1W7Z
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![BU of 1w7z by Molmil](/molmil-images/mine/1w7z) | Crystal structure of the free (uncomplexed) Ecballium elaterium trypsin inhibitor (EETI-II) | Descriptor: | FORMIC ACID, SODIUM ION, TRYPSIN INHIBITOR II | Authors: | Kraetzner, R, Debreczeni, J.E, Pape, T, Kolmar, H, Schneider, T.R, Uson, I, Scheldrick, G.M. | Deposit date: | 2004-09-14 | Release date: | 2005-11-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure of Ecballium Elaterium Trypsin Inhibitor II (Eeti-II): A Rigid Molecular Scaffold Acta Crystallogr.,Sect.D, 61, 2005
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2GL1
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![BU of 2gl1 by Molmil](/molmil-images/mine/2gl1) | NMR solution structure of Vigna radiata Defensin 2 (VrD2) | Descriptor: | PDF1 | Authors: | Lin, K.F, Lee, T.R, Tsai, P.H, Hsu, M.P, Chen, C.S, Lyu, P.C. | Deposit date: | 2006-04-04 | Release date: | 2007-04-03 | Last modified: | 2022-03-09 | Method: | SOLUTION NMR | Cite: | Structure-based protein engineering for alpha-amylase inhibitory activity of plant defensin. Proteins, 68, 2007
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4V69
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![BU of 4v69 by Molmil](/molmil-images/mine/4v69) | Ternary complex-bound E.coli 70S ribosome. | Descriptor: | 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Villa, E, Sengupta, J, Trabuco, L.G, LeBarron, J, Baxter, W.T, Shaikh, T.R, Grassucci, R.A, Nissen, P, Ehrenberg, M, Schulten, K, Frank, J. | Deposit date: | 2008-12-11 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (6.7 Å) | Cite: | Ribosome-induced changes in elongation factor Tu conformation control GTP hydrolysis Proc.Natl.Acad.Sci.USA, 106, 2009
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4UX6
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![BU of 4ux6 by Molmil](/molmil-images/mine/4ux6) | The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS) | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, NITRIC OXIDE SYNTHASE, INDUCIBLE, ... | Authors: | Cheshire, D.R, Andrews, G, Beaton, H.G, Birkinshaw, T, Boughton-Smith, N, Connolly, S, Cook, T.R, Cooper, A, Cooper, S.L, Cox, D, Dixon, J, Gensmantel, N, Hamley, P.J, Harrison, R, Hartopp, P, Kack, H, Luker, T, Mete, A, Millichip, I, Nicholls, D.J, Pimm, A.D, St-Gallay, S.A, Wallace, A.V. | Deposit date: | 2014-08-19 | Release date: | 2014-10-08 | Last modified: | 2018-01-17 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Discovery of Novel, Potent and Highly Selective Inhibitors of Inducible Nitric Oxide Synthase (Inos). Bioorg.Med.Chem.Lett., 21, 2011
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4V66
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![BU of 4v66 by Molmil](/molmil-images/mine/4v66) | Structure of the E. coli ribosome and the tRNAs in Post-accommodation state | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Devkota, B, Caulfield, T.R, Tan, R.-Z, Harvey, S.C. | Deposit date: | 2008-08-03 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | The Structure of the E. coli Ribosome Before and After Accommodation: Implications for Proofreading To be Published
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5INI
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![BU of 5ini by Molmil](/molmil-images/mine/5ini) | Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics | Descriptor: | HEXANOYL-COENZYME A, Putative carboxyl transferase | Authors: | Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Milligan, J.C, Osada, H, Tsai, S.C, Challis, G.L. | Deposit date: | 2016-03-07 | Release date: | 2016-12-28 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units. Nat Commun, 7, 2016
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8C24
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![BU of 8c24 by Molmil](/molmil-images/mine/8c24) | |
8C26
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![BU of 8c26 by Molmil](/molmil-images/mine/8c26) | |
4V65
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![BU of 4v65 by Molmil](/molmil-images/mine/4v65) | Structure of the E. coli ribosome in the Pre-accommodation state | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ... | Authors: | Devkota, B, Caulfield, T.R, Tan, R.-Z, Harvey, S.C. | Deposit date: | 2008-08-03 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | The Structure of the E. coli Ribosome Before and After Accommodation: Implications for Proofreading To be Published
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4WGI
