4ER0
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![BU of 4er0 by Molmil](/molmil-images/mine/4er0) | Crystal Structure of human DOT1L in complex with inhibitor FED1 | Descriptor: | 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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4ER7
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![BU of 4er7 by Molmil](/molmil-images/mine/4er7) | Crystal Structure of human DOT1L in complex with inhibitor SGC0947 | Descriptor: | 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, GLYCEROL, Histone-lysine N-methyltransferase, ... | Authors: | Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-04-19 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors. Nat Commun, 3, 2012
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3S3Z
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3RUL
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![BU of 3rul by Molmil](/molmil-images/mine/3rul) | New strategy to analyze structures of glycopeptide-target complexes | Descriptor: | 10-METHYLUNDECANOIC ACID, 2-amino-2-deoxy-beta-D-glucopyranuronic acid, CHLORIDE ION, ... | Authors: | Economou, N.J, Nahoum, V, Weeks, S.D, Grasty, K.C, Loll, P.J. | Deposit date: | 2011-05-05 | Release date: | 2012-06-06 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A carrier protein strategy yields the structure of dalbavancin. J.Am.Chem.Soc., 134, 2012
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5O7Y
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![BU of 5o7y by Molmil](/molmil-images/mine/5o7y) | Thebaine 6-O-demethylase (T6ODM) from Papaver somniferum in complex with succinate | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICKEL (II) ION, ... | Authors: | Kluza, A, Niedzialkowska, E, Kurpiewska, K, Porebski, P.J, Borowski, T. | Deposit date: | 2017-06-10 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway. J. Struct. Biol., 202, 2018
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4F0Y
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![BU of 4f0y by Molmil](/molmil-images/mine/4f0y) | Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-IG from Acinetobacter haemolyticus, apo | Descriptor: | Aminoglycoside N(6')-acetyltransferase type 1, CHLORIDE ION, GLYCEROL, ... | Authors: | Stogios, P.J, Evdokimova, E, Dong, A, Minasov, G, Yim, V, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-05-05 | Release date: | 2012-05-16 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Structural and Biochemical Characterization of Acinetobacter spp. Aminoglycoside Acetyltransferases Highlights Functional and Evolutionary Variation among Antibiotic Resistance Enzymes. ACS Infect Dis., 3, 2017
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5A22
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![BU of 5a22 by Molmil](/molmil-images/mine/5a22) | Structure of the L protein of vesicular stomatitis virus from electron cryomicroscopy | Descriptor: | VESICULAR STOMATITIS VIRUS L POLYMERASE, ZINC ION | Authors: | Liang, B, Li, Z, Jenni, S, Rameh, A.A, Morin, B.M, Grant, T, Grigorieff, N, Harrison, S.C, Whelan, S.P.J. | Deposit date: | 2015-05-06 | Release date: | 2015-08-19 | Last modified: | 2019-04-24 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of the L Protein of Vesicular Stomatitis Virus from Electron Cryomicroscopy. Cell(Cambridge,Mass.), 162, 2015
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3Q6E
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![BU of 3q6e by Molmil](/molmil-images/mine/3q6e) | Human insulin in complex with cucurbit[7]uril | Descriptor: | Insulin A chain, Insulin B chain, cucurbit[7]uril | Authors: | Chinai, J.M, Taylor, A.B, Hargreaves, N.D, Ryno, L.M, Morris, C.A, Hart, P.J, Urbach, A.R. | Deposit date: | 2010-12-31 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Molecular recognition of insulin by a synthetic receptor. J.Am.Chem.Soc., 133, 2011
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5OJ5
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![BU of 5oj5 by Molmil](/molmil-images/mine/5oj5) | YCF48 bound to D1 peptide | Descriptor: | PHE-PRO-LEU-ASP-LEU-ALA, Ycf48-like protein | Authors: | Michoux, F, Nixon, P.J, Murray, J.W. | Deposit date: | 2017-07-20 | Release date: | 2018-08-08 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Ycf48 involved in the biogenesis of the oxygen-evolving photosystem II complex is a seven-bladed beta-propeller protein. Proc.Natl.Acad.Sci.USA, 115, 2018
