5D47
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![BU of 5d47 by Molmil](/molmil-images/mine/5d47) | Crystal Structure of FABP4 in complex with 3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1H-indol-1-yl] propanoic acid | Descriptor: | 3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1H-indol-1-yl]propanoic acid, Fatty acid-binding protein, adipocyte | Authors: | Tagami, U, Takahashi, K, Igarashi, S, Ejima, C, Yoshida, T, Takeshita, S, Miyanaga, W, Sugiki, M, Tokumasu, M, Hatanaka, T, Kashiwagi, T, Ishikawa, K, Miyano, H, Mizukoshi, T. | Deposit date: | 2015-08-07 | Release date: | 2016-06-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Interaction Analysis of FABP4 Inhibitors by X-ray Crystallography and Fragment Molecular Orbital Analysis Acs Med.Chem.Lett., 7, 2016
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3P50
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![BU of 3p50 by Molmil](/molmil-images/mine/3p50) | Structure of propofol bound to a pentameric ligand-gated ion channel, GLIC | Descriptor: | 2,6-BIS(1-METHYLETHYL)PHENOL, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Nury, H, Van Renterghem, C, Weng, Y, Tran, A, Baaden, M, Dufresne, V, Changeux, J.P, Sonner, J.M, Delarue, M, Corringer, P.J. | Deposit date: | 2010-10-07 | Release date: | 2011-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel Nature, 469, 2011
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3OQM
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![BU of 3oqm by Molmil](/molmil-images/mine/3oqm) | structure of ccpa-hpr-ser46p-ackA2 complex | Descriptor: | 5'-D(*TP*TP*GP*AP*TP*AP*AP*CP*GP*CP*TP*TP*AP*CP*AP*A)-3', 5'-D(*TP*TP*GP*TP*AP*AP*GP*CP*GP*TP*TP*AP*TP*CP*AP*A)-3', Catabolite control protein A, ... | Authors: | Schumacher, M.A, Sprehe, M, Bartholomae, M, Hillen, W, Brennan, R.G. | Deposit date: | 2010-09-03 | Release date: | 2010-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.96 Å) | Cite: | Structures of carbon catabolite protein A-(HPr-Ser46-P) bound to diverse catabolite response element sites reveal the basis for high-affinity binding to degenerate DNA operators. Nucleic Acids Res., 39, 2011
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1KR3
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![BU of 1kr3 by Molmil](/molmil-images/mine/1kr3) | Crystal Structure of the Metallo beta-Lactamase from Bacteroides fragilis (CfiA) in Complex with the Tricyclic Inhibitor SB-236050. | Descriptor: | 7,8-DIHYDROXY-1-METHOXY-3-METHYL-10-OXO-4,10-DIHYDRO-1H,3H-PYRANO[4,3-B]CHROMENE-9-CARBOXYLIC ACID, SODIUM ION, ZINC ION, ... | Authors: | Payne, D.J, Hueso-Rodrguez, J.A, Boyd, H, Concha, N.O, Janson, C.A, Gilpin, M, Bateson, J.H, Cheever, C, Niconovich, N.L, Pearson, S, Rittenhouse, S, Tew, D, Dez, E, Prez, P, de la Fuente, J, Rees, M, Rivera-Sagredo, A. | Deposit date: | 2002-01-08 | Release date: | 2003-01-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of a series of tricyclic natural products as potent broad-spectrum inhibitors of metallo-beta-lactamases ANTIMICROB.AGENTS CHEMOTHER., 46, 2002
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3P4W
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![BU of 3p4w by Molmil](/molmil-images/mine/3p4w) | Structure of desflurane bound to a pentameric ligand-gated ion channel, GLIC | Descriptor: | (2S)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane, DIUNDECYL PHOSPHATIDYL CHOLINE, DODECYL-BETA-D-MALTOSIDE, ... | Authors: | Nury, H, Van Renterghem, C, Weng, Y, Tran, A, Baaden, M, Dufresne, V, Changeux, J.P, Sonner, J.M, Delarue, M, Corringer, P.J. | Deposit date: | 2010-10-07 | Release date: | 2011-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | X-ray structures of general anaesthetics bound to a pentameric ligand-gated ion channel Nature, 469, 2011
