6JNH
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![BU of 6jnh by Molmil](/molmil-images/mine/6jnh) | Crystal structure of the complex of Phosphopantetheine adenylyltransferasefrom Acinetobacter baumannii with Ascorbic acid (Vitamin-C) at 2.0A resolution | Descriptor: | ASCORBIC ACID, Phosphopantetheine adenylyltransferase, SODIUM ION, ... | Authors: | Iqbal, N, Gupta, A, Sharm, P, Singh, T.P. | Deposit date: | 2019-03-14 | Release date: | 2019-03-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Ascorbic acid (Vitamin-C) at 2.0A resolution To Be Published
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6F28
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![BU of 6f28 by Molmil](/molmil-images/mine/6f28) | Crystal structure of the kainate receptor GluK3 ligand binding domain in complex with (S)-1-[2'-Amino-2'-carboxyethyl]-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione at resolution 2.4A | Descriptor: | (2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... | Authors: | Venskutonyte, R, Frydenvang, K, Kastrup, J.S. | Deposit date: | 2017-11-23 | Release date: | 2018-02-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | ( S)-2-Amino-3-(5-methyl-3-hydroxyisoxazol-4-yl)propanoic Acid (AMPA) and Kainate Receptor Ligands: Further Exploration of Bioisosteric Replacements and Structural and Biological Investigation. J. Med. Chem., 61, 2018
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2Y93
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![BU of 2y93 by Molmil](/molmil-images/mine/2y93) | Crystal Structure of cis-Biphenyl-2,3-dihydrodiol-2,3-dehydrogenase (BphB)from Pandoraea pnomenusa strain B-356. | Descriptor: | CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE | Authors: | Dhindwal, S, Patil, D.N, Kumar, P. | Deposit date: | 2011-02-11 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Biochemical Studies and Ligand-Bound Structures of Biphenyl Dehydrogenase from Pandoraea Pnomenusa Strain B-356 Reveal a Basis for Broad Specificity of the Enzyme. J.Biol.Chem., 286, 2011
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8KE3
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![BU of 8ke3 by Molmil](/molmil-images/mine/8ke3) | PylRS C-terminus domain mutant bound with D-3-trifluoromethylphenylalanine and AMPNP | Descriptor: | (2R)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Weng, J.H, Tsai, M.D, Wang, Y.S. | Deposit date: | 2023-08-11 | Release date: | 2023-11-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.89980984 Å) | Cite: | Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids. Front Genet, 14, 2023
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8KE5
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![BU of 8ke5 by Molmil](/molmil-images/mine/8ke5) | PylRS C-terminus domain mutant bound with D-3-chlorophenylalanine and AMPNP | Descriptor: | (2R)-2-azanyl-3-(3-chlorophenyl)propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Weng, J.H, Tsai, M.D, Wang, Y.S. | Deposit date: | 2023-08-11 | Release date: | 2023-11-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.900073 Å) | Cite: | Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids. Front Genet, 14, 2023
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8KE4
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![BU of 8ke4 by Molmil](/molmil-images/mine/8ke4) | PylRS C-terminus domain mutant bound with D-3-bromophenylalanine and AMPNP | Descriptor: | (2R)-2-azanyl-3-(3-bromophenyl)propanoic acid, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Weng, J.H, Tsai, M.D, Wang, Y.S. | Deposit date: | 2023-08-11 | Release date: | 2023-11-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75050962 Å) | Cite: | Rational design of the genetic code expansion toolkit for in vivo encoding of D-amino acids. Front Genet, 14, 2023
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4YI5
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![BU of 4yi5 by Molmil](/molmil-images/mine/4yi5) | Crystal structure of Gpb in complex with 4b | Descriptor: | Glycogen phosphorylase, muscle form, INOSINIC ACID, ... | Authors: | Kantsadi, A.L, Chatzileontiadou, D.S.M, Stravodimos, G.A, Leonidas, D.D. | Deposit date: | 2015-02-27 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Glycogen phosphorylase as a target for type 2 diabetes: synthetic, biochemical, structural and computational evaluation of novel N-acyl-N -( beta-D-glucopyranosyl) urea inhibitors. Curr Top Med Chem, 15, 2015
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1RV7
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![BU of 1rv7 by Molmil](/molmil-images/mine/1rv7) | Crystal structures of a Multidrug-Resistant HIV-1 Protease Reveal an Expanded Active Site Cavity | Descriptor: | N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE, protease | Authors: | Logsdon, B.C, Vickrey, J.F, Martin, P, Proteasa, G, Koepke, J.I, Terlecky, S.R, Wawrzak, Z, Winters, M.A, Merigan, T.C, Kovari, L.C. | Deposit date: | 2003-12-12 | Release date: | 2004-12-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structures of a multidrug-resistant human immunodeficiency virus type 1 protease reveal an expanded active-site cavity. J.Virol., 78, 2004
