6Q3G
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![BU of 6q3g by Molmil](/molmil-images/mine/6q3g) | Structure of native bacteriophage P68 | Descriptor: | Arstotzka protein, Head fiber protein, Inner core protein, ... | Authors: | Dominik, H, Karel, S, Fuzik, T, Plevka, P. | Deposit date: | 2018-12-04 | Release date: | 2019-11-06 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure and genome ejection mechanism ofStaphylococcus aureusphage P68. Sci Adv, 5, 2019
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1Z42
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![BU of 1z42 by Molmil](/molmil-images/mine/1z42) | Crystal structure of oxidized YqjM from Bacillus subtilis complexed with p-hydroxybenzaldehyde | Descriptor: | FLAVIN MONONUCLEOTIDE, P-HYDROXYBENZALDEHYDE, Probable NADH-dependent flavin oxidoreductase yqjM, ... | Authors: | Kitzing, K, Fitzpatrick, T.B, Wilken, C, Sawa, J, Bourenkov, G.P, Macheroux, P, Clausen, T. | Deposit date: | 2005-03-15 | Release date: | 2005-05-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | The 1.3 A Crystal Structure of the Flavoprotein YqjM Reveals a Novel Class of Old Yellow Enzymes J.Biol.Chem., 280, 2005
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4APZ
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![BU of 4apz by Molmil](/molmil-images/mine/4apz) | Structure of B. subtilis genomic dUTPase YncF in complex with dU, PPi and Mg in P1 | Descriptor: | 2'-DEOXYURIDINE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Garcia-Nafria, J, Timm, J, Harrison, C, Turkenburg, J.P, Wilson, K.S. | Deposit date: | 2012-04-11 | Release date: | 2013-04-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Tying Down the Arm in Bacillus Dutpase: Structure and Mechanism Acta Crystallogr.,Sect.D, 69, 2013
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5D08
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![BU of 5d08 by Molmil](/molmil-images/mine/5d08) | Crystal structure of selenomethionine-labeled epoxyqueuosine reductase | Descriptor: | CHLORIDE ION, COBALAMIN, Epoxyqueuosine reductase, ... | Authors: | Dowling, D.P, Miles, Z.D, Kohrer, C, Bandarian, V, Drennan, C.L. | Deposit date: | 2015-08-02 | Release date: | 2016-09-28 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (1.747 Å) | Cite: | Molecular basis of cobalamin-dependent RNA modification. Nucleic Acids Res., 44, 2016
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6YUU
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![BU of 6yuu by Molmil](/molmil-images/mine/6yuu) | Crystal structure of M. tuberculosis InhA inhibited by SKTS1 | Descriptor: | 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Eltschkner, S, Schiebel, J, Kehrein, J, Le, T.A, Davoodi, S, Merget, B, Weinrich, J.D, Tonge, P.J, Engels, B, Sotriffer, C.A, Kisker, C. | Deposit date: | 2020-04-27 | Release date: | 2021-03-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure. Acs Infect Dis., 7, 2021
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1GH7
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![BU of 1gh7 by Molmil](/molmil-images/mine/1gh7) | CRYSTAL STRUCTURE OF THE COMPLETE EXTRACELLULAR DOMAIN OF THE BETA-COMMON RECEPTOR OF IL-3, IL-5, AND GM-CSF | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CYTOKINE RECEPTOR COMMON BETA CHAIN, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Carr, P.D, Gustin, S.E, Church, A.P, Murphy, J.M, Ford, S.C, Mann, D.A, Woltring, D.M, Walker, I, Ollis, D.L, Young, I.G. | Deposit date: | 2000-11-27 | Release date: | 2001-11-28 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the complete extracellular domain of the common beta subunit of the human GM-CSF, IL-3, and IL-5 receptors reveals a novel dimer configuration. Cell(Cambridge,Mass.), 104, 2001
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7TZI
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![BU of 7tzi by Molmil](/molmil-images/mine/7tzi) | Structure of a pseudomurein peptide ligase type E from Methanothermobacter thermautotrophicus | Descriptor: | Mur ligase family protein | Authors: | Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S, Subedi, B.P. | Deposit date: | 2022-02-15 | Release date: | 2022-10-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.911 Å) | Cite: | Structural characterisation of methanogen pseudomurein cell wall peptide ligases homologous to bacterial MurE/F murein peptide ligases. Microbiology (Reading, Engl.), 168, 2022
