2WJY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wjy by Molmil](/molmil-images/mine/2wjy) | Crystal structure of the complex between human nonsense mediated decay factors UPF1 and UPF2 Orthorhombic form | Descriptor: | REGULATOR OF NONSENSE TRANSCRIPTS 1, SULFATE ION, ZINC ION | Authors: | Clerici, M, Mourao, A, Gutsche, I, Gehring, N.H, Hentze, M.W, Kulozik, A, Kadlec, J, Sattler, M, Cusack, S. | Deposit date: | 2009-06-01 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Unusual Bipartite Mode of Interaction between the Nonsense-Mediated Decay Factors, Upf1 and Upf2. Embo J., 28, 2009
|
|
8QRL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qrl by Molmil](/molmil-images/mine/8qrl) | mt-SSU assembly intermediate in GTPBP8 knock-out cells, state 2 | Descriptor: | 12S mitochondrial rRNA, 12S rRNA N4-methylcytidine (m4C) methyltransferase, 28S ribosomal protein S10, ... | Authors: | Valentin Gese, G, Cipullo, M, Rorbach, J, Hallberg, B.M. | Deposit date: | 2023-10-09 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.34 Å) | Cite: | GTPBP8 plays a role in mitoribosome formation in human mitochondria. Nat Commun, 15, 2024
|
|
1MQY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mqy by Molmil](/molmil-images/mine/1mqy) | NMR solution structure of type-B lantibiotics mersacidin in DPC micelles | Descriptor: | LANTIBIOTIC MERSACIDIN | Authors: | Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M. | Deposit date: | 2002-09-17 | Release date: | 2003-03-11 | Last modified: | 2024-07-10 | Method: | SOLUTION NMR | Cite: | NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity J.Biol.Chem., 278, 2003
|
|
1N5M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n5m by Molmil](/molmil-images/mine/1n5m) | Crystal structure of the mouse acetylcholinesterase-gallamine complex | Descriptor: | 2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-TRIETHYLETHANAMINIUM], 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | Authors: | Bourne, Y, Taylor, P, Radic, Z, Marchot, P. | Deposit date: | 2002-11-06 | Release date: | 2003-02-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site EMBO J., 22, 2003
|
|
2WU3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wu3 by Molmil](/molmil-images/mine/2wu3) | CRYSTAL STRUCTURE OF MOUSE ACETYLCHOLINESTERASE IN COMPLEX WITH FENAMIPHOS AND HI-6 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM, ACETYLCHOLINESTERASE, ... | Authors: | Hornberg, A, Artursson, E, Warme, R, Pang, Y.-P, Ekstrom, F. | Deposit date: | 2009-09-28 | Release date: | 2009-10-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structures of Oxime-Bound Fenamiphos-Acetylcholinesterases: Reactivation Involving Flipping of the His447 Ring to Form a Reactive Glu334-His447-Oxime Triad. Biochem.Pharm., 79, 2010
|
|
1MQZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mqz by Molmil](/molmil-images/mine/1mqz) | NMR solution structure of type-B lantibiotics mersacidin bound to lipid II in DPC micelles | Descriptor: | LANTIBIOTIC MERSACIDIN | Authors: | Hsu, S.-T, Breukink, E, Bierbaum, G, Sahl, H.-G, de Kruijff, B, Kaptein, R, van Nuland, N.A, Bonvin, A.M. | Deposit date: | 2002-09-17 | Release date: | 2003-03-11 | Last modified: | 2024-07-10 | Method: | SOLUTION NMR | Cite: | NMR Study of Mersacidin and Lipid II Interaction in Dodecylphosphocholine Micelles. Conformational Changes are a Key to Antimicrobial Activity J.Biol.Chem., 278, 2003
|
|
1MR4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1mr4 by Molmil](/molmil-images/mine/1mr4) | Solution Structure of NaD1 from Nicotiana alata | Descriptor: | Nicotiana alata plant defensin 1 (NaD1) | Authors: | Lay, F.T, Schirra, H.J, Scanlon, M.J, Anderson, M.A, Craik, D.J. | Deposit date: | 2002-09-18 | Release date: | 2003-09-18 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | The Three-dimensional Solution Structure of NaD1, a New Floral Defensin from Nicotiana alata and its Application to a Homology Model of the Crop Defense Protein alfAFP J.MOL.BIOL., 325, 2003
