1Y7C
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6T7F
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![BU of 6t7f by Molmil](/molmil-images/mine/6t7f) | RCR E3 ligase E2-Ubiquitin transthiolation intermediate | Descriptor: | 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide, E3 ubiquitin-protein ligase MYCBP2, Polyubiquitin-C, ... | Authors: | Mabbitt, P.D, Virdee, S. | Deposit date: | 2019-10-21 | Release date: | 2020-08-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structural basis for RING-Cys-Relay E3 ligase activity and its role in axon integrity. Nat.Chem.Biol., 16, 2020
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3ZDG
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![BU of 3zdg by Molmil](/molmil-images/mine/3zdg) | Crystal Structure of Ls-AChBP complexed with carbamoylcholine analogue 3-(dimethylamino)butyl dimethylcarbamate (DMABC) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(dimethylamino)butyl dimethylcarbamate, ACETYLCHOLINE BINDING PROTEIN, ... | Authors: | Ussing, C.A, Hansen, C.P, Petersen, J.G, Jensen, A.A, Rohde, L.A.H, Ahring, P.K, Nielsen, E.O, Kastrup, J.S, Gajhede, M, Frolund, B, Balle, T. | Deposit date: | 2012-11-26 | Release date: | 2013-02-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Synthesis, Pharmacology, and Biostructural Characterization of Novel Alpha(4)Beta(2) Nicotinic Acetylcholine Receptor Agonists. J.Med.Chem., 56, 2013
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8RBZ
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![BU of 8rbz by Molmil](/molmil-images/mine/8rbz) | Structure of Integrator-PP2A-SOSS-CTD post-termination complex | Descriptor: | DNA-directed RNA polymerase subunit, DSS1, Integrator complex subunit 1, ... | Authors: | Fianu, I, Ochmann, M, Walshe, J.L, Cramer, P. | Deposit date: | 2023-12-05 | Release date: | 2024-02-07 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis of Integrator-dependent RNA polymerase II termination. Nature, 629, 2024
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5ALC
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![BU of 5alc by Molmil](/molmil-images/mine/5alc) | Ticagrelor antidote candidate Fab 72 in complex with ticagrelor | Descriptor: | ANTI-TICAGRELOR FAB 72, HEAVY CHAIN, LIGHT CHAIN, ... | Authors: | Buchanan, A, Newton, P, Pehrsson, S, Inghardt, T, Antonsson, T, Svensson, P, Sjogren, T, Oster, L, Janefeldt, A, Sandinge, A, Keyes, F, Austin, M, Spooner, J, Penney, M, Howells, G, Vaughan, T, Nylander, S. | Deposit date: | 2015-03-07 | Release date: | 2015-04-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Functional Characterisation of a Specific Antidote for Ticagrelor. Blood, 125, 2015
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8RNY
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![BU of 8rny by Molmil](/molmil-images/mine/8rny) | Hen Egg White Lysozyme soaked with with [H2Ind][trans-RuCl4(DMSO)(HInd)] | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | Authors: | Oszajca, M, Flejszar, M, Szura, A, Drozdz, P, Brindell, M, Kurpiewska, K. | Deposit date: | 2024-01-11 | Release date: | 2024-02-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.02 Å) | Cite: | Exploring the coordination chemistry of ruthenium complexes with lysozymes: structural and in-solution studies. Front Chem, 12, 2024
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6CQM
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![BU of 6cqm by Molmil](/molmil-images/mine/6cqm) | Crystal Structure of mitochondrial single-stranded DNA binding proteins from S. cerevisiae, Rim1 (Form2) | Descriptor: | Single-stranded DNA-binding protein RIM1, mitochondrial | Authors: | Singh, S.P, Kukshal, V, Bona, P.D, Lytle, A.K, Edwin, A, Galletto, R. | Deposit date: | 2018-03-15 | Release date: | 2018-05-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The mitochondrial single-stranded DNA binding protein from S. cerevisiae, Rim1, does not form stable homo-tetramers and binds DNA as a dimer of dimers. Nucleic Acids Res., 46, 2018
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2VO1
