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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4KZ8
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![BU of 4kz8 by Molmil](/molmil-images/mine/4kz8) | Crystal structure of AmpC beta-lactamase in complex with fragment 20 (1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione) | Descriptor: | 1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, Beta-lactamase, PHOSPHATE ION | 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 (2.282 Å) | Cite: | Increasing chemical space coverage by combining empirical and computational fragment screens. Acs Chem.Biol., 9, 2014
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4AGF
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![BU of 4agf by Molmil](/molmil-images/mine/4agf) | |
6MVZ
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![BU of 6mvz by Molmil](/molmil-images/mine/6mvz) | Mle-Phe-Mle-Phe. Linear precursor of pseudoxylallemycin A. | Descriptor: | Linear precursor of pseudoxylallemycin A, trifluoroacetic acid | Authors: | Cameron, A.J, Harris, P.W.R, Brimble, M.A, Squire, C.J. | Deposit date: | 2018-10-29 | Release date: | 2019-09-11 | Method: | X-RAY DIFFRACTION (0.83 Å) | Cite: | Investigations of the key macrolactamisation step in the synthesis of cyclic tetrapeptide pseudoxylallemycin A. Org.Biomol.Chem., 17, 2019
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5OJB
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![BU of 5ojb by Molmil](/molmil-images/mine/5ojb) | Structure of MbQ NMH | Descriptor: | IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hayashi, T, Pott, M, Mori, T, Mittl, P, Green, A, Hivert, D. | Deposit date: | 2017-07-21 | Release date: | 2018-01-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.543 Å) | Cite: | A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold. J. Am. Chem. Soc., 140, 2018
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2VBF
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![BU of 2vbf by Molmil](/molmil-images/mine/2vbf) | The holostructure of the branched-chain keto acid decarboxylase (KdcA) from Lactococcus lactis | Descriptor: | BRANCHED-CHAIN ALPHA-KETOACID DECARBOXYLASE, MAGNESIUM ION, THIAMINE DIPHOSPHATE | Authors: | Berthold, C.L, Gocke, D, Wood, M.D, Leeper, F, Pohl, M, Schneider, G. | Deposit date: | 2007-09-12 | Release date: | 2007-12-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structure of the Branched-Chain Keto Acid Decarboxylase (Kdca) from Lactococcus Lactis Provides Insights Into the Structural Basis for the Chemo- and Enantioselective Carboligation Reaction Acta Crystallogr.,Sect.D, 63, 2007
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5OJA
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![BU of 5oja by Molmil](/molmil-images/mine/5oja) | Structure of MbQ | Descriptor: | IMIDAZOLE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hayashi, T, Pott, M, Mori, T, Mittl, P, Green, A, Hivert, D. | Deposit date: | 2017-07-21 | Release date: | 2018-01-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.347 Å) | Cite: | A Noncanonical Proximal Heme Ligand Affords an Efficient Peroxidase in a Globin Fold. J. Am. Chem. Soc., 140, 2018
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4JEF
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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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4NYX
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![BU of 4nyx by Molmil](/molmil-images/mine/4nyx) | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand | Descriptor: | (3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide, CREB-binding protein | Authors: | Filippakopoulos, P, Picaud, S, Felletar, I, Rooney, T.P.C, Fedorov, O, Martin, S, Monteiro, O.P, Conway, S.J, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2013-12-11 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand TO BE PUBLISHED
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3HKP
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![BU of 3hkp by Molmil](/molmil-images/mine/3hkp) | Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with protocatechuate | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3,4-DIHYDROXYBENZOIC ACID, Catechol 1,2-dioxygenase, ... | Authors: | Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-05-25 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts. J.Struct.Biol., 170, 2010
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5AEL
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![BU of 5ael by Molmil](/molmil-images/mine/5ael) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597 | Descriptor: | FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate) | Authors: | Yang, G, Oldfield, E, No, J.H. | Deposit date: | 2014-12-26 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation. Antimicrob.Agents Chemother., 59, 2015
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3HJ8
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![BU of 3hj8 by Molmil](/molmil-images/mine/3hj8) | Crystal structure determination of catechol 1,2-dioxygenase from rhodococcus opacus 1CP in complex with 4-chlorocatechol | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 4-CHLOROBENZENE-1,2-DIOL, Catechol 1,2-dioxygenase, ... | Authors: | Matera, I, Ferraroni, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-05-21 | Release date: | 2010-01-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts J.Struct.Biol., 170, 2010
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3R6R
