7X2F
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![BU of 7x2f by Molmil](/molmil-images/mine/7x2f) | Cryo-EM structure of the dopamine and LY3154207-bound D1 dopamine receptor and mini-Gs complex | Descriptor: | 2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Teng, X, Zheng, S. | Deposit date: | 2022-02-25 | Release date: | 2022-06-15 | Last modified: | 2022-06-22 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Ligand recognition and biased agonism of the D1 dopamine receptor. Nat Commun, 13, 2022
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5CN5
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![BU of 5cn5 by Molmil](/molmil-images/mine/5cn5) | Ultrafast dynamics in myoglobin: 0 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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3IK5
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7X2C
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![BU of 7x2c by Molmil](/molmil-images/mine/7x2c) | Cryo-EM structure of the fenoldopam-bound D1 dopamine receptor and mini-Gs complex | Descriptor: | (1R)-6-chloranyl-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Teng, X, Zheng, S. | Deposit date: | 2022-02-25 | Release date: | 2022-06-29 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Ligand recognition and biased agonism of the D1 dopamine receptor. Nat Commun, 13, 2022
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5CN8
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![BU of 5cn8 by Molmil](/molmil-images/mine/5cn8) | Ultrafast dynamics in myoglobin: 0.3 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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5CNF
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![BU of 5cnf by Molmil](/molmil-images/mine/5cnf) | Ultrafast dynamics in myoglobin: 50 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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1BW6
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![BU of 1bw6 by Molmil](/molmil-images/mine/1bw6) | HUMAN CENTROMERE PROTEIN B (CENP-B) DNA BINDIGN DOMAIN RP1 | Descriptor: | PROTEIN (CENTROMERE PROTEIN B) | Authors: | Iwahara, J, Kigawa, T, Kitagawa, K, Masumoto, H, Okazaki, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 1998-09-30 | Release date: | 1998-10-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | A helix-turn-helix structure unit in human centromere protein B (CENP-B). EMBO J., 17, 1998
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6B76
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![BU of 6b76 by Molmil](/molmil-images/mine/6b76) | Crystal Structure of human NAMPT in complex with NVP-LVR596 | Descriptor: | (1S,2S)-N-{4-[(1S)-1-(propanoylamino)ethyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION | Authors: | Weihofen, W.A, Thigale, S. | Deposit date: | 2017-10-03 | Release date: | 2018-10-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
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4B13
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![BU of 4b13 by Molmil](/molmil-images/mine/4b13) | Plasmodium vivax N-myristoyltransferase with a bound benzofuran inhibitor (compound 25) | Descriptor: | 2-oxopentadecyl-CoA, 4-{[2-(3-benzyl-1,2,4-oxadiazol-5-yl)-3-methyl-1-benzofuran-4-yl]oxy}piperidine, CHLORIDE ION, ... | Authors: | Yu, Z, Brannigan, J.A, Moss, D.K, Brzozowski, A.M, Wilkinson, A.J, Holder, A.A, Tate, E.W, Leatherbarrow, R.J. | Deposit date: | 2012-07-06 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Design and Synthesis of Inhibitors of Plasmodium Falciparum N-Myristoyltransferase, a Promising Target for Antimalarial Drug Discovery. J.Med.Chem., 55, 2012
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4LL5
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![BU of 4ll5 by Molmil](/molmil-images/mine/4ll5) | Crystal Structure of Pim-1 in complex with the fluorescent compound SKF86002 | Descriptor: | 6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole, CALCIUM ION, GLYCEROL, ... | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-09 | Release date: | 2014-02-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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4LUE
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![BU of 4lue by Molmil](/molmil-images/mine/4lue) | Crystal Structure of HCK in complex with 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (resulting from displacement of SKF86002) | Descriptor: | 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, CALCIUM ION, CHLORIDE ION, ... | Authors: | Parker, L.J, Tanaka, A, Handa, N, Honda, K, Tomabechi, Y, Shirouzu, M, Yokoyama, S. | Deposit date: | 2013-07-25 | Release date: | 2014-02-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (3.04 Å) | Cite: | Kinase crystal identification and ATP-competitive inhibitor screening using the fluorescent ligand SKF86002. Acta Crystallogr.,Sect.D, 70, 2014
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4DVY
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![BU of 4dvy by Molmil](/molmil-images/mine/4dvy) | Crystal structure of the Helicobacter pylori CagA oncoprotein | Descriptor: | Cytotoxicity-associated immunodominant antigen | Authors: | Hayashi, T, Senda, M, Morohashi, H, Higashi, H, Horio, M, Kashiba, Y, Nagase, L, Sasaya, D, Shimizu, T, Venugopalan, N, Kumeta, H, Noda, N, Inagaki, F, Senda, T, Hatakeyama, M. | Deposit date: | 2012-02-23 | Release date: | 2012-07-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Tertiary Structure-Function Analysis Reveals the Pathogenic Signaling Potentiation Mechanism of Helicobacter pylori Oncogenic Effector CagA Cell Host Microbe, 12, 2012
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5CN7
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![BU of 5cn7 by Molmil](/molmil-images/mine/5cn7) | Ultrafast dynamics in myoglobin: 0.2 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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5CNE