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![BU of 2vo1 by Molmil](/molmil-images/mine/2vo1) | CRYSTAL STRUCTURE OF THE SYNTHETASE DOMAIN OF HUMAN CTP SYNTHETASE | Descriptor: | CTP SYNTHASE 1, SULFATE ION | Authors: | Stenmark, P, Kursula, P, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Kotenyoa, T, Moche, M, Nilsson-Ehle, P, Ogg, D, Persson, C, Sagemark, J, Schuler, H, Sundstrom, M, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Nordlund, P. | Deposit date: | 2008-02-08 | Release date: | 2008-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the Synthetase Domain of Human Ctp Synthetase, a Target for Anticancer Therapy. Acta Crystallogr.,Sect.F, 62, 2006
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6G2L
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8JL1
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![BU of 8jl1 by Molmil](/molmil-images/mine/8jl1) | membrane proteins | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, ... | Authors: | Yu, J, Ge, J.P, Xu, R.S. | Deposit date: | 2023-06-02 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | membrane proteins To Be Published
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6NP2
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![BU of 6np2 by Molmil](/molmil-images/mine/6np2) | AAC-VIa bound to Sisomicin | Descriptor: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, Aminoglycoside N(3)-acetyltransferase, MAGNESIUM ION | Authors: | Kumar, P, Cuneo, M.J. | Deposit date: | 2019-01-17 | Release date: | 2019-09-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Low-Barrier and Canonical Hydrogen Bonds Modulate Activity and Specificity of a Catalytic Triad. Angew.Chem.Int.Ed.Engl., 58, 2019
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5EOU
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![BU of 5eou by Molmil](/molmil-images/mine/5eou) | Pseudomonas aeruginosa PilM:PilN1-12 bound to ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | McCallum, M, Tammam, S, Robinson, H, Shah, M, Calmettes, C, Moraes, T, Burrows, L, Howell, L.P. | Deposit date: | 2015-11-10 | Release date: | 2016-04-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | PilN Binding Modulates the Structure and Binding Partners of the Pseudomonas aeruginosa Type IVa Pilus Protein PilM. J.Biol.Chem., 291, 2016
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6G2N
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6NU6
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![BU of 6nu6 by Molmil](/molmil-images/mine/6nu6) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5 | Descriptor: | 4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid, 4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid, ATP-dependent dethiobiotin synthetase BioD, ... | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-01-31 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.437 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5 To Be Published
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5EPD
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![BU of 5epd by Molmil](/molmil-images/mine/5epd) | Crystal structure of Glycerol Trinitrate Reductase XdpB from Agrobacterium sp. R89-1 (Apo form) | Descriptor: | Glycerol trinitrate reductase | Authors: | Kolenko, P, Zahradnik, J, Zuskova, I, Cerny, J, Palyzova, A, Kyslikova, E, Schneider, B. | Deposit date: | 2015-11-11 | Release date: | 2016-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of XdpB, the bacterial old yellow enzyme, in an FMN-free form. PLoS ONE, 13, 2018
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8JKV
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![BU of 8jkv by Molmil](/molmil-images/mine/8jkv) | membrane proteins | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, ... | Authors: | Yu, J, Ge, J.P, Ruisheng, X. | Deposit date: | 2023-06-02 | Release date: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (2.87 Å) | Cite: | membrane proteins To Be Published
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5YTZ
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![BU of 5ytz by Molmil](/molmil-images/mine/5ytz) | Crystal structure of echinomycin-d(ACGTCGT)2 complex | Descriptor: | 2-CARBOXYQUINOXALINE, DNA (5'-D(P*AP*CP*GP*TP*CP*GP*(UD))-3'), Echinomycin, ... | Authors: | Hou, M.H, Wu, P.C, Kao, Y.F. | Deposit date: | 2017-11-20 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Cooperative recognition of T:T mismatch by echinomycin causes structural distortions in DNA duplex Nucleic Acids Res., 46, 2018