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![BU of 4wgi by Molmil](/molmil-images/mine/4wgi) | A Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1) | Descriptor: | (2S)-2-[(2S,3R)-10-{[(4-fluorophenyl)sulfonyl]amino}-3-methyl-2-[(methyl{[4-(trifluoromethyl)phenyl]carbamoyl}amino)methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-5(6H)-yl]propanoic acid, FORMIC ACID, MAGNESIUM ION, ... | Authors: | Clifton, M.C, Fairman, J.W, Fang, C, D'Souza, B, Fulroth, B, Leed, A, McCarren, P, Wang, L, Wang, Y, Kaushik, V, Palmer, M, Wei, G, Golub, T.R, Hubbard, B.K, Serrano-Wu, M.H. | Deposit date: | 2014-09-18 | Release date: | 2014-11-19 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1). Acs Med.Chem.Lett., 5, 2014
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4GN2
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![BU of 4gn2 by Molmil](/molmil-images/mine/4gn2) | Crystal Structure of OXA-45, a Class D beta-lactamase with extended spectrum activity | Descriptor: | Oxacillinase | Authors: | Martin, J.D, Xiong, X.L, Catto, L.E, Toleman, M.A, Walsh, T.R, Clarke, A.R, Spencer, J. | Deposit date: | 2012-08-16 | Release date: | 2013-08-21 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural and Kinetic Characterization of OXA-45, a Class D beta-Lactamase with Extended Spectrum activity To be Published
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1MV2
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![BU of 1mv2 by Molmil](/molmil-images/mine/1mv2) | The tandem, Face-to-Face AP Pairs in 5'(rGGCAPGCCU)2 | Descriptor: | 5'-R(*GP*GP*CP*AP*(P5P)P*GP*CP*CP*U)-3' | Authors: | Znosko, B.M, Burkard, M.E, Krugh, T.R, Turner, D.H. | Deposit date: | 2002-09-24 | Release date: | 2002-12-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Molecular Recognition in Purine-Rich Internal Loops: Thermodynamic, Structural, and Dynamic Consequences of Purine for Adenine Substitutions in 5'(rGGCAAGCCU)2 Biochemistry, 41, 2002
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1MV6
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![BU of 1mv6 by Molmil](/molmil-images/mine/1mv6) | The tandem, Sheared PP Pairs in 5'(rGGCPPGCCU)2 | Descriptor: | 5'-R(*GP*GP*CP*(P5P)P*(P5P)P*GP*CP*CP*U)-3' | Authors: | Znosko, B.M, Burkard, M.E, Krugh, T.R, Turner, D.H. | Deposit date: | 2002-09-24 | Release date: | 2002-12-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Molecular Recognition in Purine-Rich Internal Loops: Thermodynamic, Structural, and Dynamic Consequences of Purine for Adenine Substitutions in 5'(rGGCAAGCCU)2 Biochemistry, 41, 2002
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1MUV
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![BU of 1muv by Molmil](/molmil-images/mine/1muv) | Sheared A(anti)-A(anti) Base Pairs in a Destabilizing 2x2 Internal Loop: The NMR Structure of 5'(rGGCAAGCCU)2 | Descriptor: | 5'-R(*GP*GP*CP*AP*AP*GP*CP*CP*U)-3' | Authors: | Znosko, B.M, Burkard, M.E, Schroeder, S.J, Krugh, T.R, Turner, D.H. | Deposit date: | 2002-09-24 | Release date: | 2002-12-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Sheared Aanti-Aanti Base Pairs in a Destabilizing 2x2 Internal Loop: The NMR Structure of
5'(rGGCAAGCCU)2 Biochemistry, 41, 2002
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1MV1
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![BU of 1mv1 by Molmil](/molmil-images/mine/1mv1) | The Tandem, Sheared PA Pairs in 5'(rGGCPAGCCU)2 | Descriptor: | 5'-R(*GP*GP*CP*(P5P)P*AP*GP*CP*CP*U)-3' | Authors: | Znosko, B.M, Burkard, M.E, Krugh, T.R, Turner, D.H. | Deposit date: | 2002-09-24 | Release date: | 2002-12-18 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Molecular Recognition in Purine-Rich Internal Loops: Thermodynamic, Structural, and Dynamic Consequences of Purine for Adenine Substitutions in 5'(rGGCAAGCCU)2 Biochemistry, 41, 2002
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7ZGE
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1EKA
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![BU of 1eka by Molmil](/molmil-images/mine/1eka) | NMR AND MOLECULAR MODELING REVEAL THAT DIFFERENT HYDROGEN BONDING PATTERNS ARE POSSIBLE FOR GU PAIRS: ONE HYDROGEN BOND FOR EACH GU PAIR IN R(GGCGUGCC)2 AND TWO FOR EACH GU PAIR IN R(GAGUGCUC)2 | Descriptor: | RNA (5'-R(*GP*AP*GP*UP*GP*CP*UP*C)-3') | Authors: | Chen, X, McDowell, J.A, Kierzek, R, Krugh, T.R, Turner, D.H. | Deposit date: | 2000-03-07 | Release date: | 2000-11-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance spectroscopy and molecular modeling reveal that different hydrogen bonding patterns are possible for G.U pairs: one hydrogen bond for each G.U pair in r(GGCGUGCC)(2) and two for each G.U pair in r(GAGUGCUC)(2). Biochemistry, 39, 2000
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1EM6
