4C66
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![BU of 4c66 by Molmil](/molmil-images/mine/4c66) | Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains | Descriptor: | 4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C, Mirguet, O. | Deposit date: | 2013-09-17 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Discovery of Epigenetic Regulator I-Bet762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the Bet Bromodomains. J.Med.Chem., 56, 2013
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4O4J
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![BU of 4o4j by Molmil](/molmil-images/mine/4o4j) | Tubulin-Peloruside A complex | Descriptor: | CALCIUM ION, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O. | Deposit date: | 2013-12-18 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of microtubule stabilization by laulimalide and peloruside A. Angew.Chem.Int.Ed.Engl., 53, 2014
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4O4L
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![BU of 4o4l by Molmil](/molmil-images/mine/4o4l) | Tubulin-Peloruside A-Epothilone A complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, EPOTHILONE A, ... | Authors: | Prota, A.E, Bargsten, K, Northcote, P.T, Marsh, M, Altmann, K.H, Miller, J.H, Diaz, J.F, Steinmetz, M.O. | Deposit date: | 2013-12-18 | Release date: | 2014-03-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of microtubule stabilization by laulimalide and peloruside a. Angew.Chem.Int.Ed.Engl., 53, 2014
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8CSL
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![BU of 8csl by Molmil](/molmil-images/mine/8csl) | Sub-tomogram averaging of erythrocyte ankyrin-1 complex | Descriptor: | Ammonium transporter Rh type A, Ankyrin-1, Band 3 anion transport protein, ... | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | Deposit date: | 2022-05-12 | Release date: | 2022-07-20 | Last modified: | 2024-02-14 | Method: | ELECTRON MICROSCOPY (25 Å) | Cite: | Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
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8CS9
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![BU of 8cs9 by Molmil](/molmil-images/mine/8cs9) | Composite reconstruction of Class 1 of the erythrocyte ankyrin-1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ammonium transporter Rh type A, ... | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | Deposit date: | 2022-05-12 | Release date: | 2022-07-20 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (2.74 Å) | Cite: | Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
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8CRT
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![BU of 8crt by Molmil](/molmil-images/mine/8crt) | Local refinement of Rh trimer, glycophorin B and Band3-III transmembrane region, class 1a of erythrocyte ankyrin-1 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ammonium transporter Rh type A, Band 3 anion transport protein, ... | Authors: | Vallese, F, Kim, K, Yen, L.Y, Johnston, J.D, Noble, A.J, Cali, T, Clarke, O.B. | Deposit date: | 2022-05-11 | Release date: | 2022-07-20 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Architecture of the human erythrocyte ankyrin-1 complex. Nat.Struct.Mol.Biol., 29, 2022
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2GL9
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![BU of 2gl9 by Molmil](/molmil-images/mine/2gl9) | Crystal Structure of Glycosylasparaginase-Substrate Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ASPARAGINE, Glycosylasparaginase alpha chain, ... | Authors: | Wang, Y, Guo, H.C. | Deposit date: | 2006-04-04 | Release date: | 2007-02-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic snapshot of a productive glycosylasparaginase-substrate complex. J.Mol.Biol., 366, 2007
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3TOP
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![BU of 3top by Molmil](/molmil-images/mine/3top) | Crystral Structure of the C-terminal Subunit of Human Maltase-Glucoamylase in Complex with Acarbose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Maltase-glucoamylase, intestinal | Authors: | Shen, Y, Qin, X.H, Ren, L.M. | Deposit date: | 2011-09-06 | Release date: | 2011-11-23 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.881 Å) | Cite: | Structural insight into substrate specificity of human intestinal maltase-glucoamylase Protein Cell, 2, 2011
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4B9H
