1J9H
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![BU of 1j9h by Molmil](/molmil-images/mine/1j9h) | Crystal Structure of an RNA Duplex with Uridine Bulges | Descriptor: | 5'-R(*GP*UP*GP*UP*CP*GP*(CBR)P*AP*C)-3', CALCIUM ION | Authors: | Xiong, Y, Deng, J, Sudarsanakumar, C, Sundaralingam, M. | Deposit date: | 2001-05-25 | Release date: | 2001-10-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of an RNA duplex r(gugucgcac)(2) with uridine bulges. J.Mol.Biol., 313, 2001
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7F2D
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7F2I
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3NCG
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1P84
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![BU of 1p84 by Molmil](/molmil-images/mine/1p84) | HDBT inhibited Yeast Cytochrome bc1 Complex | Descriptor: | 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ... | Authors: | Palsdottir, H, Lojero, C.G, Trumpower, B.L, Hunte, C. | Deposit date: | 2003-05-06 | Release date: | 2003-07-29 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the yeast cytochrome bc1 complex with a hydroxyquinone anion Qo site inhibitor bound J.Biol.Chem., 278, 2003
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2PX1
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![BU of 2px1 by Molmil](/molmil-images/mine/2px1) | crystal structure of the complex of bovine lactoferrin C-lobe with Ribose at 2.5 A resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | Authors: | Mir, R, Vikram, G, Sinha, M, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2007-05-14 | Release date: | 2007-05-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | crystal structure of the complex of bovine lactoferrin C-lobe with Ribose at 2.5 A resolution To be Published
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1ODT
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![BU of 1odt by Molmil](/molmil-images/mine/1odt) | cephalosporin C deacetylase mutated, in complex with acetate | Descriptor: | ACETATE ION, CEPHALOSPORIN C DEACETYLASE | Authors: | Vincent, F, Charnock, S.J, Verschueren, K.H.G, Turkenburg, J.P, Scott, D.J, Offen, W.A, Roberts, S, Pell, G, Gilbert, H.J, Brannigan, J.A, Davies, G.J. | Deposit date: | 2003-02-20 | Release date: | 2003-07-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Multifunctional Xylooligosaccharide/Cephalosporin C Deacetylase Revealed by the Hexameric Structure of the Bacillus Subtilis Enzyme at 1.9A Resolution J.Mol.Biol., 330, 2003
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1ZOT
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![BU of 1zot by Molmil](/molmil-images/mine/1zot) | crystal structure analysis of the CyaA/C-Cam with PMEAPP | Descriptor: | (ADENIN-9-YL-ETHOXYMETHYL)-HYDROXYPHOSPHINYL-DIPHOSPHATE, CALCIUM ION, Calmodulin, ... | Authors: | Guo, Q, Tang, W.J. | Deposit date: | 2005-05-13 | Release date: | 2005-08-09 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for the interaction of Bordetella pertussis adenylyl cyclase toxin with calmodulin. Embo J., 24, 2005
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2NUV
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![BU of 2nuv by Molmil](/molmil-images/mine/2nuv) | Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with atenolol at 2.25 A resolution | Descriptor: | 2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | Authors: | Mir, R, Singh, N, Sinha, M, Sharma, S, Kaur, P, Singh, T.P. | Deposit date: | 2006-11-10 | Release date: | 2006-12-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal structure of the complex of C-terminal lobe of bovine lactoferrin with atenolol at 2.25 A resolution To be Published
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2VCP
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![BU of 2vcp by Molmil](/molmil-images/mine/2vcp) | Crystal structure of N-Wasp VC domain in complex with skeletal actin | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Gaucher, J.F, Didry, D, Carlier, M.F. | Deposit date: | 2007-09-26 | Release date: | 2008-11-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Interactions of isolated C-terminal fragments of neural Wiskott-Aldrich syndrome protein (N-WASP) with actin and Arp2/3 complex. J. Biol. Chem., 287, 2012
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2VGE
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![BU of 2vge by Molmil](/molmil-images/mine/2vge) | Crystal structure of the C-terminal region of human iASPP | Descriptor: | RELA-ASSOCIATED INHIBITOR | Authors: | Robinson, R.A, Lu, X, Jones, E.Y, Siebold, C. | Deposit date: | 2007-11-12 | Release date: | 2008-02-05 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Biochemical and Structural Studies of Aspp Proteins Reveal Differential Binding to P53, P63 and P73 Structure, 16, 2008