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![BU of 3r6r by Molmil](/molmil-images/mine/3r6r) | Structure of the complex of an intramolecular human telomeric DNA with Berberine formed in K+ solution | Descriptor: | BERBERINE, DNA (22-mer), POTASSIUM ION | Authors: | Ferraroni, M, Bazzicalupi, C, Gratteri, P, Bilia, A.R. | Deposit date: | 2011-03-22 | Release date: | 2012-02-29 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure of human telomeric DNA complexed with berberine: an interesting case of stacked ligand to G-tetrad ratio higher than 1:1. Nucleic Acids Res., 41, 2013
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5ACM
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![BU of 5acm by Molmil](/molmil-images/mine/5acm) | Mcg immunoglobulin variable domain with methylene blue | Descriptor: | 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, GLYCEROL, MCG, ... | Authors: | Brumshtein, B, Esswein, S.R, Salwinski, L, Phillips, M.L, Ly, A.T, Cascio, D, Sawaya, M.R, Eisenberg, D.S. | Deposit date: | 2015-08-17 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Inhibition by small-molecule ligands of formation of amyloid fibrils of an immunoglobulin light chain variable domain. Elife, 4, 2015
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5AFX
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![BU of 5afx by Molmil](/molmil-images/mine/5afx) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1238 | Descriptor: | FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, [1-hydroxy-2-(1-nonyl-1H-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid) | Authors: | Yang, G, Oldfield, E, No, J.H. | Deposit date: | 2015-01-27 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation. Antimicrob.Agents Chemother., 59, 2015
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4JP5
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![BU of 4jp5 by Molmil](/molmil-images/mine/4jp5) | X-ray structure of uridine phosphorylase from Yersinia pseudotuberculosis in unliganded state at 2.27 A resolution | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, SULFATE ION, ... | Authors: | Balaev, V.V, Lashkov, A.A, Prokofev, I.I, Gabdoulkhakov, A.G, Betzel, C, Mikhailov, A.M. | Deposit date: | 2013-03-19 | Release date: | 2014-04-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | X-ray structure of uridine phosphorylase from Yersinia pseudotuberculosis in unliganded state at 2.27 A resolution To be Published
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4JFZ
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![BU of 4jfz by Molmil](/molmil-images/mine/4jfz) | Structure of phosphoserine (pSAb) scaffold bound to pSer peptide | Descriptor: | Fab heavy chain, Fab light chain, PROPANOIC ACID, ... | Authors: | Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A. | Deposit date: | 2013-02-28 | Release date: | 2013-08-28 | Last modified: | 2017-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Nature-inspired design of motif-specific antibody scaffolds. Nat.Biotechnol., 31, 2013
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4P23
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![BU of 4p23 by Molmil](/molmil-images/mine/4p23) | J809.B5 TCR bound to IAb/3K | Descriptor: | 3K peptide and MHC IAb beta chain,H-2 class II histocompatibility antigen, A beta chain, H-2 class II histocompatibility antigen, ... | Authors: | Stadinski, B.D, Huseby, E.S, Trenh, P, Stern, L. | Deposit date: | 2014-02-28 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Effect of CDR3 Sequences and Distal V Gene Residues in Regulating TCR-MHC Contacts and Ligand Specificity. J Immunol., 192, 2014
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5D6T
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![BU of 5d6t by Molmil](/molmil-images/mine/5d6t) | Crystal Structure of Aspergillus clavatus Sph3 in complex with GalNAc | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, CHLORIDE ION, SPHERULIN-4, ... | Authors: | Bamford, N.C, Little, D.J, Howell, P.L. | Deposit date: | 2015-08-12 | Release date: | 2015-09-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Sph3 Is a Glycoside Hydrolase Required for the Biosynthesis of Galactosaminogalactan in Aspergillus fumigatus. J.Biol.Chem., 290, 2015
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1SA1
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![BU of 1sa1 by Molmil](/molmil-images/mine/1sa1) | Tubulin-podophyllotoxin: stathmin-like domain complex | Descriptor: | 9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-D][1,3]DIOXOL-6(5AH)-ONE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Ravelli, R.B, Gigant, B, Curmi, P.A, Jourdain, I, Lachkar, S, Sobel, A, Knossow, M. | Deposit date: | 2004-02-06 | Release date: | 2004-03-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Insight into tubulin regulation from a complex with colchicine and a stathmin-like domain. Nature, 428, 2004
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3HUV
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![BU of 3huv by Molmil](/molmil-images/mine/3huv) | |
7X2D
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![BU of 7x2d by Molmil](/molmil-images/mine/7x2d) | Cryo-EM structure of the tavapadon-bound D1 dopamine receptor and mini-Gs complex | Descriptor: | 1,5-dimethyl-6-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]pyrimidine-2,4-dione, CHOLESTEROL, D(1A) dopamine receptor, ... | Authors: | Teng, X, Zheng, S. | Deposit date: | 2022-02-25 | Release date: | 2022-06-15 | Last modified: | 2022-10-12 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Ligand recognition and biased agonism of the D1 dopamine receptor. Nat Commun, 13, 2022
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