6H7R
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4I9M
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![BU of 4i9m by Molmil](/molmil-images/mine/4i9m) | Structure of the N254Y/H258Y mutant of the phosphatidylinositol-specific phospholipase C from Staphylococcus aureus bound to HEPES | Descriptor: | 1-phosphatidylinositol phosphodiesterase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, SULFATE ION | Authors: | Goldstein, R.I, Cheng, J, Stec, B, Gershenson, A, Roberts, M.F. | Deposit date: | 2012-12-05 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The cation-pi box is a specific phosphatidylcholine membrane targeting motif. J.Biol.Chem., 288, 2013
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1DUM
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![BU of 1dum by Molmil](/molmil-images/mine/1dum) | NMR STRUCTURE OF [F5Y, F16W] MAGAININ 2 BOUND TO PHOSPHOLIPID VESICLES | Descriptor: | MAGAININ 2 | Authors: | Takeda, A, Wakamatsu, K, Tachi, T, Matsuzaki, K. | Deposit date: | 2000-01-18 | Release date: | 2001-06-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Effects of peptide dimerization on pore formation: Antiparallel disulfide-dimerized magainin 2 analogue. Biopolymers, 58, 2001
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6H36
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![BU of 6h36 by Molmil](/molmil-images/mine/6h36) | The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide. | Descriptor: | 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION | Authors: | Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R. | Deposit date: | 2018-07-17 | Release date: | 2018-12-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety. Eur J Med Chem, 163, 2018
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6YPL
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6YQU
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![BU of 6yqu by Molmil](/molmil-images/mine/6yqu) | CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH 2-MERCAPTOBENZOXAZOLE | Descriptor: | 3~{H}-1,3-benzoxazole-2-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Alterio, V, De Simone, G, Esposito, D. | Deposit date: | 2020-04-18 | Release date: | 2020-07-01 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.478 Å) | Cite: | 2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site. Chem.Commun.(Camb.), 56, 2020
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1O1A
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![BU of 1o1a by Molmil](/molmil-images/mine/1o1a) | MOLECULAR MODELS OF AVERAGED RIGOR CROSSBRIDGES FROM TOMOGRAMS OF INSECT FLIGHT MUSCLE | Descriptor: | SKELETAL MUSCLE ACTIN, SKELETAL MUSCLE MYOSIN II, SKELETAL MUSCLE MYOSIN II ESSENTIAL LIGHT CHAIN, ... | Authors: | Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A. | Deposit date: | 2002-11-18 | Release date: | 2002-12-04 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (70 Å) | Cite: | Molecular Modeling of Averaged Rigor Crossbridges from Tomograms of Insect Flight Muscle J.Struct.Biol., 138, 2002
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5KVJ
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3I85
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3WFW
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![BU of 3wfw by Molmil](/molmil-images/mine/3wfw) | Crystal Structure of the Closed Form of the HGbRL's Globin Domain | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Hemoglobin-like flavoprotein fused to Roadblock/LC7 domain, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Teh, A.H. | Deposit date: | 2013-07-24 | Release date: | 2014-08-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Open and Lys-His Hexacoordinated Closed Structures of a Globin with Swapped Proximal and Distal Sites. Sci Rep, 5, 2015
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4I9T
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![BU of 4i9t by Molmil](/molmil-images/mine/4i9t) | Structure of the H258Y mutant of the phosphatidylinositol-specific phospholipase C from Staphylococcus aureus | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, 1-phosphatidylinositol phosphodiesterase, SULFATE ION, ... | Authors: | Goldstein, R.I, Cheng, J, Stec, B, Gershenson, A, Roberts, M.F. | Deposit date: | 2012-12-05 | Release date: | 2013-04-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The cation-pi box is a specific phosphatidylcholine membrane targeting motif. J.Biol.Chem., 288, 2013
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6YE9
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![BU of 6ye9 by Molmil](/molmil-images/mine/6ye9) | Small-molecule inhibitor of 14-3-3 protein-protein interactions | Descriptor: | 14-3-3 protein sigma, MAGNESIUM ION, [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid | Authors: | Ottmann, C, Visser, E.J. | Deposit date: | 2020-03-24 | Release date: | 2021-03-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-based conversion of a promiscuous inhibitor to a selective stabilizer of protein-protein interactions To Be Published
