5DR4
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![BU of 5dr4 by Molmil](/molmil-images/mine/5dr4) | Endothiapepsin in complex with fragment 231 | Descriptor: | 7-methyl-3,4-dihydro-2~{H}-pyrido[1,2-a]pyrimidin-3-ol, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2015-09-15 | Release date: | 2016-09-28 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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3ZET
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![BU of 3zet by Molmil](/molmil-images/mine/3zet) | Structure of a Salmonella typhimurium YgjD-YeaZ heterodimer. | Descriptor: | ADENOSINE MONOPHOSPHATE, CADMIUM ION, PROBABLE TRNA THREONYLCARBAMOYLADENOSINE BIOSYNTHESIS PROTEIN GCP, ... | Authors: | Nichols, C.E, Lamb, H.K, Thompson, P, El Omari, K, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2012-12-07 | Release date: | 2013-03-20 | Last modified: | 2013-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Crystal Structure of the Dimer of Two Essential Salmonella Typhimurium Proteins, Ygjd & Yeaz and Calorimetric Evidence for the Formation of a Ternary Ygjd-Yeaz-Yjee Complex. Protein Sci., 22, 2013
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7ATJ
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![BU of 7atj by Molmil](/molmil-images/mine/7atj) | RECOMBINANT HORSERADISH PEROXIDASE C1A COMPLEX WITH CYANIDE AND FERULIC ACID | Descriptor: | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, CALCIUM ION, CYANIDE ION, ... | Authors: | Henriksen, A, Smith, A.T, Gajhede, M. | Deposit date: | 1999-04-26 | Release date: | 2000-01-14 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | The structures of the horseradish peroxidase C-ferulic acid complex and the ternary complex with cyanide suggest how peroxidases oxidize small phenolic substrates. J.Biol.Chem., 274, 1999
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3C3U
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![BU of 3c3u by Molmil](/molmil-images/mine/3c3u) | Crystal structure of AKR1C1 in complex with NADP and 3,5-dichlorosalicylic acid | Descriptor: | 3,5-dichloro-2-hydroxybenzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Dhagat, U, El-Kabbani, O. | Deposit date: | 2008-01-28 | Release date: | 2008-08-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid J.Med.Chem., 51, 2008
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7O1V
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![BU of 7o1v by Molmil](/molmil-images/mine/7o1v) | Structure of a Minimal Photosystem I | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Nelson, N, Caspy, I, Lambrev, P. | Deposit date: | 2021-03-30 | Release date: | 2021-09-01 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.31 Å) | Cite: | Two-Dimensional Electronic Spectroscopy of a Minimal Photosystem I Complex Reveals the Rate of Primary Charge Separation. J.Am.Chem.Soc., 143, 2021
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8CGO
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![BU of 8cgo by Molmil](/molmil-images/mine/8cgo) | Structure of human butyrylcholinesterase in complex with N-{[2-(benzyloxy)-3-methoxyphenyl]methyl}-N-[3-(2-fluorophenyl)propyl]cyclobutanamine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 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, ... | Authors: | Brazzolotto, X, Pidany, F, Korabecny, J, Cahlikova, L, Nachon, F. | Deposit date: | 2023-02-06 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Highly selective butyrylcholinesterase inhibitors related to Amaryllidaceae alkaloids - Design, synthesis, and biological evaluation. Eur.J.Med.Chem., 252, 2023
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5JBL
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5J3H
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![BU of 5j3h by Molmil](/molmil-images/mine/5j3h) | Human insulin receptor domains L1-CR in complex with peptide S519C16 and 83-7 Fv | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Lawrence, M, Menting, J, Lawrence, C. | Deposit date: | 2016-03-30 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Insulin Mimetic Peptide Disrupts the Primary Binding Site of the Insulin Receptor. J.Biol.Chem., 291, 2016
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3BKD
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![BU of 3bkd by Molmil](/molmil-images/mine/3bkd) | High resolution Crystal structure of Transmembrane domain of M2 protein | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Transmembrane Domain of Matrix protein M2, ... | Authors: | Stouffer, A.L, Acharya, R, Salom, D. | Deposit date: | 2007-12-06 | Release date: | 2008-01-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural basis for the function and inhibition of an influenza virus proton channel Nature, 451, 2008
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5BKE
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![BU of 5bke by Molmil](/molmil-images/mine/5bke) | Crystal structure of AAD-2 in complex with Mn(II) and N-oxalylglycine | Descriptor: | Alpha-ketoglutarate-dependent 2,4-dichlorophenoxyacetate dioxygenase, MANGANESE (II) ION, N-OXALYLGLYCINE, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2019-06-02 | Release date: | 2019-06-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants. Proc.Natl.Acad.Sci.USA, 116, 2019
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7KH7
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![BU of 7kh7 by Molmil](/molmil-images/mine/7kh7) | Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg2+, NADPH, and NSC116565 | Descriptor: | 6-hydroxy-2-methyl[1,3]thiazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione, Ketol-acid reductoisomerase (NADP(+)), MAGNESIUM ION, ... | Authors: | Kurz, J.L, Patel, K.P, Guddat, L.W. | Deposit date: | 2020-10-20 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.63 Å) | Cite: | Discovery of a Pyrimidinedione Derivative with Potent Inhibitory Activity against Mycobacterium tuberculosis Ketol-Acid Reductoisomerase. Chemistry, 27, 2021
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6P3P