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![BU of 1em6 by Molmil](/molmil-images/mine/1em6) | HUMAN LIVER GLYCOGEN PHOSPHORYLASE A COMPLEXED WITH GLCNAC AND CP-526,423 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-AMINOETHYL]-ETHYLENE GLYCOL, LIVER GLYCOGEN PHOSPHORYLASE, ... | Authors: | Rath, V.L, Ammirati, M, Danley, D.E, Ekstrom, J.L, Hynes, T.R, Olson, T.V, Hoover, D.J. | Deposit date: | 2000-03-16 | Release date: | 2000-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Human liver glycogen phosphorylase inhibitors bind at a new allosteric site. Chem.Biol., 7, 2000
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1EKD
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![BU of 1ekd by Molmil](/molmil-images/mine/1ekd) | NMR AND MOLECULAR MODELING REVEAL THAT DIFFERENT HYDROGEN BONDING PATTERNS ARE POSSIBLE FOR GU PAIRS: ONE HYDROGEN BOND FOR EACH GU PAIR IN R(GGCGUGCC)2 AND TWO FOR EACH GU PAIR IN R(GAGUGCUC)2 | Descriptor: | RNA (5'-R(*GP*GP*CP*GP*UP*GP*CP*C)-3') | Authors: | Chen, X, McDowell, J.A, Kierzek, R, Krugh, T.R, Turner, D.H. | Deposit date: | 2000-03-07 | Release date: | 2000-11-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance spectroscopy and molecular modeling reveal that different hydrogen bonding patterns are possible for G.U pairs: one hydrogen bond for each G.U pair in r(GGCGUGCC)(2) and two for each G.U pair in r(GAGUGCUC)(2). Biochemistry, 39, 2000
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1EEK
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![BU of 1eek by Molmil](/molmil-images/mine/1eek) | SOLUTION STRUCTURE OF A NONPOLAR, NON HYDROGEN BONDED BASE PAIR SURROGATE IN DNA. | Descriptor: | 5'-D(*CP*GP*CP*AP*TP*(DFT)P*GP*TP*TP*AP*CP*C)-3', 5'-D(*GP*GP*TP*AP*AP*CP*(MBZ)P*AP*TP*GP*CP*G)-3' | Authors: | Kool, E.T, Krugh, T.R, Guckian, K.M. | Deposit date: | 2000-02-01 | Release date: | 2000-02-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of a Nonpolar, Non-Hydrogen-Bonded Base Pair Surrogate in DNA J.Am.Chem.Soc., 122, 2000
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1EXV
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![BU of 1exv by Molmil](/molmil-images/mine/1exv) | HUMAN LIVER GLYCOGEN PHOSPHORYLASE A COMPLEXED WITH GLCNAC AND CP-403,700 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, LIVER GLYCOGEN PHOSPHORYLASE, N-acetyl-beta-D-glucopyranosylamine, ... | Authors: | Rath, V.L, Ammirati, M, Danley, D.E, Ekstrom, J.L, Hynes, T.R, Olson, T.V, Hoover, D.J. | Deposit date: | 2000-05-04 | Release date: | 2000-11-01 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human liver glycogen phosphorylase inhibitors bind at a new allosteric site. Chem.Biol., 7, 2000
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1N41
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![BU of 1n41 by Molmil](/molmil-images/mine/1n41) | Crystal Structure of Annexin V K27E Mutant | Descriptor: | CALCIUM ION, SULFATE ION, annexin V | Authors: | Mo, Y.D, Campos, B, Mealy, T.R, Commodore, L, Head, J.F, Dedman, J.R, Seaton, B.A. | Deposit date: | 2002-10-30 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Interfacial basic cluster in annexin V couples phospholipid
binding and trimer formation on membrane surfaces J.Biol.Chem., 278, 2003
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1N44
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![BU of 1n44 by Molmil](/molmil-images/mine/1n44) | Crystal Structure of Annexin V R23E Mutant | Descriptor: | Annexin V, CALCIUM ION, SULFATE ION | Authors: | Mo, Y.D, Campos, B, Mealy, T.R, Commodore, L, Head, J.F, Dedman, J.R, Seaton, B.A. | Deposit date: | 2002-10-30 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Interfacial basic cluster in anexin V couples phospholipid binding and trimer formation on membrane surfaces J.Biol.Chem., 278, 2003
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1N42
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![BU of 1n42 by Molmil](/molmil-images/mine/1n42) | Crystal Structure of Annexin V R149E Mutant | Descriptor: | Annexin V, CALCIUM ION, SULFATE ION | Authors: | Mo, Y.D, Campos, B, Mealy, T.R, Commodore, L, Head, J.F, Dedman, J.R, Seaton, B.A. | Deposit date: | 2002-10-30 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Interfacial basic cluster in annexin V couples phospholipid binding and trimer formation on membrane surfaces J.Biol.Chem., 278, 2003
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7ZBG
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![BU of 7zbg by Molmil](/molmil-images/mine/7zbg) | Human Topoisomerase II Beta ATPase ADP | Descriptor: | 4-[(2S,3R)-3-[3,5-bis(oxidanylidene)piperazin-1-ium-1-yl]butan-2-yl]piperazin-4-ium-2,6-dione, ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2-beta, ... | Authors: | Ling, E.M, Basle, A, Cowell, I.G, Blower, T.R, Austin, C.A. | Deposit date: | 2022-03-23 | Release date: | 2022-05-25 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193. Structure, 30, 2022
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