5M6R
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![BU of 5m6r by Molmil](/molmil-images/mine/5m6r) | Human porphobilinogen deaminase in complex with reaction intermediate | Descriptor: | 3-[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-5-[[4-(2-hydroxy-2-oxoethyl)-3-(3-hydroxy-3-oxopropyl)-5-methyl-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-3-(3-hydroxy-3-oxopropyl)-1~{H}-pyrrol-2-yl]methyl]-1~{H}-pyrrol-3-yl]propanoic acid, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHOSPHATE ION, ... | Authors: | Pluta, P, Millet, O, Roversi, P, Rojas, A.L, Gu, S. | Deposit date: | 2016-10-25 | Release date: | 2017-11-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Structural basis of pyrrole polymerization in human porphobilinogen deaminase. Biochim Biophys Acta Gen Subj, 1862, 2018
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6YD9
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![BU of 6yd9 by Molmil](/molmil-images/mine/6yd9) | Ecoli GyrB24 with inhibitor 16a | Descriptor: | 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide | Authors: | Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J. | Deposit date: | 2020-03-20 | Release date: | 2020-12-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors. Acs Med.Chem.Lett., 11, 2020
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6P3H
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![BU of 6p3h by Molmil](/molmil-images/mine/6p3h) | Crystal structure of LigU(K66M) bound to substrate | Descriptor: | (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid, (4E)-oxalomesaconate Delta-isomerase, CHLORIDE ION | Authors: | Cory, S.A, Hogancamp, T.N, Raushel, F.M, Barondeau, D.P. | Deposit date: | 2019-05-23 | Release date: | 2019-07-31 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structure and Chemical Reaction Mechanism of LigU, an Enzyme That Catalyzes an Allylic Isomerization in the Bacterial Degradation of Lignin. Biochemistry, 58, 2019
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8P1F
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![BU of 8p1f by Molmil](/molmil-images/mine/8p1f) | X-ray structure of acetylcholine-binding protein (AChBP) in complex with FL001909. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-azanyl-1-phenyl-piperidine-4-carboxylic acid, Acetylcholine-binding protein | Authors: | Cederfelt, D, Boronat, P, Dobritzsch, D, Hennig, S, Fitzgerald, E.A, de Esch, I.J.P, Danielson, U.H. | Deposit date: | 2023-05-12 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Elucidating the regulation of ligand gated ion channels via biophysical studies of ligand-induced conformational dynamics of acetylcholine binding proteins To Be Published
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6VAA
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![BU of 6vaa by Molmil](/molmil-images/mine/6vaa) | Structure of the Fanconi Anemia ID complex bound to ICL DNA | Descriptor: | DNA (26-MER), DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ... | Authors: | Pavletich, N.P. | Deposit date: | 2019-12-17 | Release date: | 2020-03-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | DNA clamp function of the monoubiquitinated Fanconi anaemia ID complex. Nature, 580, 2020
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7T9W
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![BU of 7t9w by Molmil](/molmil-images/mine/7t9w) | Crystal structure of the Nsp3 bSM (Betacoronavirus-Specific Marker) domain from SARS-CoV-2 | Descriptor: | CHLORIDE ION, GLYCEROL, Papain-like protease nsp3 | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-12-20 | Release date: | 2021-12-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the Nsp3 bSM (Betacoronavirus-Specific Marker) domain from SARS-CoV-2 To Be Published
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5MPM
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![BU of 5mpm by Molmil](/molmil-images/mine/5mpm) | SERCA2a from pig heart | Descriptor: | (6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-CD]INDOL-11-ONE, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Drachmann, N.D, Sitsel, A, Andersen, J.L, Nissen, P, Olesen, C. | Deposit date: | 2016-12-16 | Release date: | 2018-01-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structures of the heart specific SERCA2a Ca2+-ATPase. Embo J., 38, 2019
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5MQ4
