6CFF
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![BU of 6cff by Molmil](/molmil-images/mine/6cff) | Stimulator of Interferon Genes Human | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Stimulator of interferon genes protein | Authors: | Fernandez, D, Li, L, Ergun, S.L. | Deposit date: | 2018-02-14 | Release date: | 2019-03-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.396 Å) | Cite: | STING Polymer Structure Reveals Mechanisms for Activation, Hyperactivation, and Inhibition. Cell, 178, 2019
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4A0M
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![BU of 4a0m by Molmil](/molmil-images/mine/4a0m) | CRYSTAL STRUCTURE OF BETAINE ALDEHYDE DEHYDROGENASE FROM SPINACH IN COMPLEX WITH NAD | Descriptor: | BETAINE ALDEHYDE DEHYDROGENASE, CHLOROPLASTIC, GLYCEROL, ... | Authors: | Gonzalez-Segura, L, Rudino-Pinera, E, Diaz-Sanchez, A.G, Munoz-Clares, R.A. | Deposit date: | 2011-09-09 | Release date: | 2012-04-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Amino Acid Residues Critical for the Specificity for Betaine Aldehyde of the Plant Aldh10 Isoenzyme Involved in the Synthesis of Glycine Betaine. Plant Physiol., 158, 2012
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4A33
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![BU of 4a33 by Molmil](/molmil-images/mine/4a33) | CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A PYRAZOLE SULPHONAMIDE LIGAND | Descriptor: | 2,6-DICHLORO-4-(6-PIPERAZIN-1-YLPYRIDIN-3-YL)-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Brand, S, Cleghorn, L.A.T, McElroy, S.P, Smith, V.C, Hallyburton, I, Harrison, J.R, Norcross, N.R, Norval, S, Spinks, D, Stojanovski, L, Torrie, L.S, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Read, K.D, Wyatt, P.G, Gilbert, I.H. | Deposit date: | 2011-09-29 | Release date: | 2011-12-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a novel class of orally active trypanocidal N-myristoyltransferase inhibitors. J. Med. Chem., 55, 2012
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4A4C
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![BU of 4a4c by Molmil](/molmil-images/mine/4a4c) | Structure of phosphoTyr371-c-Cbl-UbcH5B-ZAP-70 complex | Descriptor: | CALCIUM ION, E3 UBIQUITIN-PROTEIN LIGASE CBL, TYROSINE-PROTEIN KINASE ZAP-70, ... | Authors: | Dou, H, Buetow, L, Hock, A, Sibbet, G.J, Vousden, K.H, Huang, D.T. | Deposit date: | 2011-10-08 | Release date: | 2012-01-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.704 Å) | Cite: | Structural Basis for Autoinhibition and Phosphorylation-Dependent Activation of C-Cbl Nat.Struct.Mol.Biol., 19, 2012
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8EY4
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![BU of 8ey4 by Molmil](/molmil-images/mine/8ey4) | Contact-dependent growth inhibition toxin-immunity protein complex from E. coli O32:H37 | Descriptor: | Cys_rich_CPCC domain-containing protein, FE (III) ION, PT-VENN domain-containing protein | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Goulding, C.W, Hayes, C.S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-10-26 | Release date: | 2023-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Contact-dependent growth inhibition toxin-immunity protein complex from E. coli O32:H37 To Be Published
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4A2S
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![BU of 4a2s by Molmil](/molmil-images/mine/4a2s) | Structure of the engineered retro-aldolase RA95.5 | Descriptor: | 1-(6-METHOXYNAPHTHALEN-2-YL)BUTANE-1,3-DIONE, INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE | Authors: | Giger, L, Caner, S, Kast, P, Baker, D, Ban, N, Hilvert, D. | Deposit date: | 2011-09-28 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Evolution of a designed retro-aldolase leads to complete active site remodeling. Nat.Chem.Biol., 9, 2013
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6R37
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![BU of 6r37 by Molmil](/molmil-images/mine/6r37) | T. brucei FPPS in complex with 2-(5-chlorobenzo[b]thiophen-3-yl)acetic acid | Descriptor: | (5-chloro-1-benzothiophen-3-yl)acetic acid, DIMETHYL SULFOXIDE, Farnesyl pyrophosphate synthase | Authors: | Muenzker, L, Petrick, J.K, Schleberger, C, Jahnke, W. | Deposit date: | 2019-03-19 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting Trypanosoma brucei FPPS by Fragment-based drug discovery Thesis, 2019
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6R3W
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![BU of 6r3w by Molmil](/molmil-images/mine/6r3w) | M.tuberculosis nitrobindin with a water molecule coordinated to the heme iron atom | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, UPF0678 fatty acid-binding protein-like protein ERS007657_00996 | Authors: | De Simone, G, di Masi, A, Polticelli, F, Pesce, A, Nardini, M, Bolognesi, M, Ciaccio, C, Coletta, M, Turilli, E.S, Fasano, M, Tognaccini, L, Smulevich, G, Abbruzzetti, S, Viappiani, C, Bruno, S, Ascenzi, P. | Deposit date: | 2019-03-21 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Mycobacterial and Human Nitrobindins: Structure and Function. Antioxid.Redox Signal., 33, 2020
