, L.J, Rizkallah, P.J, Berry, C, Oberthur, D, Galchenkova, M, Yefanov, O, Bean, R. | Deposit date: | 2022-10-22 | Release date: | 2023-11-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX. Proc.Natl.Acad.Sci.USA, 120, 2023
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5DSD
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![BU of 5dsd by Molmil](/molmil-images/mine/5dsd) | The crystal structure of the C-terminal domain of Ebola (Bundibugyo) nucleoprotein | Descriptor: | CHLORIDE ION, GLYCEROL, Nucleoprotein | Authors: | Baker, L, Handing, K.B, Utepbergenov, D, Derewenda, U, Derewenda, Z.S. | Deposit date: | 2015-09-17 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Molecular architecture of the nucleoprotein C-terminal domain from the Ebola and Marburg viruses. Acta Crystallogr D Struct Biol, 72, 2016
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8BEZ
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![BU of 8bez by Molmil](/molmil-images/mine/8bez) | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein at pH 11 | Descriptor: | Cry49Aa protein | Authors: | Williamson, L.J, Rizkallah, P.J, Berry, C, Oberthur, D, Galchenkova, M, Yefanov, O, Bean, R. | Deposit date: | 2022-10-22 | Release date: | 2023-11-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure of the Lysinibacillus sphaericus Tpp49Aa1 pesticidal protein elucidated from natural crystals using MHz-SFX. Proc.Natl.Acad.Sci.USA, 120, 2023
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3GTK
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![BU of 3gtk by Molmil](/molmil-images/mine/3gtk) | Backtracked RNA polymerase II complex with 18mer RNA | Descriptor: | DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ... | Authors: | Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D. | Deposit date: | 2009-03-27 | Release date: | 2009-06-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution. Science, 324, 2009
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8SWJ
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![BU of 8swj by Molmil](/molmil-images/mine/8swj) | Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531 | Descriptor: | (3S)-N-(4'-carbamoyl[1,1'-biphenyl]-3-yl)-1-[4-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-3-carboxamide, TP53-binding protein 1, UNKNOWN ATOM OR ION | Authors: | Zeng, H, Dong, A, Shell, D.J, Foley, C, Pearce, K.H, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-05-18 | Release date: | 2023-08-02 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Co-crystal structure of 53BP1 tandem Tudor domains in complex with UNC8531 To be published
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5LQ6
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![BU of 5lq6 by Molmil](/molmil-images/mine/5lq6) | Salmonella effector SpvD - R161 variant | Descriptor: | SODIUM ION, Virulence protein vsdE | Authors: | Zhang, Y, Grabe, G.J, Rolhion, N, Yang, Y, Holden, D.W, Hare, S.A. | Deposit date: | 2016-08-16 | Release date: | 2016-11-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | The Salmonella Effector SpvD Is a Cysteine Hydrolase with a Serovar-specific Polymorphism Influencing Catalytic Activity, Suppression of Immune Responses, and Bacterial Virulence. J. Biol. Chem., 291, 2016
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6U0J
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![BU of 6u0j by Molmil](/molmil-images/mine/6u0j) | Crosslinked Crystal Structure of Malonyl-CoA Acyl Carrier Protein Transacylase, FabD, and Acyl Carrier Protein, AcpP | Descriptor: | 1,2-ETHANEDIOL, Acyl carrier protein, Malonyl CoA-acyl carrier protein transacylase, ... | Authors: | Mindrebo, J.T, Misson, L, Davis, T.D, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-08-14 | Release date: | 2020-07-22 | Last modified: | 2020-10-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Interfacial plasticity facilitates high reaction rate of E. coli FAS malonyl-CoA:ACP transacylase, FabD. Proc.Natl.Acad.Sci.USA, 117, 2020
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5ZUP
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![BU of 5zup by Molmil](/molmil-images/mine/5zup) | Crystal Structure of BZ junction in diverse sequence | Descriptor: | (5'-D(*AP*CP*GP*GP*TP*TP*TP*AP*TP*CP*GP*CP*GP*CP*GP*CP*G)-3'), (5'-D(*GP*TP*CP*GP*CP*GP*CP*GP*CP*AP*AP*TP*AP*AP*AP*CP*C)-3'), Double-stranded RNA-specific adenosine deaminase | Authors: | Kim, K.K, Kim, D. | Deposit date: | 2018-05-08 | Release date: | 2018-08-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Sequence preference and structural heterogeneity of BZ junctions. Nucleic Acids Res., 46, 2018
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5LDG
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![BU of 5ldg by Molmil](/molmil-images/mine/5ldg) | Isopiperitenone reductase from Mentha piperita in complex with Isopiperitenone and NADP | Descriptor: | (-)-Isopiperitenone, (-)-isopiperitenone reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S. | Deposit date: | 2016-06-26 | Release date: | 2016-08-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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4Z2Q
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![BU of 4z2q by Molmil](/molmil-images/mine/4z2q) | The crystal structure of Sclerotium Rolfsii lectin variant 1 (SSR1) in complex with N-acetyl-glucosamine | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | Authors: | Kantsadi, A.L, Peppa, V.I, Leonidas, D.D. | Deposit date: | 2015-03-30 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Cloning, Carbohydrate Specificity and the Crystal Structure of Two Sclerotium rolfsii Lectin Variants. Molecules, 20, 2015
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7NNA
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![BU of 7nna by Molmil](/molmil-images/mine/7nna) | |