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5WO2
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![BU of 5wo2 by Molmil](/molmil-images/mine/5wo2) | Chaperone Spy bound to Casein Fragment (Casein un-modeled) | Descriptor: | CHLORIDE ION, IMIDAZOLE, Periplasmic chaperone Spy, ... | Authors: | Horowitz, S, Koldewey, P, Martin, R, Bardwell, J.C.A. | Deposit date: | 2017-08-01 | Release date: | 2017-08-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.769 Å) | Cite: | Visualizing chaperone-assisted protein folding. Nat. Struct. Mol. Biol., 23, 2016
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6Z0C
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![BU of 6z0c by Molmil](/molmil-images/mine/6z0c) | Structure of in silico modelled artificial Maquette-3 protein | Descriptor: | Maquette-3, POTASSIUM ION | Authors: | Baumgart, M, Roepke, M, Muehlbauer, M.E, Asami, S, Mader, S.L, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I. | Deposit date: | 2020-05-08 | Release date: | 2021-03-17 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Design of buried charged networks in artificial proteins Nat Commun, 12, 2021
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7LQD
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![BU of 7lqd by Molmil](/molmil-images/mine/7lqd) | Structure of Human MPS1 (TTK) covalently bound to RMS-07 inhibitor | Descriptor: | 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Dual specificity protein kinase TTK or monopolar spindle 1 kinase, GLYCEROL, ... | Authors: | Santiago, A.S, dos Reis, C.V, Serafim, R.A.M, Massirer, K.B, Arruda, P, Edwards, A.M, Counago, R.M, Structural Genomics Consortium (SGC) | Deposit date: | 2021-02-13 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Development of the First Covalent Monopolar Spindle Kinase 1 (MPS1/TTK) Inhibitor. J.Med.Chem., 65, 2022
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6Z35
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![BU of 6z35 by Molmil](/molmil-images/mine/6z35) | De-novo Maquette 2 protein with buried ion-pair | Descriptor: | Maquette 2-1ip | Authors: | Baumgart, M, Roepke, M, Muehlbauer, M, Asami, S, Mader, S, Fredriksson, K, Groll, M, Gamiz-Hernandez, A.P, Kaila, V.R.I. | Deposit date: | 2020-05-19 | Release date: | 2021-04-07 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Design of buried charged networks in artificial proteins. Nat Commun, 12, 2021
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7TQN
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6HLO
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![BU of 6hlo by Molmil](/molmil-images/mine/6hlo) | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Aprepitant | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 5-[[(2~{R},3~{S})-2-[(1~{R})-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydro-1,2,4-triazol-3-one, CITRIC ACID, ... | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists. Nat Commun, 10, 2019
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6Z5G
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![BU of 6z5g by Molmil](/molmil-images/mine/6z5g) | The RSL - sulfonato-calix[8]arene complex, I23 form, citrate pH 4.0, solved by S-SAD | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | Authors: | Engilberge, S, Ramberg, K, Crowley, P.B. | Deposit date: | 2020-05-26 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.278 Å) | Cite: | Facile Fabrication of Protein-Macrocycle Frameworks. J.Am.Chem.Soc., 143, 2021
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5FTG
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![BU of 5ftg by Molmil](/molmil-images/mine/5ftg) | Human choline kinase a1 in complex with compound 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1- yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N- dimethyl-pyridin-4-amine (compound 10a) | Descriptor: | 1,2-ETHANEDIOL, 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine, CHOLINE KINASE ALPHA | Authors: | Schiaffino-Ortega, S, Baglioni, E, Mariotto, E, Bortolozzi, R, Serran-Aguilera, L, Rios-Marco, P, Carrasco-Jimenez, M.P, Gallo, M.A, Hurtado-Guerrero, R, Marco, C, Basso, G, Viola, G, Entrena, A, Lopez-Cara, L.C. | Deposit date: | 2016-01-13 | Release date: | 2016-03-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Design, Synthesis, Crystallization and Biological Evaluation of New Symmetrical Biscationic Compounds as Selective Inhibitors of Human Choline Kinase Alpha1 (Chokalpha1) Sci.Rep., 6, 2016
