3U8L
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![BU of 3u8l by Molmil](/molmil-images/mine/3u8l) | Crystal structure of the acetylcholine binding protein (AChBP) from Lymnaea stagnalis in complex with NS3570 (1-(5-phenylpyridin-3-yl)-1,4-diazepane) | Descriptor: | 1-(5-phenylpyridin-3-yl)-1,4-diazepane, Acetylcholine-binding protein, SULFATE ION | Authors: | Rohde, L.A.H, Ahring, P.K, Jensen, M.L, Nielsen, E.O, Peters, D, Helgstrand, C, Krintel, C, Harpsoe, K, Gajhede, M, Kastrup, J.S, Balle, T. | Deposit date: | 2011-10-17 | Release date: | 2011-12-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Intersubunit bridge formation governs agonist efficacy at nicotinic acetylcholine alpha 4 beta 2 receptors: unique role of halogen bonding revealed. J.Biol.Chem., 287, 2012
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3E45
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![BU of 3e45 by Molmil](/molmil-images/mine/3e45) | Q138F HincII bound to Noncognate DNA (GTGCAC) and Ca2+ | Descriptor: | 5'-D(*DGP*DCP*DCP*DGP*DGP*DTP*DGP*DCP*DAP*DCP*DCP*DGP*DGP*DC)-3', CALCIUM ION, SODIUM ION, ... | Authors: | Horton, N.C, Babic, A.C, Little, E.J, Manohar, V.M. | Deposit date: | 2008-08-08 | Release date: | 2008-08-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | DNA distortion and specificity in a sequence-specific endonuclease. J.Mol.Biol., 383, 2008
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1CA8
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![BU of 1ca8 by Molmil](/molmil-images/mine/1ca8) | Thrombin inhibitors with rigid tripeptidyl aldehydes | Descriptor: | 2-{(3S)-3-[(benzylsulfonyl)amino]-2-oxopiperidin-1-yl}-N-{(2S)-1-[(3S)-1-carbamimidoylpiperidin-3-yl]-3-oxopropan-2-yl}acetamide, HIRUGEN, SODIUM ION, ... | Authors: | Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K. | Deposit date: | 1998-04-27 | Release date: | 1999-04-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes Biochemistry, 37, 1998
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1JP7
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![BU of 1jp7 by Molmil](/molmil-images/mine/1jp7) | Crystal Structure of 5'-deoxy-5'-methylthioadenosine phosphorylase | Descriptor: | 5'-deoxy-5'-methylthioadenosine phosphorylase, SULFATE ION | Authors: | Appleby, T.C, Mathews, I.I, Porcelli, M, Cacciapuoti, G, Ealick, S.E. | Deposit date: | 2001-08-01 | Release date: | 2001-10-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus. J.Biol.Chem., 276, 2001
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4Q08
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![BU of 4q08 by Molmil](/molmil-images/mine/4q08) | Crystal structure of chimeric carbonic anhydrase XII with inhibitor | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2014-04-01 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
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6CIR
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![BU of 6cir by Molmil](/molmil-images/mine/6cir) | Human Cytochrome P450 17A1 in complex with inhibitor: abiraterone C6 oxime | Descriptor: | 6-oxime-17-(3-pyridyl)-androst-16-en-3-ol, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Scott, E.E, Fehl, C. | Deposit date: | 2018-02-25 | Release date: | 2018-06-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.648 Å) | Cite: | Structure-Based Design of Inhibitors with Improved Selectivity for Steroidogenic Cytochrome P450 17A1 over Cytochrome P450 21A2. J. Med. Chem., 61, 2018
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4CFE
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![BU of 4cfe by Molmil](/molmil-images/mine/4cfe) | Structure of full length human AMPK in complex with a small molecule activator, a benzimidazole derivative (991) | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Sanders, M.J, Carmena, D, Bright, N.J, Haire, L.F, Underwood, E, Patel, B.R, Heath, R.B, Walker, P.A, Hallen, S, Giordanetto, F, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2013-11-14 | Release date: | 2013-12-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.023 Å) | Cite: | Structural Basis of Ampk Regulation by Small Molecule Activators. Nat.Commun., 4, 2013
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1EXI