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![BU of 5cne by Molmil](/molmil-images/mine/5cne) | Ultrafast dynamics in myoglobin: 10 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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4MLA
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![BU of 4mla by Molmil](/molmil-images/mine/4mla) | Structure of maize cytokinin oxidase/dehydrogenase 2 (ZmCKO2) | Descriptor: | 1,2-ETHANEDIOL, Cytokinin oxidase 2, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Morera, S, Kopecny, D, Briozzo, P, Koncitikova, R. | Deposit date: | 2013-09-06 | Release date: | 2015-03-11 | Last modified: | 2016-03-23 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site. Febs J., 283, 2016
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4ML8
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![BU of 4ml8 by Molmil](/molmil-images/mine/4ml8) | Structure of maize cytokinin oxidase/dehydrogenase 2 (ZmCKO2) | Descriptor: | Cytokinin oxidase 2, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Morera, S, Kopecny, D, Briozzo, P, Koncitikova, R. | Deposit date: | 2013-09-06 | Release date: | 2015-03-11 | Last modified: | 2016-03-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site. Febs J., 283, 2016
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5CN6
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![BU of 5cn6 by Molmil](/molmil-images/mine/5cn6) | Ultrafast dynamics in myoglobin: 0.1 ps time delay | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | Deposit date: | 2015-07-17 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation. Science, 350, 2015
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1LAA
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3Q3Z
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![BU of 3q3z by Molmil](/molmil-images/mine/3q3z) | Structure of a c-di-GMP-II riboswitch from C. acetobutylicum bound to c-di-GMP | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), MAGNESIUM ION, c-di-GMP-II riboswitch | Authors: | Smith, K.D, Shanahan, C.A, Moore, E.L, Simon, A.C, Strobel, S.A. | Deposit date: | 2010-12-22 | Release date: | 2011-05-11 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structural basis of differential ligand recognition by two classes of bis-(3'-5')-cyclic dimeric guanosine monophosphate-binding riboswitches. Proc.Natl.Acad.Sci.USA, 108, 2011
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4LNU
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![BU of 4lnu by Molmil](/molmil-images/mine/4lnu) | Nucleotide-free kinesin motor domain in complex with tubulin and a DARPin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Designed ankyrin repeat protein (DARPIN) D1, GLYCEROL, ... | Authors: | Cao, L, Gigant, B, Knossow, M. | Deposit date: | 2013-07-12 | Release date: | 2014-12-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The structure of apo-kinesin bound to tubulin links the nucleotide cycle to movement Nat Commun, 5, 2014
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4KZB
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![BU of 4kzb by Molmil](/molmil-images/mine/4kzb) | Crystal structure of AmpC beta-lactamase in complex with fragment 50 (N-(methylsulfonyl)-N-phenyl-alanine) | Descriptor: | Beta-lactamase, N-(methylsulfonyl)-N-phenyl-D-alanine, N-(methylsulfonyl)-N-phenyl-L-alanine | Authors: | Eidam, O, Barelier, S, Fish, I, Shoichet, B.K. | Deposit date: | 2013-05-29 | Release date: | 2014-05-21 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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4L3B
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![BU of 4l3b by Molmil](/molmil-images/mine/4l3b) | X-ray structure of the HRV2 A particle uncoating intermediate | Descriptor: | Protein VP1, Protein VP2, Protein VP3 | Authors: | Vives-Adrian, L, Querol-Audi, J, Garriga, D, Pous, J, Verdaguer, N. | Deposit date: | 2013-06-05 | Release date: | 2013-11-27 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (6.5 Å) | Cite: | Uncoating of common cold virus is preceded by RNA switching as determined by X-ray and cryo-EM analyses of the subviral A-particle. Proc.Natl.Acad.Sci.USA, 110, 2013
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3IIE
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![BU of 3iie by Molmil](/molmil-images/mine/3iie) | 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis. | Descriptor: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, MAGNESIUM ION | Authors: | Osipiuk, J, Mulligan, R, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-07-31 | Release date: | 2009-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | X-ray crystal structure of 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis. To be Published
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4DRX
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![BU of 4drx by Molmil](/molmil-images/mine/4drx) | GTP-Tubulin in complex with a DARPIN | Descriptor: | Designed ankyrin repeat protein (DARPIN) D1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Pecqueur, L, Gigant, B, Knossow, M. | Deposit date: | 2012-02-17 | Release date: | 2012-07-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | A designed ankyrin repeat protein selected to bind to tubulin caps the microtubule plus end. Proc.Natl.Acad.Sci.USA, 109, 2012
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3ITJ
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![BU of 3itj by Molmil](/molmil-images/mine/3itj) | Crystal structure of Saccharomyces cerevisiae thioredoxin reductase 1 (Trr1) | Descriptor: | CITRIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin reductase 1 | Authors: | Oliveira, M.A, Discola, K.F, Alves, S.V, Medrano, F.J, Guimaraes, B.G, Netto, L.E.S. | Deposit date: | 2009-08-28 | Release date: | 2010-03-31 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Insights into the specificity of thioredoxin reductase-thioredoxin interactions. A structural and functional investigation of the yeast thioredoxin system. Biochemistry, 49, 2010
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