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6NVE
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![BU of 6nve by Molmil](/molmil-images/mine/6nve) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7 | Descriptor: | 4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-02-05 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7 To Be Published
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4TOE
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![BU of 4toe by Molmil](/molmil-images/mine/4toe) | 2.20A resolution structure of Iron Bound BfrB (D34F) from Pseudomonas aeruginosa | Descriptor: | Bacterioferritin, FE (II) ION, POTASSIUM ION, ... | Authors: | Lovell, S, Battaile, K.P, Yao, H, Kumar, R, Eshelman, K, Rivera, M. | Deposit date: | 2014-06-05 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Concerted motions networking pores and distant ferroxidase centers enable bacterioferritin function and iron traffic. Biochemistry, 54, 2015
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4ITN
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![BU of 4itn by Molmil](/molmil-images/mine/4itn) | Crystal structure of "compact P-loop" LpxK from Aquifex aeolicus in complex with chloride at 2.2 angstrom resolution | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Emptage, R.P, Pemble IV, C.W, York, J.D, Raetz, C.R.H, Zhou, P. | Deposit date: | 2013-01-18 | Release date: | 2013-04-03 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1912 Å) | Cite: | Mechanistic Characterization of the Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK Involved in Lipid A Biosynthesis. Biochemistry, 52, 2013
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6NVC
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![BU of 6nvc by Molmil](/molmil-images/mine/6nvc) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 6 | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, {(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-02-04 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 6 To Be Published
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6GVX
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![BU of 6gvx by Molmil](/molmil-images/mine/6gvx) | Crystal structure of Maternal Embryonic Leucine Zipper Kinase (MELK) in complex with dorsomorphin (Compound C) | Descriptor: | 1,2-ETHANEDIOL, 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine, Maternal embryonic leucine zipper kinase | Authors: | Golik, P, Rembacz, K.P, Zrubek, K, Romanowska, M, Bugusz, J, Wladyka, B, Dubin, G. | Deposit date: | 2018-06-21 | Release date: | 2019-05-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Crystal structure of Maternal Embryonic Leucine Zipper Kinase (MELK) in complex with dorsomorphin (Compound C). Arch.Biochem.Biophys., 671, 2019
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8S0U
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1AU7
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![BU of 1au7 by Molmil](/molmil-images/mine/1au7) | PIT-1 MUTANT/DNA COMPLEX | Descriptor: | CONSENSUS DNA 25-MER, DNA (5'-D(*CP*TP*TP*CP*CP*TP*CP*AP*TP*GP*TP*AP*TP*AP*TP*AP*C P*AP*TP*GP*AP*GP* GP*A)-3'), PROTEIN PIT-1 | Authors: | Jacobson, E.M, Li, P, Leon-Del-Rio, A, Rosenfeld, M.G, Aggarwal, A.K. | Deposit date: | 1997-09-12 | Release date: | 1998-01-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of Pit-1 POU domain bound to DNA as a dimer: unexpected arrangement and flexibility. Genes Dev., 11, 1997
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8SNF
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![BU of 8snf by Molmil](/molmil-images/mine/8snf) | Crystal structure of metformin hydrolase (MfmAB) from Pseudomonas mendocina sp. MET-2 with Ni2+2 bound | Descriptor: | NICKEL (II) ION, metformin hydrolase subunit A, metformin hydrolase subunit B | Authors: | Tassoulas, L.J, Rankin, J.A, Elias, M.H, Wackett, L.P. | Deposit date: | 2023-04-27 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Dinickel enzyme evolved to metabolize the pharmaceutical metformin and its implications for wastewater and human microbiomes. Proc.Natl.Acad.Sci.USA, 121, 2024
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