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2PBF
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![BU of 2pbf by Molmil](/molmil-images/mine/2pbf) | Crystal structure of a putative protein-L-isoaspartate O-methyltransferase beta-aspartate methyltransferase (PCMT) from Plasmodium falciparum in complex with S-adenosyl-L-homocysteine | Descriptor: | Protein-L-isoaspartate O-methyltransferase beta-aspartate methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Wernimont, A.K, Hassanali, A, Lin, L, Lew, J, Zhao, Y, Ravichandran, M, Wasney, G, Vedadi, M, Kozieradzki, I, Bochkarev, A, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Hui, R, Qiu, W, Structural Genomics Consortium (SGC) | Deposit date: | 2007-03-28 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a putative protein-L-isoaspartate O-methyltransferase beta-aspartate methyltransferase (PCMT) from Plasmodium falciparum in complex with S-adenosyl-L-homocysteine To be Published
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1SDA
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![BU of 1sda by Molmil](/molmil-images/mine/1sda) | CRYSTAL STRUCTURE OF PEROXYNITRITE-MODIFIED BOVINE CU,ZN SUPEROXIDE DISMUTASE | Descriptor: | COPPER (II) ION, COPPER,ZINC SUPEROXIDE DISMUTASE, ZINC ION | Authors: | Smith, C.D, Carson, M, Van Der Woerd, M, Chen, J, Ischiropoulos, H, Beckman, J.S. | Deposit date: | 1993-01-13 | Release date: | 1993-10-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of peroxynitrite-modified bovine Cu,Zn superoxide dismutase. Arch.Biochem.Biophys., 299, 1992
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1KTX
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![BU of 1ktx by Molmil](/molmil-images/mine/1ktx) | KALIOTOXIN (1-37) SHOWS STRUCTURAL DIFFERENCES WITH RELATED POTASSIUM CHANNEL BLOCKERS | Descriptor: | KALIOTOXIN | Authors: | Fernandez, I, Romi, R, Szendefi, S, Martin-Eauclaire, M.-F, Rochat, H, Van Rietschtoten, J, Pons, M, Giralt, E. | Deposit date: | 1994-06-02 | Release date: | 1995-01-26 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Kaliotoxin (1-37) shows structural differences with related potassium channel blockers. Biochemistry, 33, 1994
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1SE6
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![BU of 1se6 by Molmil](/molmil-images/mine/1se6) | Crystal Structure of Streptomyces Coelicolor A3(2) CYP158A2 from antibiotic biosynthetic pathways | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, PROTOPORPHYRIN IX CONTAINING FE, SPERMINE (FULLY PROTONATED FORM), ... | Authors: | Zhao, B, Lamb, D.C, Lei, L, Sundaramoorthy, M, Podust, L.M, Waterman, M.R. | Deposit date: | 2004-02-16 | Release date: | 2005-01-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Binding of Two Flaviolin Substrate Molecules, Oxidative Coupling, and Crystal Structure of Streptomyces coelicolor A3(2) Cytochrome P450 158A2. J.Biol.Chem., 280, 2005
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3P4D
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![BU of 3p4d by Molmil](/molmil-images/mine/3p4d) | Alternatingly modified 2'Fluoro RNA octamer f/rC4G4 | Descriptor: | 5'-R(*(CFZ)P*CP*(CFZ)P*CP*(GF2)P*GP*(GF2)P*G)-3' | Authors: | Pallan, P.S, Greene, E.M, Jicman, P.A, Pandey, R.K, Manoharan, M, Rozners, E, Egli, M. | Deposit date: | 2010-10-06 | Release date: | 2011-01-05 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Unexpected origins of the enhanced pairing affinity of 2'-fluoro-modified RNA. Nucleic Acids Res., 39, 2011
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2Q9M