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![BU of 5mq4 by Molmil](/molmil-images/mine/5mq4) | Crystal Structure of the leucine zipper of human PRKCBP1 | Descriptor: | Protein kinase C-binding protein 1, SULFATE ION, ZINC ION | Authors: | Krojer, T, Savitsky, P, Picaud, S, Newman, J, Tallant, C, Heroven, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P. | Deposit date: | 2016-12-20 | Release date: | 2017-01-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of the leucine zipper of human PRKCBP1 To Be Published
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1AUT
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![BU of 1aut by Molmil](/molmil-images/mine/1aut) | Human activated protein C | Descriptor: | ACTIVATED PROTEIN C, D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide | Authors: | Mather, T, Oganessyan, V, Hof, P, Bode, W, Huber, R, Foundling, S, Esmon, C. | Deposit date: | 1996-06-08 | Release date: | 1997-08-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The 2.8 A crystal structure of Gla-domainless activated protein C. EMBO J., 15, 1996
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6Y7Q
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![BU of 6y7q by Molmil](/molmil-images/mine/6y7q) | Crystal Structure of the N-terminal PAS domain from the hERG3 Potassium Channel | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Potassium voltage-gated channel subfamily H member 7 | Authors: | Cresser-Brown, J, Raven, E, Moody, P. | Deposit date: | 2020-03-02 | Release date: | 2020-08-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Discovery of a heme-binding domain in a neuronal voltage-gated potassium channel. J.Biol.Chem., 295, 2020
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1B2Z
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![BU of 1b2z by Molmil](/molmil-images/mine/1b2z) | DELETION OF A BURIED SALT BRIDGE IN BARNASE | Descriptor: | PROTEIN (BARNASE), ZINC ION | Authors: | Vaughan, C.K, Harryson, P, Buckle, A.M, Oliveberg, M, Fersht, A.R. | Deposit date: | 1998-12-03 | Release date: | 1998-12-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | A structural double-mutant cycle: estimating the strength of a buried salt bridge in barnase. Acta Crystallogr.,Sect.D, 58, 2002
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7ZKI
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![BU of 7zki by Molmil](/molmil-images/mine/7zki) | Cryo-EM structure of aIF1A:aIF5B:Met-tRNAiMet complex from a Pyrococcus abyssi 30S initiation complex | Descriptor: | MAGNESIUM ION, METHIONINE, Met-tRNAiMet, ... | Authors: | Coureux, P.D, Bourgeois, G, Mechulam, Y, Schmitt, E, Kazan, R. | Deposit date: | 2022-04-13 | Release date: | 2022-07-20 | Last modified: | 2022-08-31 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Role of aIF5B in archaeal translation initiation. Nucleic Acids Res., 50, 2022
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1APB
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7JQM
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![BU of 7jqm by Molmil](/molmil-images/mine/7jqm) | Crystal structure of the Thermus thermophilus 70S ribosome in complex with Bac7-002, mRNA, and deacylated P-site tRNA at 3.05A resolution | Descriptor: | 16S Ribosomal RNA, 23S Ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Mardirossian, M, Sola, R, Beckert, B, Valencic, E, Collis, D.W.P, Borisek, J, Armas, F, Di Stasi, A, Buchmann, J, Syroegin, E.A, Polikanov, Y.S, Magistrato, A, Hilpert, K, Wilson, D.N, Scocchi, M. | Deposit date: | 2020-08-11 | Release date: | 2020-08-26 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Peptide Inhibitors of Bacterial Protein Synthesis with Broad Spectrum and SbmA-Independent Bactericidal Activity against Clinical Pathogens. J.Med.Chem., 63, 2020
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6SCS
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1B38
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![BU of 1b38 by Molmil](/molmil-images/mine/1b38) | HUMAN CYCLIN-DEPENDENT KINASE 2 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROTEIN (CELL DIVISION PROTEIN KINASE 2) | Authors: | Brown, N.R, Noble, M.E.M, Lawrie, A.M, Morris, M.C, Tunnah, P, Divita, G, Johnson, L.N, Endicott, J.A. | Deposit date: | 1998-12-17 | Release date: | 1998-12-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Effects of phosphorylation of threonine 160 on cyclin-dependent kinase 2 structure and activity. J.Biol.Chem., 274, 1999
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6GTD
