1NH9
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![BU of 1nh9 by Molmil](/molmil-images/mine/1nh9) | Crystal Structure of a DNA Binding Protein Mja10b from the hyperthermophile Methanococcus jannaschii | Descriptor: | DNA-binding protein Alba | Authors: | Wang, G, Bartlam, M, Guo, R, Yang, H, Xue, H, Liu, Y, Huang, L, Rao, Z. | Deposit date: | 2002-12-19 | Release date: | 2003-12-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a DNA binding protein from the hyperthermophilic euryarchaeon Methanococcus jannaschii Protein Sci., 12, 2003
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5AK7
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![BU of 5ak7 by Molmil](/molmil-images/mine/5ak7) | Structure of wt Porphyromonas gingivalis peptidylarginine deiminase | Descriptor: | 1,2-ETHANEDIOL, ALANINE, ARGININE, ... | Authors: | Kopec, J, Montgomery, A, Shrestha, L, Kiyani, W, Nowak, R, Burgess-Brown, N, Venables, P.J, Yue, W.W. | Deposit date: | 2015-03-02 | Release date: | 2015-07-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Crystal Structure of Porphyromonas Gingivalis Peptidylarginine Deiminase: Implications for Autoimmunity in Rheumatoid Arthritis. Ann.Rheum.Dis., 75, 2016
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1N9R
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![BU of 1n9r by Molmil](/molmil-images/mine/1n9r) | Crystal structure of a heptameric ring complex of yeast SmF in spacegroup P4122 | Descriptor: | Small nuclear ribonucleoprotein F | Authors: | Collins, B.M, Cubeddu, L, Naidoo, N, Harrop, S.J, Kornfeld, G.D, Dawes, I.W, Curmi, P.M.G, Mabbutt, B.C. | Deposit date: | 2002-11-26 | Release date: | 2002-12-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Homomeric ring assemblies of eukaryotic Sm proteins have affinity for
both RNA and DNA: Crystal structure of an oligomeric complex of yeast
SmF J.Biol.Chem., 278, 2003
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5AL3
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![BU of 5al3 by Molmil](/molmil-images/mine/5al3) | Crystal structure of TNKS2 in complex with 2-(2,4-dichlorophenyl)-1- methyl-1H,2H,3H,4H-pyrido(2,3-d)pyrimidin-4-one | Descriptor: | (2R)-2-(2,4-dichlorophenyl)-1-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one, GLYCEROL, SULFATE ION, ... | Authors: | Nkizinkiko, Y, Lehtio, L. | Deposit date: | 2015-03-06 | Release date: | 2015-07-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of Potent and Selective Nonplanar Tankyrase Inhibiting Nicotinamide Mimics. Bioorg.Med.Chem., 23, 2015
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5YH5
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![BU of 5yh5 by Molmil](/molmil-images/mine/5yh5) | The crystal structure of Staphylococcus aureus CntA in apo form | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Nickel ABC transporter substrate-binding protein | Authors: | Song, L, Ji, Q. | Deposit date: | 2017-09-27 | Release date: | 2018-03-28 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Mechanistic insights into staphylopine-mediated metal acquisition Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1NKM
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![BU of 1nkm by Molmil](/molmil-images/mine/1nkm) | Complex structure of HCMV Protease and a peptidomimetic inhibitor | Descriptor: | Assemblin, N-(6-aminohexanoyl)-3-methyl-L-valyl-3-methyl-L-valyl-N~1~-[(2S,3S)-3-hydroxy-4-oxo-4-{[(1R)-1-phenylpropyl]amino}butan-2-yl]-N~4~,N~4~-dimethyl-L-aspartamide | Authors: | Khayat, R, Batra, R, Qian, C, Halmos, T, Bailey, M, Tong, L. | Deposit date: | 2003-01-03 | Release date: | 2003-02-11 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and Biochemical Studies of Inhibitor Binding to Human Cytomegalovirus Protease Biochemistry, 42, 2003
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1VYT
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![BU of 1vyt by Molmil](/molmil-images/mine/1vyt) | beta3 subunit complexed with aid | Descriptor: | CALCIUM CHANNEL BETA-3 SUBUNIT, VOLTAGE-DEPENDENT L-TYPE CALCIUM CHANNEL ALPHA-1C SUBUNIT | Authors: | Chen, Y.-H, Li, M.-H, Zhang, Y, He, L.-L, Yamada, Y, Fitzmaurice, A, Yang, S, Zhang, H, Tong, L, Yang, J. | Deposit date: | 2004-05-07 | Release date: | 2004-06-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Basis of the Alpha(1)-Beta Subunit Interaction of Voltage-Gated Ca(2+) Channels Nature, 429, 2004
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5AI5
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![BU of 5ai5 by Molmil](/molmil-images/mine/5ai5) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 1,3-DIPHENYLUREA, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-02-12 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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1NBW