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1RPI
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![BU of 1rpi by Molmil](/molmil-images/mine/1rpi) | Crystal structures of a Multidrug-Resistant HIV-1 Protease Reveal an Expanded Active Site Cavity | Descriptor: | alpha-D-glucopyranose, protease | Authors: | Logsdon, B.C, Vickrey, J.F, Martin, P, Proteasa, G, Koepke, J.I, Terlecky, S.R, Wawrzak, Z, Winters, M.A, Merigan, T.C, Kovari, L.C. | Deposit date: | 2003-12-03 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal structures of a multidrug-resistant human immunodeficiency virus type 1 protease reveal an expanded active-site cavity. J.Virol., 78, 2004
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4MI3
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![BU of 4mi3 by Molmil](/molmil-images/mine/4mi3) | Crystal structure of Gpb in complex with SUGAR (N-{(2R)-2-METHYL-3-[4-(PROPAN-2-YL)PHENYL]PROPANOYL}-BETA-D-GLUCOPYRANOSYLAMINE) (S21) | Descriptor: | Glycogen phosphorylase, muscle form, N-{(2R)-2-methyl-3-[4-(propan-2-yl)phenyl]propanoyl}-beta-D-glucopyranosylamine | Authors: | Kantsadi, L.A, Chatzileontiadou, S.M.D, Leonidas, D.D. | Deposit date: | 2013-08-30 | Release date: | 2014-07-23 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure based inhibitor design targeting glycogen phosphorylase b. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-beta-d-glucopyranosylamines. Bioorg.Med.Chem., 22, 2014
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4WMZ
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![BU of 4wmz by Molmil](/molmil-images/mine/4wmz) | S. cerevisiae CYP51 complexed with fluconazole in the active site | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R, Wilbanks, S.M, Monk, B.C, Tyndall, J.D.A. | Deposit date: | 2014-10-09 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural Insights into Binding of the Antifungal Drug Fluconazole to Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase. Antimicrob.Agents Chemother., 59, 2015
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6J3M
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![BU of 6j3m by Molmil](/molmil-images/mine/6j3m) | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Pyrophosphate at 2.30A resolution | Descriptor: | CHLORIDE ION, PYROPHOSPHATE 2-, Phosphopantetheine adenylyltransferase, ... | Authors: | Singh, P.K, Gupta, A, Sharma, S, Singh, T.P. | Deposit date: | 2019-01-04 | Release date: | 2019-01-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Pyrophosphate at 2.30A resolution To Be Published
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1RQ9
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![BU of 1rq9 by Molmil](/molmil-images/mine/1rq9) | Crystal structures of a Multidrug-Resistant HIV-1 Protease Reveal an Expanded Active Site Cavity | Descriptor: | [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE, protease | Authors: | Logsdon, B.C, Vickrey, J.F, Martin, P, Proteasa, G, Koepke, J.I, Terlecky, S.R, Wawrzak, Z, Winters, M.A, Merigan, T.C, Kovari, L.C. | Deposit date: | 2003-12-04 | Release date: | 2004-12-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of a multidrug-resistant human immunodeficiency virus type 1 protease reveal an expanded active-site cavity. J.Virol., 78, 2004
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7ALD
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![BU of 7ald by Molmil](/molmil-images/mine/7ald) | |
6KKW
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![BU of 6kkw by Molmil](/molmil-images/mine/6kkw) | |
3AL4
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![BU of 3al4 by Molmil](/molmil-images/mine/3al4) | Crystal structure of the swine-origin A (H1N1)-2009 influenza A virus hemagglutinin (HA) reveals similar antigenicity to that of the 1918 pandemic virus | 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: | Zhang, W, Qi, J.X, Shi, Y, Li, Q, Yan, J.H, Gao, G.F. | Deposit date: | 2010-07-22 | Release date: | 2010-08-04 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.872 Å) | Cite: | Crystal structure of the swine-origin A (H1N1)-2009 influenza A virus hemagglutinin (HA) reveals similar antigenicity to that of the 1918 pandemic virus Protein Cell, 1, 2010
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1JWX
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![BU of 1jwx by Molmil](/molmil-images/mine/1jwx) | Chalcone Synthase--F215S mutant | Descriptor: | CHALCONE SYNTHASE 2 | Authors: | Jez, J.M, Bowman, M.E, Noel, J.P. | Deposit date: | 2001-09-05 | Release date: | 2002-07-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Expanding the biosynthetic repertoire of plant type III polyketide synthases by altering starter molecule specificity. Proc.Natl.Acad.Sci.USA, 99, 2002
