4YE1
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![BU of 4ye1 by Molmil](/molmil-images/mine/4ye1) | A cytochrome c plus calixarene structure - alternative ligand binding mode | Descriptor: | 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, Cytochrome c iso-1, GLYCEROL, ... | Authors: | Mallon, M.M, McGovern, R.E, McCarty, A.A, Crowley, P.B. | Deposit date: | 2015-02-23 | Release date: | 2015-05-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | A cytochrome c-calixarene structure To Be Published
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4YLZ
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4YDD
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![BU of 4ydd by Molmil](/molmil-images/mine/4ydd) | Crystal structure of the perchlorate reductase PcrAB from Azospira suillum PS | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ... | Authors: | Tsai, C.-L, Youngblut, M.D, Tainer, J.A. | Deposit date: | 2015-02-21 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Perchlorate Reductase Is Distinguished by Active Site Aromatic Gate Residues. J.Biol.Chem., 291, 2016
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4YM0
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1L3L
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![BU of 1l3l by Molmil](/molmil-images/mine/1l3l) | Crystal structure of a bacterial quorum-sensing transcription factor complexed with pheromone and DNA | Descriptor: | 3-OXO-OCTANOIC ACID (2-OXO-TETRAHYDRO-FURAN-3-YL)-AMIDE, 5'-D(*GP*AP*TP*GP*TP*GP*CP*AP*GP*AP*TP*CP*TP*GP*CP*AP*CP*AP*TP*C)-3', Transcriptional activator protein traR | Authors: | Zhang, R, Pappas, T, Brace, J.L, Miller, P.C, Oulmassov, T, Molyneaux, J.M, Anderson, J.C, Bashkin, J.K, Winans, S.C, Joachimiak, A. | Deposit date: | 2002-02-27 | Release date: | 2002-07-03 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structure of a bacterial quorum-sensing transcription factor complexed with pheromone and DNA. Nature, 417, 2002
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7OUI
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![BU of 7oui by Molmil](/molmil-images/mine/7oui) | Structure of C2S2M2-type Photosystem supercomplex from Arabidopsis thaliana (digitonin-extracted) | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Graca, A.T, Hall, M, Persson, K, Schroder, W.P. | Deposit date: | 2021-06-11 | Release date: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (2.79 Å) | Cite: | High-resolution model of Arabidopsis Photosystem II reveals the structural consequences of digitonin-extraction. Sci Rep, 11, 2021
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7OY8
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![BU of 7oy8 by Molmil](/molmil-images/mine/7oy8) | Cryo-EM structure of the Rhodospirillum rubrum RC-LH1 complex | Descriptor: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate, 2-azanyl-5-[(2~{E},6~{E},8~{E},10~{E},12~{E},14~{E},18~{E},22~{E},26~{E},30~{E},34~{E})-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,8,10,12,14,18,22,26,30,34,38-dodecaenyl]-3-methoxy-6-methyl-cyclohexa-2,5-diene-1,4-dione, ... | Authors: | Qian, P, Croll, T.I, Castro, H.P, Moriarty, N.W, sader, K, Hunter, C.N. | Deposit date: | 2021-06-23 | Release date: | 2021-09-22 | Method: | ELECTRON MICROSCOPY (2.5 Å) | Cite: | Cryo-EM structure of the Rhodospirillum rubrum RC-LH1 complex at 2.5 angstrom. Biochem.J., 478, 2021
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6O7Y
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![BU of 6o7y by Molmil](/molmil-images/mine/6o7y) | Trypanosoma cruzi EIF4E5 translation initiation factor in complex with cap-4 | Descriptor: | 2-amino-9-[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(S)-({(2R,3R,4R,5R)-3-{[(R)-{[(2R,3R,4R,5R)-3-{[(S)-{[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-{[(S)-hydroxy{[(2R,3R,4R,5R)-3-hydroxy-4-methoxy-5-(3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methoxy}phosphoryl]oxy}-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-(6-amino-9H-purin-9-yl)-4-methoxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-5-[6-(dimethylamino)-9H-purin-9-yl]-4-methoxytetrahydrofuran-2-yl}methoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-3H-purin-7-ium, Putative Eukaryotic translation initiation factor 4E type 5, SULFATE ION | Authors: | Guimaraes, B.G, Reolon, L.W. | Deposit date: | 2019-03-08 | Release date: | 2019-05-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the Trypanosoma cruzi EIF4E5 translation factor homologue in complex with mRNA cap-4. Nucleic Acids Res., 47, 2019
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1QJU