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![BU of 4b9h by Molmil](/molmil-images/mine/4b9h) | Cladosporium fulvum LysM effector Ecp6 in complex with a beta-1,4- linked N-acetyl-D-glucosamine tetramer: I3C heavy atom derivative | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, ... | Authors: | Saleem-Batcha, R, Sanchez-Vallet, A, Hansen, G, Thomma, B.P.H.J, Mesters, J.R. | Deposit date: | 2012-09-04 | Release date: | 2013-07-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fungal Effector Ecp6 Outcompetes Host Immune Receptor for Chitin Binding Through Intrachain Lysm Dimerization Elife, 2, 2013
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4H9W
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![BU of 4h9w by Molmil](/molmil-images/mine/4h9w) | crystal structure of a METHIONINE mutant of WCI | Descriptor: | Chymotrypsin inhibitor 3 | Authors: | Majumder, S, Sen, U. | Deposit date: | 2012-09-25 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A conserved tryptophan (W91) at the barrel-lid junction modulates the packing and stability of Kunitz (STI) family of inhibitors. Biochim.Biophys.Acta, 1854, 2015
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4INJ
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![BU of 4inj by Molmil](/molmil-images/mine/4inj) | Crystal structure of the S111A mutant of member of MccF clade from Listeria monocytogenes EGD-e with product | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Lmo1638 protein, ... | Authors: | Nocek, B, Tikhonov, A, Severinov, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2013-01-04 | Release date: | 2013-02-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of the S111A mutant of member of MccF clade from Listeria monocytogenes EGD-e with product To be Published
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8P67
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![BU of 8p67 by Molmil](/molmil-images/mine/8p67) | Crystal structure of Thermothelomyces thermophila (double mutant EE) in complex with aldotetrauronic acid | Descriptor: | 1,2-ETHANEDIOL, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, GH30 family xylanase, ... | Authors: | Dimarogona, M, Pentari, C, Kosinas, C, Topakas, E. | Deposit date: | 2023-05-25 | Release date: | 2024-05-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structural and molecular insights into a bifunctional glycoside hydrolase 30 xylanase specific to glucuronoxylan. Biotechnol.Bioeng., 121, 2024
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4A6R
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![BU of 4a6r by Molmil](/molmil-images/mine/4a6r) | Crystal structure of the omega transaminase from Chromobacterium violaceum in the apo form, crystallised from polyacrylic acid | Descriptor: | OMEGA TRANSAMINASE, POLYACRYLIC ACID | Authors: | Logan, D.T, Hakansson, M, Yengo, K, Svedendahl Humble, M, Engelmark Cassimjee, K, Walse, B, Abedi, V, Federsel, H.-J, Berglund, P. | Deposit date: | 2011-11-08 | Release date: | 2012-01-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.349 Å) | Cite: | Crystal Structures of the Chromobacterium Violaceum Omega-Transaminase Reveal Major Structural Rearrangements Upon Binding of Coenzyme Plp. FEBS J., 279, 2012
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4B9Z
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![BU of 4b9z by Molmil](/molmil-images/mine/4b9z) | Crystal Structure of Agd31B, alpha-transglucosylase, complexed with Acarbose | Descriptor: | 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ALPHA-GLUCOSIDASE, ... | Authors: | Larsbrink, J, Izumi, A, Hemsworth, G.R, Davies, G.J, Brumer, H. | Deposit date: | 2012-09-09 | Release date: | 2012-11-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Enzymology of Cellvibrio Japonicus Agd31B Reveals Alpha-Transglucosylase Activity in Glycoside Hydrolase Family 31 J.Biol.Chem., 287, 2012
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7Y17
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![BU of 7y17 by Molmil](/molmil-images/mine/7y17) | |
430D
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![BU of 430d by Molmil](/molmil-images/mine/430d) | STRUCTURE OF SARCIN/RICIN LOOP FROM RAT 28S RRNA | Descriptor: | MAGNESIUM ION, SARCIN/RICIN LOOP FROM RAT 28S R-RNA | Authors: | Correll, C.C, Munishkin, A, Chan, Y.L, Ren, Z, Wool, I.G, Steitz, T.A. | Deposit date: | 1998-10-04 | Release date: | 1998-10-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of the ribosomal RNA domain essential for binding elongation factors. Proc.Natl.Acad.Sci.USA, 95, 1998