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6Z5M
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![BU of 6z5m by Molmil](/molmil-images/mine/6z5m) | The RSL - sulfonato-calix[8]arene complex, I23 form, Gly-HCl pH 2.2 | Descriptor: | Fucose-binding lectin protein, GLYCEROL, beta-D-fructopyranose, ... | Authors: | Ramberg, K, Engilberge, S, Crowley, P.B. | Deposit date: | 2020-05-26 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Facile Fabrication of Protein-Macrocycle Frameworks. J.Am.Chem.Soc., 143, 2021
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7TQO
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4ET8
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![BU of 4et8 by Molmil](/molmil-images/mine/4et8) | Hen egg-white lysozyme solved from 40 fs free-electron laser pulse data | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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7TQP
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![BU of 7tqp by Molmil](/molmil-images/mine/7tqp) | Structure of human TREX1 | Descriptor: | SULFATE ION, Three-prime repair exonuclease 1 | Authors: | Zhou, W, Richmond-Buccola, D, Kranzusch, P.J. | Deposit date: | 2022-01-26 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis of human TREX1 DNA degradation and autoimmune disease. Nat Commun, 13, 2022
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7C70
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![BU of 7c70 by Molmil](/molmil-images/mine/7c70) | Crystal structure of beta-glycosides-binding protein (W67A) of ABC transporter in an open-liganded state bound to gentiobiose | Descriptor: | 1,2-ETHANEDIOL, CARBON DIOXIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kanaujia, S.P, Chandravanshi, M, Samanta, R. | Deposit date: | 2020-05-22 | Release date: | 2020-09-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Conformational Trapping of a beta-Glucosides-Binding Protein Unveils the Selective Two-Step Ligand-Binding Mechanism of ABC Importers. J.Mol.Biol., 432, 2020
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1JES
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![BU of 1jes by Molmil](/molmil-images/mine/1jes) | Crystal Structure of a Copper-Mediated Base Pair in DNA | Descriptor: | 5'-D(*CP*GP*CP*GP*(DPY)P*AP*TP*(DRP)P*CP*GP*CP*G)-3', COPPER (II) ION | Authors: | Atwell, S, Meggers, E, Spraggon, G, Schultz, P.G. | Deposit date: | 2001-06-18 | Release date: | 2001-11-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure of a Copper-Mediated Base Pair in DNA J.Am.Chem.Soc., 123, 2001
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6W03
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![BU of 6w03 by Molmil](/molmil-images/mine/6w03) | |
3N8F
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![BU of 3n8f by Molmil](/molmil-images/mine/3n8f) | Crystal structure of the complex of goat lactoperoxidase with thiocyanate at 3.2 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lactoperoxidase, ... | Authors: | Vikram, G, Singh, A.K, Singh, R.P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2010-05-28 | Release date: | 2010-07-14 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Crystal structure of the complex of goat lactoperoxidase with thiocyanate at 3.2 A resolution To be Published
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4ETB
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![BU of 4etb by Molmil](/molmil-images/mine/4etb) | lysozyme, room temperature, 200 kGy dose | Descriptor: | CHLORIDE ION, Lysozyme C | Authors: | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | Deposit date: | 2012-04-24 | Release date: | 2012-06-13 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.908 Å) | Cite: | High-resolution protein structure determination by serial femtosecond crystallography. Science, 337, 2012
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7Y3U
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![BU of 7y3u by Molmil](/molmil-images/mine/7y3u) | Crystal structure of the complex of Lactoperoxidase with Nitric oxide at 2.50A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Singh, P.K, Viswanathan, V, Ahmad, N, Rani, C, Sharma, P, Sharma, S, Singh, T.P. | Deposit date: | 2022-06-13 | Release date: | 2022-06-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the complex of Lactoperoxidase with Nitric oxide at 2.50A resolution To Be Published
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