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![BU of 2q9m by Molmil](/molmil-images/mine/2q9m) | 4-Substituted Trinems as Broad Spectrum-Lactamase Inhibitors: Structure-based Design, Synthesis and Biological Activity | Descriptor: | (1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID, Beta-lactamase | Authors: | Plantan, I, Selic, L, Mesar, T, Stefanic Anderluh, P, Oblak, M, Prezelj, A, Hesse, L, Andrejasic, M, Vilar, M, Turk, D, Kocijan, A, Prevec, T, Vilfan, G, Kocjan, D, Copar, A, Urleb, U, Solmajer, T. | Deposit date: | 2007-06-13 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 4-Substituted Trinems as Broad Spectrum beta-Lactamase Inhibitors: Structure-Based Design, Synthesis, and Biological Activity J.Med.Chem., 50, 2007
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4NEK
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![BU of 4nek by Molmil](/molmil-images/mine/4nek) | Putative enoyl-CoA hydratase/carnithine racemase from Magnetospirillum magneticum AMB-1 | Descriptor: | DI(HYDROXYETHYL)ETHER, Enoyl-CoA hydratase/carnithine racemase | Authors: | Tkaczuk, K.L, Cooper, D.R, Geffken, K, Chapman, H.C, Stead, M, Hillerich, B, Ahmed, M, Bonanno, J.B, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-10-29 | Release date: | 2013-11-27 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Putative enoyl-CoA hydratase/carnithine racemase from Magnetospirillum magneticum AMB-1 To be Published
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2A38
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![BU of 2a38 by Molmil](/molmil-images/mine/2a38) | Crystal structure of the N-Terminus of titin | Descriptor: | CADMIUM ION, Titin | Authors: | Marino, M, Muhle-Goll, C, Svergun, D, Demirel, M, Mayans, O. | Deposit date: | 2005-06-24 | Release date: | 2006-06-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Ig doublet Z1Z2: a model system for the hybrid analysis of conformational dynamics in Ig tandems from titin Structure, 14, 2006
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3P27
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![BU of 3p27 by Molmil](/molmil-images/mine/3p27) | Crystal structure of S. cerevisiae Hbs1 protein (GDP-bound form), a translational GTPase involved in RNA quality control pathways and interacting with Dom34/Pelota | Descriptor: | Elongation factor 1 alpha-like protein, GUANOSINE-5'-DIPHOSPHATE | Authors: | van den Elzen, A, Henri, J, Lazar, N, Gas, M.E, Durand, D, Lacroute, F, Nicaise, M, van Tilbeurgh, H, Sraphin, B, Graille, M, Paris-Sud Yeast Structural Genomics (YSG) | Deposit date: | 2010-10-01 | Release date: | 2010-11-17 | Last modified: | 2012-03-14 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Dissection of Dom34-Hbs1 reveals independent functions in two RNA quality control pathways. Nat.Struct.Mol.Biol., 17, 2010
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1MIT
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![BU of 1mit by Molmil](/molmil-images/mine/1mit) | RECOMBINANT CUCURBITA MAXIMA TRYPSIN INHIBITOR V (RCMTI-V) (NMR, MINIMIZED AVERAGE STRUCTURE) | Descriptor: | TRYPSIN INHIBITOR V | Authors: | Cai, M, Gong, Y, Huang, Y, Liu, J, Prakash, O, Wen, L, Wen, J.J, Huang, J.-K, Krishnamoorthi, R. | Deposit date: | 1995-10-26 | Release date: | 1996-04-03 | Last modified: | 2017-11-29 | Method: | SOLUTION NMR | Cite: | Solution structure and backbone dynamics of recombinant Cucurbita maxima trypsin inhibitor-V determined by NMR spectroscopy. Biochemistry, 35, 1996
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1MKT
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3P3W
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![BU of 3p3w by Molmil](/molmil-images/mine/3p3w) | |
2ACK