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![BU of 6p3p by Molmil](/molmil-images/mine/6p3p) | Crystal structure of Mcl-1 in complex with compound 65 | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate | Authors: | Toms, A.V, Follows, B. | Deposit date: | 2019-05-24 | Release date: | 2019-07-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of novel biaryl sulfonamide based Mcl-1 inhibitors. Bioorg.Med.Chem.Lett., 29, 2019
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3C7M
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![BU of 3c7m by Molmil](/molmil-images/mine/3c7m) | Crystal structure of reduced DsbL | Descriptor: | CADMIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Stirnimann, C.U, Grimshaw, J.P.A, Glockshuber, R, Grutter, M.G, Capitani, G. | Deposit date: | 2008-02-07 | Release date: | 2008-07-15 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | DsbL and DsbI form a specific dithiol oxidase system for periplasmic arylsulfate sulfotransferase in uropathogenic Escherichia coli. J.Mol.Biol., 380, 2008
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5BKC
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![BU of 5bkc by Molmil](/molmil-images/mine/5bkc) | Crystal structure of AAD-1 in complex with (R)-diclofop, Mn(II), and 2-oxoglutarate | Descriptor: | (2R)-2-{4-[(3,5-dichloropyridin-2-yl)oxy]phenoxy}propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2019-06-02 | Release date: | 2019-06-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants. Proc.Natl.Acad.Sci.USA, 116, 2019
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6VWA
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![BU of 6vwa by Molmil](/molmil-images/mine/6vwa) | |
5J5D
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5BKB
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![BU of 5bkb by Molmil](/molmil-images/mine/5bkb) | Crystal structure of AAD-1 in complex with (R)-dichlorprop, Mn(II), and 2-oxoglutarate | Descriptor: | (2R)-2-(2,4-dichlorophenoxy)propanoic acid, (R)-phenoxypropionate/alpha-ketoglutarate-dioxygenase, 2-OXOGLUTARIC ACID, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2019-06-02 | Release date: | 2019-06-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.582 Å) | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants. Proc.Natl.Acad.Sci.USA, 116, 2019
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2QU0
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![BU of 2qu0 by Molmil](/molmil-images/mine/2qu0) | Crystal structure determination of sheep methemoglobin at 2.7 Angstrom resolution | Descriptor: | Hemoglobin subunit alpha-1/2, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Neelagandan, K, Sathya Moorthy, Pon, Balasubramanian, M, Sundaresan, S, Ponnuswamy, M.N. | Deposit date: | 2007-08-03 | Release date: | 2008-08-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure determination of sheep(Ovis aries) methemoglobin at 2.7 angstrom resolution To be Published
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5MZO
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![BU of 5mzo by Molmil](/molmil-images/mine/5mzo) | UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum (open conformation) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N. | Deposit date: | 2017-02-01 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.48 Å) | Cite: | Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5N2J
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![BU of 5n2j by Molmil](/molmil-images/mine/5n2j) | UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum (closed form) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N. | Deposit date: | 2017-02-07 | Release date: | 2017-07-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (4.4 Å) | Cite: | Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7NS0
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![BU of 7ns0 by Molmil](/molmil-images/mine/7ns0) | Bacilladnavirus capsid structure | Descriptor: | Capsid protein VP2 | Authors: | Munke, A, Okamoto, K. | Deposit date: | 2021-03-05 | Release date: | 2022-07-20 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Primordial Capsid and Spooled ssDNA Genome Structures Unravel Ancestral Events of Eukaryotic Viruses. Mbio, 13, 2022
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2KXE
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![BU of 2kxe by Molmil](/molmil-images/mine/2kxe) | |
8DK7
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![BU of 8dk7 by Molmil](/molmil-images/mine/8dk7) | |
4V6I
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![BU of 4v6i by Molmil](/molmil-images/mine/4v6i) | Localization of the small subunit ribosomal proteins into a 6.1 A cryo-EM map of Saccharomyces cerevisiae translating 80S ribosome | Descriptor: | 18S rRNA, 25S rRNA, 40S ribosomal protein RACK1 (RACK1), ... | Authors: | Armache, J.-P, Jarasch, A, Anger, A.M, Villa, E, Becker, T, Bhushan, S, Jossinet, F, Habeck, M, Dindar, G, Franckenberg, S, Marquez, V, Mielke, T, Thomm, M, Berninghausen, O, Beatrix, B, Soeding, J, Westhof, E, Wilson, D.N, Beckmann, R. | Deposit date: | 2010-10-12 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (8.8 Å) | Cite: | Cryo-EM structure and rRNA model of a translating eukaryotic 80S ribosome at 5.5-A resolution. Proc.Natl.Acad.Sci.USA, 107, 2010
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5NV4
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![BU of 5nv4 by Molmil](/molmil-images/mine/5nv4) | UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum double mutant D611C:G1050C | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, UDP-glucose-glycoprotein glucosyltransferase-like protein, ... | Authors: | Roversi, P, Caputo, A.T, Hill, J, Alonzi, D.S, Zitzmann, N. | Deposit date: | 2017-05-03 | Release date: | 2017-07-26 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Interdomain conformational flexibility underpins the activity of UGGT, the eukaryotic glycoprotein secretion checkpoint. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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