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1DKW
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![BU of 1dkw by Molmil](/molmil-images/mine/1dkw) | CRYSTAL STRUCTURE OF TRIOSE-PHOSPHATE ISOMERASE WITH MODIFIED SUBSTRATE BINDING SITE | Descriptor: | TERTIARY-BUTYL ALCOHOL, TRIOSEPHOSPHATE ISOMERASE | Authors: | Norledge, B.V, Lambeir, A.M, Abagyan, R.A, Rottman, A, Fernandez, A.M, Filimonov, V.V, Peter, M.G, Wierenga, R.K. | Deposit date: | 1999-12-08 | Release date: | 2000-11-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Modeling, mutagenesis, and structural studies on the fully conserved phosphate-binding loop (loop 8) of triosephosphate isomerase: toward a new substrate specificity. Proteins, 42, 2001
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1ALX
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![BU of 1alx by Molmil](/molmil-images/mine/1alx) | GRAMICIDIN D FROM BACILLUS BREVIS (METHANOL SOLVATE) | Descriptor: | GRAMICIDIN A, METHANOL | Authors: | Burkhart, B.M, Langs, D.A, Smith, G.D, Courseille, C, Precigoux, G, Hospital, M, Pangborn, W.A, Duax, W.L. | Deposit date: | 1997-06-05 | Release date: | 1998-03-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Heterodimer Formation and Crystal Nucleation of Gramicidin D Biophys.J., 75, 1998
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1ALZ
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![BU of 1alz by Molmil](/molmil-images/mine/1alz) | GRAMICIDIN D FROM BACILLUS BREVIS (ETHANOL SOLVATE) | Descriptor: | ETHANOL, ILE-GRAMICIDIN C, VAL-GRAMICIDIN A | Authors: | Burkhart, B.M, Pangborn, W.A, Duax, W.L, Langs, D.A. | Deposit date: | 1997-06-06 | Release date: | 1998-03-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (0.86 Å) | Cite: | Heterodimer Formation and Crystal Nucleation of Gramicidin D Biophys.J., 75, 1998
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6JOG
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![BU of 6jog by Molmil](/molmil-images/mine/6jog) | Crystal structure of the complex of phospho pantetheine adenylyl transferase from Acinetobacter baumannii with two ascorbic acid (Vitamin-C) molecules. | Descriptor: | ASCORBIC ACID, Phosphopantetheine adenylyltransferase, SULFATE ION | Authors: | Viswanathan, V, Gupta, A, Bairagya, H.R, Sharma, S, Singh, T.P. | Deposit date: | 2019-03-20 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of the complex of phospho pantetheine adenylyl transferase from Acinetobacter baumannii with two ascorbic acid (Vitamin-C) molecules. To Be Published
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1UT6
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![BU of 1ut6 by Molmil](/molmil-images/mine/1ut6) | Structure of acetylcholinesterase (E.C. 3.1.1.7) complexed with N-9-(1',2',3',4'-Tetrahydroacridinyl)-1,8- diaminooctane at 2.4 angstroms resolution. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINESTERASE, N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-1,8-DIAMINOOCTANE | Authors: | Brumshtein, B, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.-P, Silman, I, Sussman, J.L. | Deposit date: | 2003-12-04 | Release date: | 2005-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Complexes of Alkylene-Linked Tacrine Dimers with Torpedo Californica Acetylcholinesterase: Binding of Bis(5)-Tacrine Produces a Dramatic Rearrangement in the Active-Site Gorge. J.Med.Chem., 49, 2006
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6JB1
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![BU of 6jb1 by Molmil](/molmil-images/mine/6jb1) | Structure of pancreatic ATP-sensitive potassium channel bound with repaglinide and ATPgammaS at 3.3A resolution | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, ATP-binding cassette sub-family C member 8 isoform X2, ATP-sensitive inward rectifier potassium channel 11, ... | Authors: | Chen, L, Ding, D, Wang, M, Wu, J.-X, Kang, Y. | Deposit date: | 2019-01-25 | Release date: | 2019-05-22 | Last modified: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | The Structural Basis for the Binding of Repaglinide to the Pancreatic KATPChannel. Cell Rep, 27, 2019
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3H32
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![BU of 3h32 by Molmil](/molmil-images/mine/3h32) | |
1E7W
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![BU of 1e7w by Molmil](/molmil-images/mine/1e7w) | One active site, two modes of reduction correlate the mechanism of leishmania pteridine reductase with pterin metabolism and antifolate drug resistance in trpanosomes | Descriptor: | 1,2-ETHANEDIOL, METHOTREXATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Gourley, D.G, Hunter, W.N. | Deposit date: | 2000-09-11 | Release date: | 2001-09-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Pteridine Reductase Mechanism Correlates Pterin Metabolism with Drug Resistance in Trypanosomatid Parasites. Nat.Struct.Biol., 8, 2001
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