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![BU of 1nbw by Molmil](/molmil-images/mine/1nbw) | Glycerol dehydratase reactivase | Descriptor: | CALCIUM ION, GLYCEROL DEHYDRATASE REACTIVASE ALPHA SUBUNIT, GLYCEROL DEHYDRATASE REACTIVASE BETA SUBUNIT | Authors: | Liao, D.-I, Reiss, L, Turner Jr, I, Dotson, G. | Deposit date: | 2002-12-04 | Release date: | 2003-01-14 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of glycerol dehydratase reactivase: A new type of molecular chaperone Structure, 11, 2003
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7QBA
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![BU of 7qba by Molmil](/molmil-images/mine/7qba) | CryoEM structure of the ABC transporter NosDFY complexed with nitrous oxide reductase NosZ | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, MAGNESIUM ION, ... | Authors: | Zipfel, S, Mueller, C, Topitsch, A, Lutz, M, Zhang, L, Einsle, O. | Deposit date: | 2021-11-18 | Release date: | 2022-08-03 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | Molecular interplay of an assembly machinery for nitrous oxide reductase. Nature, 608, 2022
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1NDI
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![BU of 1ndi by Molmil](/molmil-images/mine/1ndi) | Carnitine Acetyltransferase in complex with CoA | Descriptor: | COENZYME A, Carnitine Acetyltransferase | Authors: | Jogl, G, Tong, L. | Deposit date: | 2002-12-09 | Release date: | 2003-01-28 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Carnitine Acetyltransferase and Implications for the Catalytic Mechanism and Fatty Acid Transport Cell(Cambridge,Mass.), 112, 2003
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1W31
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![BU of 1w31 by Molmil](/molmil-images/mine/1w31) | YEAST 5-AMINOLAEVULINIC ACID DEHYDRATASE 5-HYDROXYLAEVULINIC ACID COMPLEX | Descriptor: | 5-HYDROXYLAEVULINIC ACID, DELTA-AMINOLEVULINIC ACID DEHYDRATASE, ZINC ION | Authors: | Erskine, P.T, Coates, L, Newbold, R, Brindley, A.A, Stauffer, F, Beaven, G.D.E, Gill, R, Wood, S.P, Warren, M.J, Cooper, J.B, Shoolingin-Jordan, P.M, Neier, R. | Deposit date: | 2004-07-11 | Release date: | 2005-08-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with the Inhibitor 5-Hydroxylaevulinic Acid Acta Crystallogr.,Sect.D, 61, 2005
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5AD2
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![BU of 5ad2 by Molmil](/molmil-images/mine/5ad2) | Bivalent binding to BET bromodomains | Descriptor: | (3R)-4-(2-{4-[1-(3-chloro[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4-piperidinyl]phenoxy}ethyl)-1,3-dimethyl-2-piperazinone, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Waring, M.J, Chen, H, Rabow, A.A, Walker, G, Bobby, R, Boiko, S, Bradbury, R.H, Callis, R, Dale, I, Daniels, D, Flavell, L, Holdgate, G, Jowitt, T.A, Kikhney, A, McAlister, M, Ogg, D, Patel, J, Petteruti, P, Robb, G.R, Robers, M, Stratton, N, Svergun, D.I, Wang, W, Whittaker, D. | Deposit date: | 2015-08-19 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Potent and Selective Bivalent Inhibitors of Bet Bromodomains Nat.Chem.Biol., 12, 2016
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5AEH
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![BU of 5aeh by Molmil](/molmil-images/mine/5aeh) | Crystal structure of human tankyrase 2 in complex with OD332 | Descriptor: | N-{4-[(2-chlorophenyl)(pyrimidin-4-yl)carbamoyl]phenyl}-4-methoxybenzamide, TANKYRASE-2, ZINC ION | Authors: | Ignatev, A, Lehtio, L. | Deposit date: | 2015-08-31 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Development and Structural Analysis of Adenosine Site Binding Tankyrase Inhibitors. Bioorg.Med.Chem.Lett., 26, 2016
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1N9I
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![BU of 1n9i by Molmil](/molmil-images/mine/1n9i) | structure of earth-grown oxidized myoglobin mutant YQR (ISS8A) | Descriptor: | HYDROXIDE ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Miele, A.E, Sciara, G, Federici, L, Vallone, B, Brunori, M. | Deposit date: | 2002-11-25 | Release date: | 2003-06-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Analysis of the effect of microgravity on protein crystal quality: the case of a myoglobin triple mutant. Acta Crystallogr.,Sect.D, 59, 2003
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5ALB
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![BU of 5alb by Molmil](/molmil-images/mine/5alb) | Ticagrelor antidote candidate MEDI2452 in complex with ticagrelor | Descriptor: | MEDI2452 HEAVY CHAIN, MEDI2452 LIGHT CHAIN, Ticagrelor | 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 (2.16 Å) | Cite: | Structural and Functional Characterisation of a Specific Antidote for Ticagrelor. Blood, 125, 2015
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5YN6