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![BU of 1qju by Molmil](/molmil-images/mine/1qju) | HUMAN RHINOVIRUS 16 COAT PROTEIN IN COMPLEX WITH ANTIVIRAL COMPOUND VP61209 | Descriptor: | 2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL, MYRISTIC ACID, PROTEIN VP1, ... | Authors: | Hadfield, A.T, Minor, I, Diana, G.D, Rossmann, M.G. | Deposit date: | 1999-07-05 | Release date: | 1999-07-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Analysis of Three Structurally Related Antiviral Compounds in Complex with Human Rhinovirus 16 Proc.Natl.Acad.Sci.USA, 96, 1999
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6ZO6
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![BU of 6zo6 by Molmil](/molmil-images/mine/6zo6) | Minocycline binding to the deep binding pocket of AcrB-G619P | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ... | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | Deposit date: | 2020-07-07 | Release date: | 2021-05-19 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB. Nat Commun, 12, 2021
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1WLR
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![BU of 1wlr by Molmil](/molmil-images/mine/1wlr) | Apo aminopeptidase P from E. coli | Descriptor: | CHLORIDE ION, ISOPROPYL ALCOHOL, TETRAETHYLENE GLYCOL, ... | Authors: | Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M. | Deposit date: | 2004-06-29 | Release date: | 2005-08-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and functional implications of metal ion selection in aminopeptidase p, a metalloprotease with a dinuclear metal center Biochemistry, 44, 2005
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1WPG
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![BU of 1wpg by Molmil](/molmil-images/mine/1wpg) | Crystal structure of the SR CA2+-ATPase with MGF4 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, OCTANOIC ACID [3S-[3ALPHA, ... | Authors: | Toyoshima, C, Nomura, H, Tsuda, T. | Deposit date: | 2004-09-02 | Release date: | 2004-10-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Lumenal gating mechanism revealed in calcium pump crystal structures with phosphate analogues Nature, 432, 2004
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7NE1
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![BU of 7ne1 by Molmil](/molmil-images/mine/7ne1) | Structure of the complex between Netrin-1 and its receptor Neogenin | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Robinson, R.A, Griffiths, S.C, van de Haar, L.L, Malinauskas, T, van Battum, E.Y, Zelina, P, Schwab, R.A, Karia, D, Malinauskaite, L, Brignani, S, van den Munkhof, M, Dudukcu, O, De Ruiter, A.A, Van den Heuvel, D.M.A, Bishop, B, Elegheert, J, Aricescu, A.R, Pasterkamp, R.J, Siebold, C. | Deposit date: | 2021-02-02 | Release date: | 2021-03-31 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Simultaneous binding of Guidance Cues NET1 and RGM blocks extracellular NEO1 signaling. Cell, 184, 2021
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8CLH
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![BU of 8clh by Molmil](/molmil-images/mine/8clh) | Drug cocktail (Colchicine, Epothilone A, Peloruside, Ansamitocin P3, Vinblastine) bound to tubulin (T2R-TTL) complex | Descriptor: | (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate, (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, CALCIUM ION, ... | Authors: | Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers. Nat Commun, 14, 2023
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1F3D
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![BU of 1f3d by Molmil](/molmil-images/mine/1f3d) | CATALYTIC ANTIBODY 4B2 IN COMPLEX WITH ITS AMIDINIUM HAPTEN. | Descriptor: | 2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM, CATALYTIC ANTIBODY 4B2, SULFATE ION | Authors: | Golinelli-Pimpaneau, B, Goncalves, O, Dintinger, T, Blanchard, D, Knossow, M, Tellier, C. | Deposit date: | 2000-06-02 | Release date: | 2000-09-13 | Last modified: | 2012-07-04 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Structural evidence for a programmed general base in the active site of a catalytic antibody. Proc.Natl.Acad.Sci.USA, 97, 2000
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8CNA
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![BU of 8cna by Molmil](/molmil-images/mine/8cna) | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA | Descriptor: | ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate, histone acetyltransferase | Authors: | Mechaly, A.E, Zhang, W, Haouz, A, Green, M, Rodrigues-Lima, F. | Deposit date: | 2023-02-22 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.463 Å) | Cite: | Crystal structure of CREBBP-R1446C histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA To Be Published