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3QQD
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![BU of 3qqd by Molmil](/molmil-images/mine/3qqd) | Human SOD1 H80R variant, P212121 crystal form | Descriptor: | SULFATE ION, Superoxide dismutase [Cu-Zn], ZINC ION | Authors: | Seetharaman, S.V, Winkler, D.D, Taylor, A.B, Cao, X, Whitson, L.J, Doucette, P.A, Valentine, J.S, Schirf, V, Demeler, B, Carroll, M.C, Culotta, V.C, Hart, P.J. | Deposit date: | 2011-02-15 | Release date: | 2011-03-09 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.653 Å) | Cite: | Disrupted zinc-binding sites in structures of pathogenic SOD1 variants D124V and H80R. Biochemistry, 49, 2010
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4C3U
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![BU of 4c3u by Molmil](/molmil-images/mine/4c3u) | Extensive counter-ion interactions with subtilisin in aqueous medium, Cs derivative | Descriptor: | CALCIUM ION, CESIUM ION, CHLORIDE ION, ... | Authors: | Cianci, M, Negroni, J, Helliwell, J.R, Halling, P.J. | Deposit date: | 2013-08-27 | Release date: | 2014-08-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Extensive Counter-Ion Interactions Seen at the Surface of Subtilisin in an Aqueous Medium Rsc Adv, 2014
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4BSA
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![BU of 4bsa by Molmil](/molmil-images/mine/4bsa) | Crystal Structure of the Haemagglutinin (with Asn-133 Glycosylation) from an H7N9 Influenza Virus Isolated from Humans | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, ... | Authors: | Xiong, X, Haire, L.F, Martin, S.R, Wharton, S.A, Daniels, R.S, Bennett, M.S, McCauley, J.W, Collins, P.J, Walker, P.A, Skehel, J.J, Gamblin, S.J. | Deposit date: | 2013-06-10 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Receptor Binding by an H7N9 Influenza Virus from Humans Nature, 499, 2013
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1POG
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![BU of 1pog by Molmil](/molmil-images/mine/1pog) | SOLUTION STRUCTURE OF THE OCT-1 POU-HOMEO DOMAIN DETERMINED BY NMR AND RESTRAINED MOLECULAR DYNAMICS | Descriptor: | OCT-1 POU HOMEODOMAIN DNA-BINDING PROTEIN | Authors: | Cox, M, Van Tilborg, P.J.A, De Laat, W, Boelens, R, Van Leeuwen, H.C, Van Der Vliet, P.C, Kaptein, R. | Deposit date: | 1994-10-12 | Release date: | 1995-07-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of the Oct-1 POU homeodomain determined by NMR and restrained molecular dynamics. J.Biomol.NMR, 6, 1995
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4BSF
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![BU of 4bsf by Molmil](/molmil-images/mine/4bsf) | Human H7N9 Influenza Virus Haemagglutinin in Complex with Avian Receptor Analogue 3'-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HAEMAGGLUTININ HA1, ... | Authors: | Xiong, X, Haire, L.F, Martin, S.R, Wharton, S.A, Daniels, R.S, Bennett, M.S, McCauley, J.W, Collins, P.J, Walker, P.A, Skehel, J.J, Gamblin, S.J. | Deposit date: | 2013-06-10 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.76 Å) | Cite: | Receptor Binding by an H7N9 Influenza Virus from Humans Nature, 499, 2013
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4BNJ
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![BU of 4bnj by Molmil](/molmil-images/mine/4bnj) | Crystal structure of S. aureus FabI in complex with NADP and 5-methyl- 2-phenoxyphenol | Descriptor: | 5-methyl-2-phenoxyphenol, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | Deposit date: | 2013-05-15 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry, 52, 2013
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4BSH
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![BU of 4bsh by Molmil](/molmil-images/mine/4bsh) | H7N3 Avian Influenza Virus Haemagglutinin in Complex with Human Receptor Analogue 6'-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ, ... | Authors: | Xiong, X, Haire, L.F, Martin, S.R, Wharton, S.A, Daniels, R.S, Bennett, M.S, McCauley, J.W, Collins, P.J, Walker, P.A, Skehel, J.J, Gamblin, S.J. | Deposit date: | 2013-06-10 | Release date: | 2013-07-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Receptor Binding by an H7N9 Influenza Virus from Humans Nature, 499, 2013
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5O9W