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8EY3
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![BU of 8ey3 by Molmil](/molmil-images/mine/8ey3) | Contact-dependent growth inhibition (CDI) immunity protein from E. coli O32:H37 | Descriptor: | Cys_rich_CPCC domain-containing protein, FE (III) ION, SODIUM ION | Authors: | Michalska, K, Stols, L, Eschenfeldt, W, Goulding, C.W, Hayes, C.S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2022-10-26 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Contact-dependent growth inhibition (CDI) immunity protein from E. coli O32:H37 To Be Published
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4B4G
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![BU of 4b4g by Molmil](/molmil-images/mine/4b4g) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | Deposit date: | 2012-07-30 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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6RBL
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![BU of 6rbl by Molmil](/molmil-images/mine/6rbl) | TETR(D) E147A MUTANT IN COMPLEX WITH DOXYCYCLINE AND MAGNESIUM | Descriptor: | (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Hinrichs, W, Palm, G.J, Berndt, L, Girbardt, B. | Deposit date: | 2019-04-10 | Release date: | 2019-08-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Thermodynamics, cooperativity and stability of the tetracycline repressor (TetR) upon tetracycline binding. Biochim Biophys Acta Proteins Proteom, 1868, 2020
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4B3Q
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![BU of 4b3q by Molmil](/molmil-images/mine/4b3q) | Structures of HIV-1 RT and RNA-DNA Complex Reveal a Unique RT Conformation and Substrate Interface | Descriptor: | 11-CYCLOPROPYL-5,11-DIHYDRO-4-METHYL-6H-DIPYRIDO[3,2-B:2',3'-E][1,4]DIAZEPIN-6-ONE, P51 RT, PRIMER DNA, ... | Authors: | Lapkouski, M, Tian, L, Miller, J.T, Le Grice, S.F.J, Yang, W. | Deposit date: | 2012-07-25 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (5 Å) | Cite: | Complexes of HIV-1 RT, Nnrti and RNA/DNA Hybrid Reveal a Structure Compatible with RNA Degradation Nat.Struct.Mol.Biol., 20, 2013
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4ARW
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![BU of 4arw by Molmil](/molmil-images/mine/4arw) | Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE, ... | Authors: | Alphey, M.S, Pirrie, L, Torrie, L.S, Gardiner, M, Westwood, N.J, Gray, D, Naismith, J.H. | Deposit date: | 2012-04-26 | Release date: | 2012-10-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.204 Å) | Cite: | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. ACS Chem. Biol., 8, 2013
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4B08
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![BU of 4b08 by Molmil](/molmil-images/mine/4b08) | Yeast DNA polymerase alpha, Selenomethionine protein | Descriptor: | DNA POLYMERASE ALPHA CATALYTIC SUBUNIT A | Authors: | Perera, R.L, Torella, R, Klinge, S, Kilkenny, M.L, Maman, J.D, Pellegrini, L. | Deposit date: | 2012-06-29 | Release date: | 2013-02-27 | Last modified: | 2013-05-01 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Mechanism for Priming DNA Synthesis by Yeast DNA Polymerase Alpha Elife, 2, 2013
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4AVR
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![BU of 4avr by Molmil](/molmil-images/mine/4avr) | Crystal structure of the hypothetical protein Pa4485 from Pseudomonas aeruginosa | Descriptor: | PA4485 | Authors: | McMahon, S.A, Moynie, L, Liu, H, Duthie, F, Alphey, M.S, Naismith, J.H. | Deposit date: | 2012-05-29 | Release date: | 2013-01-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery. Acta Crystallogr.,Sect.F, 69, 2013
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6R3Y
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![BU of 6r3y by Molmil](/molmil-images/mine/6r3y) | M.tuberculosis nitrobindin with a cyanide molecule coordinated to the heme iron atom | Descriptor: | CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, UPF0678 fatty acid-binding protein-like protein ERS007657_00996 | Authors: | De Simone, G, di Masi, A, Polticelli, F, Pesce, A, Nardini, M, Bolognesi, M, Ciaccio, C, Coletta, M, Turilli, E.S, Fasano, M, Tognaccini, L, Smulevich, G, Abbruzzetti, S, Viappiani, C, Bruno, S, Ascenzi, P. | Deposit date: | 2019-03-21 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Mycobacterial and Human Nitrobindins: Structure and Function. Antioxid.Redox Signal., 33, 2020
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4B24