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7Y18
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![BU of 7y18 by Molmil](/molmil-images/mine/7y18) | |
4AMW
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![BU of 4amw by Molmil](/molmil-images/mine/4amw) | CRYSTAL STRUCTURE OF THE GRACILARIOPSIS LEMANEIFORMIS ALPHA-1,4- GLUCAN LYASE Covalent Intermediate Complex with 5-fluoro-idosyl- fluoride | Descriptor: | 5-fluoro-alpha-L-idopyranose, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, GLYCEROL, ... | Authors: | Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W. | Deposit date: | 2012-03-14 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism. J.Biol.Chem., 288, 2013
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4M3V
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![BU of 4m3v by Molmil](/molmil-images/mine/4m3v) | X-ray crystal structure of the ruthenium complex [Ru(Tap)2(dppz-{Me2})]2+ bound to d(TCGGTACCGA) | Descriptor: | (11,12-dimethyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium(2+), BARIUM ION, DNA decamer sequence | Authors: | Niyazi, H, Teixeira, S, Mitchell, E, Forsyth, T, Cardin, C. | Deposit date: | 2013-08-06 | Release date: | 2014-09-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | X-ray crystal structure of the ruthenium complex [Ru(Tap)2(dppz-{Me2})]2+ bound to d(TCGGTACCGA) To be Published
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4OQR
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![BU of 4oqr by Molmil](/molmil-images/mine/4oqr) | Structure of a CYP105AS1 mutant in complex with compactin | Descriptor: | CYP105AS1, Mevastatin, Compactin, ... | Authors: | Leys, D. | Deposit date: | 2014-02-10 | Release date: | 2015-02-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Single-step fermentative production of the cholesterol-lowering drug pravastatin via reprogramming of Penicillium chrysogenum. Proc.Natl.Acad.Sci.USA, 112, 2015
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4OZV
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![BU of 4ozv by Molmil](/molmil-images/mine/4ozv) | Crystal Structure of the periplasmic alginate lyase AlgL | Descriptor: | Alginate lyase, beta-D-mannopyranuronic acid | Authors: | Howell, P.L, Wolfram, F, Robinson, H, Arora, K. | Deposit date: | 2014-02-19 | Release date: | 2015-03-04 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.642 Å) | Cite: | The Pseudomonas aeruginosa homeostasis enzyme AlgL clears the periplasmic space of accumulated alginate during polymer biosynthesis. J.Biol.Chem., 298, 2022
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3ELC
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![BU of 3elc by Molmil](/molmil-images/mine/3elc) | Crystal structure of 2C-methyl-D-erythritol 2,4-clycodiphosphate synthase complexed with ligand | Descriptor: | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one, GERANYL DIPHOSPHATE, ... | Authors: | Hunter, W.N, Ramsden, N.L, Ulaganathan, V. | Deposit date: | 2008-09-22 | Release date: | 2009-08-25 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A structure-based approach to ligand discovery for 2C-methyl-D-erythritol-2,4-cyclodiphosphate synthase: a target for antimicrobial therapy J.Med.Chem., 52, 2009
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4F6L
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![BU of 4f6l by Molmil](/molmil-images/mine/4f6l) | |
7X78
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![BU of 7x78 by Molmil](/molmil-images/mine/7x78) | L-fuculose 1-phosphate aldolase | Descriptor: | L-fuculose phosphate aldolase, MAGNESIUM ION, SULFATE ION | Authors: | Lou, X, Zhang, Q, Bartlam, M. | Deposit date: | 2022-03-09 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural characterization of an L-fuculose-1-phosphate aldolase from Klebsiella pneumoniae. Biochem.Biophys.Res.Commun., 607, 2022
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4K8X
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![BU of 4k8x by Molmil](/molmil-images/mine/4k8x) | Binary complex of 9N DNA polymerase in the replicative state | Descriptor: | 1,2-ETHANEDIOL, 1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-y l}-3,3-dimethyl-3H-indolium, CHLORIDE ION, ... | Authors: | Betz, K, Diederichs, K, Marx, A. | Deposit date: | 2013-04-19 | Release date: | 2013-06-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structures of KOD and 9N DNA Polymerases Complexed with Primer Template Duplex Chembiochem, 14, 2013
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