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![BU of 1exi by Molmil](/molmil-images/mine/1exi) | CRYSTAL STRUCTURE OF TRANSCRIPTION ACTIVATOR BMRR, FROM B. SUBTILIS, BOUND TO 21 BASE PAIR BMR OPERATOR AND TPSB | Descriptor: | DNA (5'-D(*AP*CP*CP*CP*TP*CP*CP*CP*CP*TP*TP*AP*GP*GP*GP*GP*AP*GP*GP*GP*T)-3'), MULTIDRUG-EFFLUX TRANSPORTER REGULATOR, TETRAPHENYLANTIMONIUM ION, ... | Authors: | Zheleznova-Heldwein, E.E, Brennan, R.G. | Deposit date: | 2000-05-02 | Release date: | 2001-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Crystal structure of the transcription activator BmrR bound to DNA and a drug. Nature, 409, 2001
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1ELX
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![BU of 1elx by Molmil](/molmil-images/mine/1elx) | E. COLI ALKALINE PHOSPHATASE MUTANT (S102A) | Descriptor: | ALKALINE PHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | Stec, B, Hehir, M, Brennan, C, Nolte, M, Kantrowitz, E.R. | Deposit date: | 1998-02-10 | Release date: | 1998-05-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Kinetic and X-ray structural studies of three mutant E. coli alkaline phosphatases: insights into the catalytic mechanism without the nucleophile Ser102. J.Mol.Biol., 277, 1998
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1IDC
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![BU of 1idc by Molmil](/molmil-images/mine/1idc) | ISOCITRATE DEHYDROGENASE FROM E.COLI (MUTANT K230M), STEADY-STATE INTERMEDIATE COMPLEX DETERMINED BY LAUE CRYSTALLOGRAPHY | Descriptor: | 2-OXALOSUCCINIC ACID, ISOCITRATE DEHYDROGENASE, MAGNESIUM ION | Authors: | Bolduc, J.M, Dyer, D.H, Scott, W.G, Singer, P, Sweet, R.M, Koshland Junior, D.E, Stoddard, B.L. | Deposit date: | 1995-01-18 | Release date: | 1996-03-08 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mutagenesis and Laue structures of enzyme intermediates: isocitrate dehydrogenase. Science, 268, 1995
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6D2Z
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![BU of 6d2z by Molmil](/molmil-images/mine/6d2z) | Structure of human Usb1 with uridine-adenosine, inactive H208Q mutant | Descriptor: | 5'-R(UP*A)-3'), CHLORIDE ION, U6 snRNA phosphodiesterase | Authors: | Nomura, Y, Montemayor, E.J, Butcher, S.E. | Deposit date: | 2018-04-14 | Release date: | 2018-09-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Structural and mechanistic basis for preferential deadenylation of U6 snRNA by Usb1. Nucleic Acids Res., 46, 2018
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1T32
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![BU of 1t32 by Molmil](/molmil-images/mine/1t32) | A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | Descriptor: | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, Cathepsin G, SULFATE ION | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E. | Deposit date: | 2004-04-23 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo. J.Biol.Chem., 280, 2005
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3HP6
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3I2B
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![BU of 3i2b by Molmil](/molmil-images/mine/3i2b) | The crystal structure of human 6 Pyruvoyl Tetrahydrobiopterin Synthase | Descriptor: | 1,2-ETHANEDIOL, 6-pyruvoyl tetrahydrobiopterin synthase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Ugochukwu, E, Cocking, R, Pilka, E, Yue, W.W, Bray, J.E, Chaikuad, A, Krojer, T, Muniz, J, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2009-06-29 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of human 6 Pyruvoyl Tetrahydrobiopterin Synthase To be Published
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3I3E
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![BU of 3i3e by Molmil](/molmil-images/mine/3i3e) | E. COLI (lacZ) BETA-GALACTOSIDASE (M542A) | Descriptor: | Beta-galactosidase, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Dugdale, M.L, Dymianiw, D, Minhas, B, Huber, R.E. | Deposit date: | 2009-06-30 | Release date: | 2010-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Role of Met-542 as a guide for the conformational changes of Phe-601 that occur during the reaction of β-galactosidase (Escherichia coli). Biochem.Cell Biol., 88, 2010