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![BU of 4b24 by Molmil](/molmil-images/mine/4b24) | Unprecedented sculpting of DNA at abasic sites by DNA glycosylase homolog Mag2 | Descriptor: | 5'-D(*CP*GP*AP*TP*AP*GP*GP*TP*AP*GP)-3', 5'-D(*GP*CP*TP*AP*CP*3DRP*TP*AP*TP*CP*GP)-3', PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE 2 | Authors: | Dalhus, B, Nilsen, L, Korvald, H, Huffman, J, Forstrom, R.J, McMurray, C.T, Alseth, I, Tainer, J.A, Bjoras, M. | Deposit date: | 2012-07-12 | Release date: | 2013-01-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Sculpting of DNA at Abasic Sites by DNA Glycosylase Homolog Mag2. Structure, 21, 2013
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4B2D
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![BU of 4b2d by Molmil](/molmil-images/mine/4b2d) | human PKM2 with L-serine and FBP bound. | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, PYRUVATE KINASE ISOZYMES M1/M2, ... | Authors: | Chaneton, B, Hillmann, P, Zheng, L, Martin, A.C.L, Maddocks, O.D.K, Chokkathukalam, A, Coyle, J.E, Jankevics, A, Holding, F.P, Vousden, K.H, Frezza, C, O'Reilly, M, Gottlieb, E. | Deposit date: | 2012-07-13 | Release date: | 2012-10-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Serine is a natural ligand and allosteric activator of pyruvate kinase M2. Nature, 491, 2012
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6R4S
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![BU of 6r4s by Molmil](/molmil-images/mine/6r4s) | |
4B6O
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![BU of 4b6o by Molmil](/molmil-images/mine/4b6o) | Structure of Mycobacterium tuberculosis Type II Dehydroquinase inhibited by (2S)-2-(4-methoxy)benzyl-3-dehydroquinic acid | Descriptor: | (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | Authors: | Otero, J.M, Llamas-Saiz, A.L, Lence, E, Tizon, L, Peon, A, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2012-08-14 | Release date: | 2012-12-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanistic basis of the inhibition of type II dehydroquinase by (2S)- and (2R)-2-benzyl-3-dehydroquinic acids. ACS Chem. Biol., 8, 2013
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4B5E
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![BU of 4b5e by Molmil](/molmil-images/mine/4b5e) | Crystal Structure of an amyloid-beta binding single chain antibody PS2-8 | Descriptor: | GLYCEROL, PS2-8, SULFATE ION | Authors: | Beringer, D.X, Dorresteijn, B, Rutten, L, Wienk, H, el Khattabi, M, Kroon-Batenburg, L.M.J, Verrips, C.T. | Deposit date: | 2012-08-03 | Release date: | 2013-08-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.936 Å) | Cite: | Amyloid-Beta Binding Single Chain Antibody Ps2-8 To be Published
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4A93
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![BU of 4a93 by Molmil](/molmil-images/mine/4a93) | RNA Polymerase II elongation complex containing a CPD Lesion | Descriptor: | 5'-D(*AP*GP*CP*TP*CP*AP*AP*GP*TP*AP*CP*T*TTP*TP*TP*CP*C BRUP*GP*GP*TP*CP*AP*TP*T)-3', 5'-D(*TP*AP*AP*GP*TP*AP*CP*TP*TP*GP*AP*GP*CP*TP)-3', 5'-R(*UP*UP*CP*GP*AP*CP*CP*AP*GP*GP*AP*AP)-3', ... | Authors: | Walmacq, C, Cheung, A.C.M, Kireeva, M.L, Lubkowska, L, Ye, C, Gotte, D, Strathern, J.N, Carell, T, Cramer, P, Kashlev, M. | Deposit date: | 2011-11-23 | Release date: | 2012-03-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Mechanism of Translesion Transcription by RNA Polymerase II and its Role in Cellular Resistance to DNA Damage. Mol.Cell, 46, 2012
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8FBD
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![BU of 8fbd by Molmil](/molmil-images/mine/8fbd) | Crystal structure of OrfX1-OrfX3 complex from Clostridium botulinum E1 | Descriptor: | ACETATE ION, Neurotoxin complex component Orf-X1, Neurotoxin complex component Orf-X3 | Authors: | Liu, S, Gao, L. | Deposit date: | 2022-11-29 | Release date: | 2022-12-21 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1. Febs Lett., 597, 2023
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4A49
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![BU of 4a49 by Molmil](/molmil-images/mine/4a49) | Structure of phosphoTyr371-c-Cbl-UbcH5B complex | Descriptor: | E3 ubiquitin-protein ligase CBL, POTASSIUM ION, Ubiquitin-conjugating enzyme E2 D2, ... | Authors: | Dou, H, Buetow, L, Hock, A, Sibbet, G.J, Vousden, K.H, Huang, D.T. | Deposit date: | 2011-10-07 | Release date: | 2012-01-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.214 Å) | Cite: | Structural basis for autoinhibition and phosphorylation-dependent activation of c-Cbl. Nat. Struct. Mol. Biol., 19, 2012
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8FBF
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![BU of 8fbf by Molmil](/molmil-images/mine/8fbf) | Crystal structure of OrfX2 from Clostridium botulinum E1 | Descriptor: | Neurotoxin complex component Orf-X2, SULFATE ION | Authors: | Lam, K.H, Gao, L. | Deposit date: | 2022-11-29 | Release date: | 2022-12-21 | Last modified: | 2023-03-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structures of OrfX1, OrfX2 and the OrfX1-OrfX3 complex from the orfX gene cluster of botulinum neurotoxin E1. Febs Lett., 597, 2023
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