|
|
1N5R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1n5r by Molmil](/molmil-images/mine/1n5r) | Crystal structure of the mouse acetylcholinesterase-propidium complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM, ACETIC ACID, ... | Authors: | Bourne, Y, Taylor, P, Radic, Z, Marchot, P. | Deposit date: | 2002-11-07 | Release date: | 2003-02-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural insights into ligand interactions at the acetylcholinesterase peripheral anionic site EMBO J., 22, 2003
|
|
2WG0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wg0 by Molmil](/molmil-images/mine/2wg0) | AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (OBTAINED BY IN CRYSTALLO AGING) | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M. | Deposit date: | 2009-04-15 | Release date: | 2009-08-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime. J.Med.Chem., 52, 2009
|
|
2W99
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w99 by Molmil](/molmil-images/mine/2w99) | Crystal Structure of CDK4 in complex with a D-type cyclin | Descriptor: | CELL DIVISION PROTEIN KINASE 4, G1/S-SPECIFIC CYCLIN-D1 | Authors: | Day, P.J, Cleasby, A, Tickle, I.J, Reilly, M.O, Coyle, J.E, Holding, F.P, McMenamin, R.L, Yon, J, Chopra, R, Lengauer, C, Jhoti, H. | Deposit date: | 2009-01-22 | Release date: | 2009-03-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Human Cdk4 in Complex with a D-Type Cyclin. Proc.Natl.Acad.Sci.USA, 106, 2009
|
|
2VO6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vo6 by Molmil](/molmil-images/mine/2vo6) | Structure of PKA-PKB chimera complexed with 4-(4-Chlorobenzyl)-1-(7H- pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-ylamine | Descriptor: | 4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-aminium, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | Deposit date: | 2008-02-08 | Release date: | 2008-04-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration. J.Med.Chem., 51, 2008
|
|
2VT7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vt7 by Molmil](/molmil-images/mine/2vt7) | Native Torpedo californica acetylcholinesterase collected with a cumulated dose of 800000 Gy | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, CHLORIDE ION, ... | Authors: | Colletier, J.P, Bourgeois, D, Sanson, B, Fournier, D, Sussman, J.L, Silman, I, Weik, M. | Deposit date: | 2008-05-09 | Release date: | 2008-07-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Shoot-and-Trap: Use of Specific X-Ray Damage to Study Structural Protein Dynamics by Temperature-Controlled Cryo-Crystallography. Proc.Natl.Acad.Sci.USA, 105, 2008
|
|
8DP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8dp3 by Molmil](/molmil-images/mine/8dp3) | |
8DU5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8du5 by Molmil](/molmil-images/mine/8du5) | Murine sialidase-1 (NEU1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Sialidase-1, ... | Authors: | Gorelik, A, Illes, K, Nagar, B. | Deposit date: | 2022-07-26 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of the immunoregulatory sialidase NEU1. Sci Adv, 9, 2023
|
|
2W3P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w3p by Molmil](/molmil-images/mine/2w3p) | BoxC crystal structure | Descriptor: | BENZOYL-COA-DIHYDRODIOL LYASE, BETA-MERCAPTOETHANOL, GLYCEROL | Authors: | Bains, J, Boulanger, M.J. | Deposit date: | 2008-11-13 | Release date: | 2009-04-14 | Last modified: | 2017-07-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Biophysical Characterization of Boxc from Burkholderia Xenovorans Lb400: A Novel Ring-Cleaving Enzyme in the Crotonase Superfamily. J.Biol.Chem., 284, 2009
|
|
2VNW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vnw by Molmil](/molmil-images/mine/2vnw) | Structure of PKA-PKB chimera complexed with (1-(9H-Purin-6-yl) piperidin-4-yl)methanamine | Descriptor: | 1-[1-(9H-purin-6-yl)piperidin-4-yl]methanamine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | Deposit date: | 2008-02-08 | Release date: | 2008-04-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration. J.Med.Chem., 51, 2008