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![BU of 5o9w by Molmil](/molmil-images/mine/5o9w) | Thebaine 6-O-demethylase (T6ODM) from Papaver somniferum in complex with 2-oxoglutarate | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Kluza, A, Niedzialkowska, E, Kurpiewska, K, Porebski, P.J, Borowski, T. | Deposit date: | 2017-06-20 | Release date: | 2018-02-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway. J. Struct. Biol., 202, 2018
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5DAE
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![BU of 5dae by Molmil](/molmil-images/mine/5dae) | |
4C70
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![BU of 4c70 by Molmil](/molmil-images/mine/4c70) | Crystal structure of M. tuberculosis C171Q KasA in complex with TLM4 | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, (5R)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]-3-propylthiophen-2(5H)-one, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ... | Authors: | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | Deposit date: | 2013-09-19 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis J.Biol.Chem., 288, 2013
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4BNN
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![BU of 4bnn by Molmil](/molmil-images/mine/4bnn) | Crystal structure of S. aureus FabI in complex with NADP and 2-(2- cyanophenoxy)-5-hexylphenol | Descriptor: | 2-(2-CYANOPHENOXY)-5-HEXYLPHENOL, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADPH], GLUTAMIC ACID, ... | Authors: | Schiebel, J, Chang, A, Bommineni, G.R, Tonge, P.J, Kisker, C. | Deposit date: | 2013-05-15 | Release date: | 2013-06-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry, 52, 2013
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4C6X
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![BU of 4c6x by Molmil](/molmil-images/mine/4c6x) | Crystal structure of M. tuberculosis C171Q KasA in complex with thiolactomycin (TLM) | Descriptor: | (2R)-2-(hexadecanoyloxy)-3-{[(10R)-10-methyloctadecanoyl]oxy}propyl phosphate, 1,2-ETHANEDIOL, 3-OXOACYL-[ACYL-CARRIER-PROTEIN] SYNTHASE 1, ... | Authors: | Schiebel, J, Kapilashrami, K, Fekete, A, Bommineni, G.R, Schaefer, C.M, Mueller, M.J, Tonge, P.J, Kisker, C. | Deposit date: | 2013-09-19 | Release date: | 2013-10-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Basis for the Recognition of Mycolic Acid Precursors by Kasa, a Condensing Enzyme and Drug Target from Mycobacterium Tuberculosis J.Biol.Chem., 288, 2013
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3TLS
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![BU of 3tls by Molmil](/molmil-images/mine/3tls) | The GLIC pentameric Ligand-Gated Ion Channel E19'P mutant in a locally-closed conformation (LC2 subtype) | Descriptor: | CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, Glr4197 protein | Authors: | Sauguet, L, Nury, H, Corringer, P.J, Delarue, M. | Deposit date: | 2011-08-30 | Release date: | 2012-05-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A locally closed conformation of a bacterial pentameric proton-gated ion channel. Nat.Struct.Mol.Biol., 19, 2012
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4F8G
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4FAM
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![BU of 4fam by Molmil](/molmil-images/mine/4fam) | Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid (17) | Descriptor: | 1,2-ETHANEDIOL, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid, Aldo-keto reductase family 1 member C3, ... | Authors: | Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A. | Deposit date: | 2012-05-22 | Release date: | 2012-10-10 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3 J.Med.Chem., 55, 2012
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7PHX
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![BU of 7phx by Molmil](/molmil-images/mine/7phx) | Tsetse thrombin inhibitor in complex with human alpha-thrombin - acid-stable sulfotyrosine analogue | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, SODIUM ION, Thrombin heavy chain, ... | Authors: | Pereira, P.J.B, Ripoll-Rozada, J, Calisto, B.M. | Deposit date: | 2021-08-18 | Release date: | 2021-10-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and evaluation of peptidic thrombin inhibitors bearing acid-stable sulfotyrosine analogues. Chem.Commun.(Camb.), 57, 2021
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