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1KHN
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![BU of 1khn by Molmil](/molmil-images/mine/1khn) | E. COLI ALKALINE PHOSPHATASE MUTANT (D153HD330N) ZINC FORM | Descriptor: | Alkaline phosphatase, ZINC ION | Authors: | Le Du, M.H, Lamoure, C, Muller, B.H, Bulgakov, O.V, Lajeunesse, E, Menez, A, Boulain, J.C. | Deposit date: | 2001-11-30 | Release date: | 2002-03-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Artificial evolution of an enzyme active site: structural studies of three highly active mutants of Escherichia coli alkaline phosphatase. J.Mol.Biol., 316, 2002
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1TGY
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![BU of 1tgy by Molmil](/molmil-images/mine/1tgy) | Structure of E. coli Uridine Phosphorylase complexed with uracil and ribose 1-phosphate | Descriptor: | 1-O-phosphono-alpha-D-ribofuranose, POTASSIUM ION, URACIL, ... | Authors: | Bu, W, Settembre, E.C, Sanders, J.M, Begley, T.P, Ealick, S.E. | Deposit date: | 2004-05-31 | Release date: | 2005-06-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of E. coli Uridine Phosphorylase To be Published, 2004
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1ELP
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![BU of 1elp by Molmil](/molmil-images/mine/1elp) | GAMMA-D CRYSTALLIN STRUCTURE AT 1.95 A RESOLUTION | Descriptor: | GAMMA-D CRYSTALLIN | Authors: | Chirgadze, Yu.N, Driessen, H.P.C, Wright, G, Slingsby, C, Hay, R.E, Lindley, P.F. | Deposit date: | 1995-12-20 | Release date: | 1996-06-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of bovine eye lens gammaD (gammaIIIb)-crystallin at 1.95 A. Acta Crystallogr.,Sect.D, 52, 1996
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1UKL
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![BU of 1ukl by Molmil](/molmil-images/mine/1ukl) | Crystal structure of Importin-beta and SREBP-2 complex | Descriptor: | Importin beta-1 subunit, Sterol regulatory element binding protein-2 | Authors: | Lee, S.J, Sekimoto, T, Yamashita, E, Nagoshi, E, Nakagawa, A, Imamoto, N, Yoshimura, M, Sakai, H, Tsukihara, T, Yoneda, Y. | Deposit date: | 2003-08-26 | Release date: | 2003-12-09 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Structure of Importin-beta Bound to SREBP-2: Nuclear Import of a Transcription Factor Science, 302, 2003
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2OHX
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6NK0
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![BU of 6nk0 by Molmil](/molmil-images/mine/6nk0) | EphA2 LBD in complex with bA-WLA-Yam peptide | Descriptor: | 1,2-ETHANEDIOL, 6-AMINOHEXANOIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Lechtenberg, B.C, Pasquale, E.B. | Deposit date: | 2019-01-04 | Release date: | 2019-05-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Engineering nanomolar peptide ligands that differentially modulate EphA2 receptor signaling. J.Biol.Chem., 294, 2019
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5DQO
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4PZH
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![BU of 4pzh by Molmil](/molmil-images/mine/4pzh) | Crystal structure of human carbonic anhydrase isozyme II with 2,3,5,6-tetrafluoro-4[(2-hydroxyethyl)sulfonyl]benzenesulfonamide | Descriptor: | 1,2-ETHANEDIOL, 2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ... | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2014-03-31 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
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4Q0L
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![BU of 4q0l by Molmil](/molmil-images/mine/4q0l) | Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor | Descriptor: | 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ZINC ION | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2014-04-02 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
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6NAG
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![BU of 6nag by Molmil](/molmil-images/mine/6nag) | |