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![BU of 2ack by Molmil](/molmil-images/mine/2ack) | ACETYLCHOLINESTERASE COMPLEXED WITH EDROPHONIUM, MONOCHROMATIC DATA | Descriptor: | ACETYLCHOLINESTERASE, EDROPHONIUM ION | Authors: | Raves, M.L, Sussman, J.L, Harel, M, Silman, I. | Deposit date: | 1997-10-29 | Release date: | 1998-02-11 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Static Laue diffraction studies on acetylcholinesterase. Acta Crystallogr.,Sect.D, 54, 1998
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1M1L
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![BU of 1m1l by Molmil](/molmil-images/mine/1m1l) | Human Suppressor of Fused (N-terminal domain) | Descriptor: | Suppressor of Fused | Authors: | Merchant, M, Vajdos, F.F, Ultsch, M, Maun, H.R, Wendt, U, Cannon, J, Lazarus, R.A, de Vos, A.M, de Sauvage, F.J. | Deposit date: | 2002-06-19 | Release date: | 2004-02-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Suppressor of fused regulates Gli activity through a dual binding mechanism Mol.Cell.Biol., 24, 2004
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1LCO
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![BU of 1lco by Molmil](/molmil-images/mine/1lco) | |
2NOO
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![BU of 2noo by Molmil](/molmil-images/mine/2noo) | Crystal Structure of Mutant NikA | Descriptor: | IODIDE ION, NICKEL (II) ION, Nickel-binding periplasmic protein | Authors: | Addy, C, Ohara, M, Kawai, F, Kidera, A, Ikeguchi, M, Fuchigami, S, Osawa, M, Shimada, I, Park, S.Y, Tame, J.R.H, Heddle, J.G. | Deposit date: | 2006-10-26 | Release date: | 2007-01-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Nickel binding to NikA: an additional binding site reconciles spectroscopy, calorimetry and crystallography. Acta Crystallogr.,Sect.D, 63, 2007
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2NQD
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![BU of 2nqd by Molmil](/molmil-images/mine/2nqd) | Crystal structure of cysteine protease inhibitor, chagasin, in complex with human cathepsin L | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin L, ... | Authors: | Redzynia, I, Bujacz, G, Ljunggren, A, Jaskolski, M, Abrahamson, M. | Deposit date: | 2006-10-31 | Release date: | 2007-07-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of the parasite protease inhibitor chagasin in complex with a host target cysteine protease J.Mol.Biol., 371, 2007
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1LWB
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![BU of 1lwb by Molmil](/molmil-images/mine/1lwb) | |
4JYL
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![BU of 4jyl by Molmil](/molmil-images/mine/4jyl) | Crystal structure of enoyl-CoA hydratase from Thermoplasma volcanium GSS1 | Descriptor: | CHLORIDE ION, Enoyl-CoA hydratase, SULFATE ION | Authors: | Shabalin, I.G, Cooper, D.R, Majorek, K.A, Mikolajczak, K, Porebski, P.J, Stead, M, Hillerich, B.S, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-03-29 | Release date: | 2013-04-17 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Crystal structure of enoyl-CoA hydratase from Thermoplasma volcanium GSS1 To be Published
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1LZZ
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![BU of 1lzz by Molmil](/molmil-images/mine/1lzz) | Rat neuronal NOS heme domain with N-isopropyl-N'-hydroxyguanidine bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-ISOPROPYL-N'-HYDROXYGUANIDINE, ... | Authors: | Li, H, Shimizu, H, Flinspach, M, Jamal, J, Yang, W, Xian, M, Cai, T, Wen, E.Z, Jia, Q, Wang, P.G, Poulos, T.L. | Deposit date: | 2002-06-11 | Release date: | 2002-11-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Novel Binding Mode of N-Alkyl-N'-Hydroxyguanidine to Neuronal Nitric Oxide
Synthase Provides Mechanistic Insights into NO Biosynthesis Biochemistry, 41, 2002
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