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3WNR
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![BU of 3wnr by Molmil](/molmil-images/mine/3wnr) | Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | Descriptor: | CHLORIDE ION, GLYCEROL, Macrophage migration inhibitory factor, ... | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Rutledge, M.T, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | Deposit date: | 2013-12-16 | Release date: | 2014-03-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.008 Å) | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor Eur.J.Med.Chem., 93, 2015
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6YRI
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1EMA
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5LIY
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![BU of 5liy by Molmil](/molmil-images/mine/5liy) | Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK204 | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Fanfrlik, J, Kamlar, M, Vesely, J, Hobza, P, Podjarny, A. | Deposit date: | 2016-07-15 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors. Acs Chem.Biol., 11, 2016
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8D34
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6YR2
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8D3S
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6YR1
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8DEI
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![BU of 8dei by Molmil](/molmil-images/mine/8dei) | Structure of the Cac1 KER domain | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Maltodextrin-binding protein,Chromatin assembly factor 1 subunit p90 fusion, ... | Authors: | Rosas, R, Churchill, M.E.A. | Deposit date: | 2022-06-20 | Release date: | 2023-07-05 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | A novel single alpha-helix DNA-binding domain in CAF-1 promotes gene silencing and DNA damage survival through tetrasome-length DNA selectivity and spacer function. Elife, 12, 2023
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3ISB
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![BU of 3isb by Molmil](/molmil-images/mine/3isb) | Binary complex of human DNA polymerase beta with a gapped DNA | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*GP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Beard, W.A, Shock, D.D, Batra, V.K, Pedersen, L.C, Wilson, S.H. | Deposit date: | 2009-08-25 | Release date: | 2009-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | DNA polymerase beta substrate specificity: side chain modulation of the "A-rule". J.Biol.Chem., 284, 2009
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1NHE
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![BU of 1nhe by Molmil](/molmil-images/mine/1nhe) | Crystal structure of Lactose synthase complex with UDP | Descriptor: | ALPHA-LACTALBUMIN, BETA-1,4-GALACTOSYLTRANSFERASE, CALCIUM ION, ... | Authors: | Ramakrishnan, B, Qasba, P.K. | Deposit date: | 2002-12-19 | Release date: | 2003-01-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of lactose synthase reveals a large conformational change in its catalytic component, the beta-1,4-galactosyltransferase J.Mol.Biol., 310, 2001
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1NF5
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![BU of 1nf5 by Molmil](/molmil-images/mine/1nf5) | Crystal Structure of Lactose Synthase, Complex with Glucose | Descriptor: | 1,2-ETHANEDIOL, Alpha-lactalbumin, CALCIUM ION, ... | Authors: | Ramakrishnan, B, Qasba, P.K. | Deposit date: | 2002-12-13 | Release date: | 2002-12-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Lactose Synthase Reveals a Large Conformational Change in its Catalytic Component, the beta-1,4-galactosyltransferase J.Mol.Biol., 310, 2001
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5M3A
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![BU of 5m3a by Molmil](/molmil-images/mine/5m3a) | Crystal structure of BRD4 BROMODOMAIN 1 IN COMPLEX WITH LIGAND 2 | Descriptor: | 1,2-ETHANEDIOL, 3-methyl-6-(1-methyl-5-phenoxy-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine, Bromodomain-containing protein 4 | Authors: | Kessler, D, Mayer, M, Engelhardt, H, Wolkerstorfer, B, Geist, L. | Deposit date: | 2016-10-14 | Release date: | 2017-09-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Direct NMR Probing of Hydration Shells of Protein Ligand Interfaces and Its Application to Drug Design. J. Med. Chem., 60, 2017
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