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![BU of 5yn6 by Molmil](/molmil-images/mine/5yn6) | Crystal structure of MERS-CoV nsp10/nsp16 complex bound to SAM | Descriptor: | S-ADENOSYLMETHIONINE, ZINC ION, nsp10 protein, ... | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Guo, D.Y, Fan, C.P. | Deposit date: | 2017-10-24 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.947 Å) | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex To Be Published
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5AKK
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![BU of 5akk by Molmil](/molmil-images/mine/5akk) | ligand complex structure of soluble epoxide hydrolase | Descriptor: | 6-bromo-1,3-dihydro-2H-indol-2-one, BIFUNCTIONAL EPOXIDE HYDROLASE 2, SULFATE ION | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | Deposit date: | 2015-03-03 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery. Drug Discov Today, 20, 2015
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5AIS
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![BU of 5ais by Molmil](/molmil-images/mine/5ais) | Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor. | Descriptor: | 4-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide, GLUTATHIONE, HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE, ... | Authors: | Edfeldt, F, Evenas, J, Lepisto, M, Ward, A, Petersen, J, Wissler, L, Rohman, M, Sivars, U, Svensson, K, Perry, M, Feierberg, I, Zhou, X, Hansson, T, Narjes, F. | Deposit date: | 2015-02-17 | Release date: | 2015-06-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Identification of Indole Inhibitors of Human Hematopoietic Prostaglandin D2 Synthase (Hh-Pgds). Bioorg.Med.Chem.Lett., 25, 2015
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5YNN
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![BU of 5ynn by Molmil](/molmil-images/mine/5ynn) | Crystal structure of MERS-CoV nsp16/nsp10complex bound to sinefungin and m7GpppG | Descriptor: | 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE, SINEFUNGIN, ZINC ION, ... | Authors: | Wei, S.M, Yang, L, Ke, Z.H, Guo, D.Y, Fan, C.P. | Deposit date: | 2017-10-24 | Release date: | 2018-12-05 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural insights into the molecular mechanism of MERS Coronavirus RNA ribose 2'-O-methylation by nsp16/nsp10 protein complex To Be Published
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1NAX
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![BU of 1nax by Molmil](/molmil-images/mine/1nax) | Thyroid receptor beta1 in complex with a beta-selective ligand | Descriptor: | Thyroid hormone receptor beta-1, {3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID | Authors: | Ye, L, Li, Y.L, Mellstrom, K, Mellin, C, Bladh, L.G, Koehler, K, Garg, N, Garcia Collazo, A.M, Litten, C, Husman, B, Persson, K, Ljunggren, J, Grover, G, Sleph, P.G, George, R, Malm, J. | Deposit date: | 2002-11-29 | Release date: | 2003-06-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1. J.Med.Chem., 46, 2003
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1NBL
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![BU of 1nbl by Molmil](/molmil-images/mine/1nbl) | |
1W51
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![BU of 1w51 by Molmil](/molmil-images/mine/1w51) | BACE (Beta Secretase) in complex with a nanomolar non-peptidic inhibitor | Descriptor: | 3-[({(1S,2R)-1-BENZYL-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-N,N-DIPROPYLBENZAMIDE, BETA-SECRETASE 1, IODIDE ION | Authors: | Patel, S, Vuillard, L, Cleasby, A, Murray, C.W, Yon, J. | Deposit date: | 2004-08-04 | Release date: | 2004-09-23 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Apo and Inhibitor Complex Structures of Bace (Beta-Secretase) J.Mol.Biol., 343, 2004
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5LXF
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![BU of 5lxf by Molmil](/molmil-images/mine/5lxf) | Crystal structure of the human Macrophage Colony Stimulating Factor M- CSF_C31S variant | Descriptor: | Macrophage colony-stimulating factor 1 | Authors: | Shahar, A, Papo, N, Zarivach, R, Kosloff, M, Bakhman, A, Rosenfeld, L, Zur, Y, Levaot, N. | Deposit date: | 2016-09-21 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineering a monomeric variant of macrophage colony-stimulating factor (M-CSF) that antagonizes the c-FMS receptor. Biochem. J., 474, 2017
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1NCH
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![BU of 1nch by Molmil](/molmil-images/mine/1nch) | STRUCTURAL BASIS OF CELL-CELL ADHESION BY CADHERINS | Descriptor: | N-CADHERIN, YTTERBIUM (III) ION | Authors: | Shapiro, L, Fannon, A.M, Kwong, P.D, Thompson, A, Lehmann, M.S, Grubel, G, Legrand, J.-F, Als-Nielsen, J, Colman, D.R, Hendrickson, W.A. | Deposit date: | 1995-03-23 | Release date: | 1995-07-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of cell-cell adhesion by cadherins. Nature, 374, 1995
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