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![BU of 6gtd by Molmil](/molmil-images/mine/6gtd) | Transient state structure of CRISPR-Cpf1 (Cas12a) I2 conformation | Descriptor: | CRISPR-associated endonuclease Cas12a, DNA (5'-D(P*CP*GP*AP*GP*CP*TP*CP*GP*TP*TP*AP*GP*AP*GP*AP*AP*GP*T)-3'), DNA (5'-D(P*TP*GP*AP*CP*TP*TP*CP*TP*CP*TP*AP*AP*CP*AP*AP*GP*CP*TP*CP*G)-3'), ... | Authors: | Montoya, G, Mesa, P. | Deposit date: | 2018-06-18 | Release date: | 2018-12-19 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.24 Å) | Cite: | Conformational Activation Promotes CRISPR-Cas12a Catalysis and Resetting of the Endonuclease Activity. Cell, 175, 2018
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8UKU
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![BU of 8uku by Molmil](/molmil-images/mine/8uku) | RNA polymerase II elongation complex with Fapy-dG lesion with CMP added | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | Authors: | Hou, P, Oh, J, Wang, D. | Deposit date: | 2023-10-15 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG. J.Am.Chem.Soc., 146, 2024
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5MFI
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![BU of 5mfi by Molmil](/molmil-images/mine/5mfi) | Designed armadillo repeat protein YIII(Dq.V2)4CqI in complex with peptide (KR)4 | Descriptor: | (KR)4, YIII(Dq.V2)4CqI | Authors: | Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A. | Deposit date: | 2016-11-18 | Release date: | 2017-09-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Curvature of designed armadillo repeat proteins allows modular peptide binding. J. Struct. Biol., 201, 2018
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5MFK
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![BU of 5mfk by Molmil](/molmil-images/mine/5mfk) | Designed armadillo repeat protein YIII(Dq.V1)4CPAF in complex with peptide (KR)4 | Descriptor: | (KR)4, YIII(Dq.V1)4CPAF | Authors: | Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A. | Deposit date: | 2016-11-18 | Release date: | 2017-09-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Curvature of designed armadillo repeat proteins allows modular peptide binding. J. Struct. Biol., 201, 2018
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5MND
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1BK0
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![BU of 1bk0 by Molmil](/molmil-images/mine/1bk0) | ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (ACV-FE COMPLEX) | Descriptor: | FE (III) ION, ISOPENICILLIN N SYNTHASE, L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE, ... | Authors: | Roach, P.L, Clifton, I.J, Hensgens, C.M.H, Shibata, N, Schofield, C.J, Hajdu, J, Baldwin, J.E. | Deposit date: | 1998-07-14 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure of isopenicillin N synthase complexed with substrate and the mechanism of penicillin formation. Nature, 387, 1997
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4XK0
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![BU of 4xk0 by Molmil](/molmil-images/mine/4xk0) | Crystal structure of a tetramolecular RNA G-quadruplex in potassium | Descriptor: | BARIUM ION, POTASSIUM ION, RNA (5'-(*UP*GP*GP*GP*GP*U)-3') | Authors: | Chen, M.C, Murat, P, Abecassis, K.A, Ferre-D'Amare, A.R, Balasubramanian, S. | Deposit date: | 2015-01-09 | Release date: | 2015-02-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Insights into the mechanism of a G-quadruplex-unwinding DEAH-box helicase. Nucleic Acids Res., 43, 2015
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8UKQ
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![BU of 8ukq by Molmil](/molmil-images/mine/8ukq) | RNA polymerase II elongation complex with Fapy-dG lesion in apo state | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | Authors: | Hou, P, Oh, J, Wang, D. | Deposit date: | 2023-10-15 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG. J.Am.Chem.Soc., 146, 2024
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8UKR
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![BU of 8ukr by Molmil](/molmil-images/mine/8ukr) | RNA polymerase II elongation complex with Fapy-dG lesion soaking with ATP before chemistry | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ... | Authors: | Hou, P, Oh, J, Wang, D. | Deposit date: | 2023-10-15 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (3.78 Å) | Cite: | Molecular Mechanism of RNA Polymerase II Transcriptional Mutagenesis by the Epimerizable DNA Lesion, Fapy·dG. J.Am.Chem.Soc., 146, 2024
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