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8FBM
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8FBU
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![BU of 8fbu by Molmil](/molmil-images/mine/8fbu) | |
1SEU
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![BU of 1seu by Molmil](/molmil-images/mine/1seu) | Human DNA Topoisomerase I (70 Kda) In Complex With The Indolocarbazole SA315F and Covalent Complex With A 22 Base Pair DNA Duplex | Descriptor: | 2,10-DIHYDROXY-12-(BETA-D-GLUCOPYRANOSYL)-6,7,12,13-TETRAHYDROINDOLO[2,3-A]PYRROLO[3,4-C]CARBAZOLE-5,7-DIONE, 5'-D(*(TGP)P*GP*AP*AP*AP*AP*AP*TP*TP*TP*TP*T)-3', 5'-D(*AP*AP*AP*AP*AP*GP*AP*CP*TP*T)-3', ... | Authors: | Staker, B.L, Feese, M.D, Cushman, M, Pommier, Y, Zembower, D, Stewart, L, Burgin, A.B. | Deposit date: | 2004-02-18 | Release date: | 2005-04-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of three classes of anticancer agents bound to the human topoisomerase I-DNA covalent complex J.Med.Chem., 48, 2005
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2JB6
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![BU of 2jb6 by Molmil](/molmil-images/mine/2jb6) | Fab fragment in complex with small molecule hapten, crystal form-2 | Descriptor: | 2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM, FAB FRAGMENT MOR03268 HEAVY CHAIN, FAB FRAGMENT MOR03268 LIGHT CHAIN | Authors: | Hillig, R.C, Baesler, S, Malawski, G, Badock, V, Bahr, I, Schirner, M, Licha, K. | Deposit date: | 2006-12-03 | Release date: | 2008-01-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Fab Mor03268 Triggers Absorption Shift of a Diagnostic Dye Via Packaging in a Solvent-Shielded Fab Dimer Interface J.Mol.Biol., 377, 2008
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8DMM
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![BU of 8dmm by Molmil](/molmil-images/mine/8dmm) | Structure of the vanadate-trapped MsbA bound to KDL | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, ADP ORTHOVANADATE, ATP-binding transport protein MsbA | Authors: | Liu, C, Lyu, J, Laganowsky, A.D, Zhao, M. | Deposit date: | 2022-07-08 | Release date: | 2022-12-14 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Structural basis for lipid and copper regulation of the ABC transporter MsbA. Nat Commun, 13, 2022
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1SEZ
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![BU of 1sez by Molmil](/molmil-images/mine/1sez) | Crystal Structure of Protoporphyrinogen IX Oxidase | Descriptor: | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL, 4-BROMO-3-(5'-CARBOXY-4'-CHLORO-2'-FLUOROPHENYL)-1-METHYL-5-TRIFLUOROMETHYL-PYRAZOL, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Koch, M, Breithaupt, C, Kiefersauer, R, Freigang, J, Huber, R, Messerschmidt, A. | Deposit date: | 2004-02-19 | Release date: | 2004-04-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure of protoporphyrinogen IX oxidase: a key enzyme in haem and chlorophyll biosynthesis. Embo J., 23, 2004
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2OBV
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![BU of 2obv by Molmil](/molmil-images/mine/2obv) | Crystal structure of the human S-adenosylmethionine synthetase 1 in complex with the product | Descriptor: | S-ADENOSYLMETHIONINE, S-adenosylmethionine synthetase isoform type-1, SODIUM ION, ... | Authors: | Pilka, E.S, Shafqat, N, Kavanagh, K.L, Cooper, C, Hozjan, V, Turnbull, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2006-12-20 | Release date: | 2007-01-02 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of the human S-adenosylmethionine synthetase 1 in complex with the product. To be Published
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3J4P
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![BU of 3j4p by Molmil](/molmil-images/mine/3j4p) | Electron Microscopy Analysis of a Disaccharide Analog complex Reveals Receptor Interactions of Adeno-Associated Virus | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, Capsid protein VP1, MAGNESIUM ION, ... | Authors: | Xie, Q, Chapman, M.S. | Deposit date: | 2013-09-10 | Release date: | 2013-10-16 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (4.8 Å) | Cite: | Electron microscopy analysis of a disaccharide analog complex reveals receptor interactions of adeno-associated virus. J.Struct.Biol., 184, 2013
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2OIZ
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![BU of 2oiz by Molmil](/molmil-images/mine/2oiz) | |