|
|
2VO3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vo3 by Molmil](/molmil-images/mine/2vo3) | Structure of PKA-PKB chimera complexed with C-(4-(4-Chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methylamine | Descriptor: | 1-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanamine, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Caldwell, J.J, Davies, T.G, Donald, A, McHardy, T, Rowlands, M.G, Aherne, G.W, Hunter, L.K, Taylor, K, Ruddle, R, Raynaud, F.I, Verdonk, M, Workman, P, Garrett, M.D, Collins, I. | Deposit date: | 2008-02-08 | Release date: | 2008-04-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Identification of 4-(4-Aminopiperidin-1-Yl)-7H-Pyrrolo[2,3-D]Pyrimidines as Selective Inhibitors of Protein Kinase B Through Fragment Elaboration. J.Med.Chem., 51, 2008
|
|
8CDG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cdg by Molmil](/molmil-images/mine/8cdg) | Crystal structure of human IL-17A cytokine in complex with macrocycle | Descriptor: | (9~{S},12~{R},19~{S})-9-[[4-[[(2~{S})-2-cyclohexyl-2-(2-phenylethanoylamino)ethanoyl]amino]phenyl]methyl]-12-methyl-7,10,13,21-tetrakis(oxidanylidene)-8,11,14,20-tetrazaspiro[4.17]docosane-19-carboxylic acid, Interleukin-17A | Authors: | Schulze, M.-S. | Deposit date: | 2023-01-30 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Modulation of IL-17 backbone dynamics reduces receptor affinity and reveals a new inhibitory mechanism. Chem Sci, 14, 2023
|
|
8CC4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cc4 by Molmil](/molmil-images/mine/8cc4) | LasB bound to phosphonic acid based inhibitor | Descriptor: | CALCIUM ION, Elastase, ZINC ION, ... | Authors: | Mueller, R, Sikandar, A. | Deposit date: | 2023-01-26 | Release date: | 2023-12-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections. Acs Cent.Sci., 9, 2023
|
|
8CLE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cle by Molmil](/molmil-images/mine/8cle) | Vinblastine bound to tubulin (T2R-TTL) complex | Descriptor: | (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | 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 (3.2 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
|
|
8CL7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cl7 by Molmil](/molmil-images/mine/8cl7) | Krokinobacter eikastus rhodopsin 2 (KR2) in dark state | Descriptor: | EICOSANE, RETINAL, Sodium pumping rhodopsin | Authors: | Bertrand, Q, Wranik, M, Kepa, M.W, Weinert, T, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.76 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
|
|
8CL8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cl8 by Molmil](/molmil-images/mine/8cl8) | Krokinobacter eikastus rhodopsin 2 (KR2) extrapolated map 1us after light activation | Descriptor: | EICOSANE, RETINAL, Sodium pumping rhodopsin | Authors: | Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 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
|
|
8CLB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8clb by Molmil](/molmil-images/mine/8clb) | Colchicine bound to tubulin (T2R-TTL) complex | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Wranik, M, Kepa, M.W, Bertrand, Q, Weinert, T, Steinmetz, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 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
|
|
8CL6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8cl6 by Molmil](/molmil-images/mine/8cl6) | Lysozyme in matrix of hydroxyethylcellulose (HEC) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LYSOZYME, ... | Authors: | Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J. | Deposit date: | 2023-02-16 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.32 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
|
|
8CLH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![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
|
|