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2CVC
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![BU of 2cvc by Molmil](/molmil-images/mine/2cvc) | Crystal structure of High-Molecular Weight Cytochrome c from Desulfovibrio vulgaris (Hildenborough) | Descriptor: | HEME C, High-molecular-weight cytochrome c precursor | Authors: | Suto, K, Sato, M, Shibata, N, Kitamura, M, Morimoto, Y, Takayama, Y, Ozawa, K, Akutsu, H, Higuchi, Y, Yasuoka, N. | Deposit date: | 2005-06-02 | Release date: | 2006-06-06 | Last modified: | 2019-10-02 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of High-Molecular Weight Cytochrome c To be Published
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3X2Q
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![BU of 3x2q by Molmil](/molmil-images/mine/3x2q) | X-ray structure of cyanide-bound bovine heart cytochrome c oxidase in the fully oxidized state at 2.0 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Yano, N, Muramoto, K, Mochizuki, M, Shinzawa-Itoh, K, Yamashita, E, Yoshikawa, S, Tsukihara, T. | Deposit date: | 2014-12-26 | Release date: | 2015-06-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of cyanide-bound bovine heart cytochrome c oxidase in the fully oxidized state at 2.0 angstrom resolution. Acta Crystallogr F Struct Biol Commun, 71, 2015
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1TXP
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3ZK5
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![BU of 3zk5 by Molmil](/molmil-images/mine/3zk5) | PikC D50N mutant bound to the 10-DML analog with the 3-(N,N-dimethylamino)ethanoate anchoring group | Descriptor: | (3R,4S,5S,7R,9E,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-2,8-dioxooxacyclododec-9-en-4-yl N,N-dimethylglycinate, CYTOCHROME P450 HYDROXYLASE PIKC, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Podust, L.M. | Deposit date: | 2013-01-21 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Directing Group-Controlled Regioselectivity in an Enzymatic C-H Bond Oxygenation. J.Am.Chem.Soc., 136, 2014
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1F6A
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![BU of 1f6a by Molmil](/molmil-images/mine/1f6a) | Structure of the human ige-fc bound to its high affinity receptor fc(epsilon)ri(alpha) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, HIGH AFFINITY IMMUNOGLOBULIN EPSILON RECEPTOR ALPHA-SUBUNIT, ... | Authors: | Garman, S.C, Wurzburg, B.A, Tarchevskaya, S.S, Kinet, J.P, Jardetzky, T.S. | Deposit date: | 2000-06-20 | Release date: | 2000-07-20 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure of the Fc fragment of human IgE bound to its high-affinity receptor Fc (epsilon) RI (alpha). Nature, 406, 2000
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2KDH
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![BU of 2kdh by Molmil](/molmil-images/mine/2kdh) | The Solution Structure of Human Cardiac Troponin C in complex with the Green Tea Polyphenol; (-)-epigallocatechin-3-gallate | Descriptor: | (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate, CALCIUM ION, Troponin C, ... | Authors: | Robertson, I.M, Li, M.X, Sykes, B.D. | Deposit date: | 2009-01-09 | Release date: | 2009-06-16 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of human cardiac troponin C in complex with the green tea polyphenol, (-)-epigallocatechin 3-gallate J.Biol.Chem., 284, 2009
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5C5E
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![BU of 5c5e by Molmil](/molmil-images/mine/5c5e) | Structure of KaiA dimer in complex with C-terminal KaiC peptide at 2.8 A resolution | Descriptor: | 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[(sulfanylcarbonyl)amino]benzoic acid, Circadian clock protein KaiA, KaiC C-terminal peptide | Authors: | Pattanayek, R, Egli, M. | Deposit date: | 2015-06-19 | Release date: | 2015-08-05 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.82 Å) | Cite: | Protein-Protein Interactions in the Cyanobacterial Circadian Clock: Structure of KaiA Dimer in Complex with C-Terminal KaiC Peptides at 2.8 angstrom Resolution. Biochemistry, 54, 2015
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5C83
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![BU of 5c83 by Molmil](/molmil-images/mine/5c83) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 21 | Descriptor: | (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-25 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C7D
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![BU of 5c7d by Molmil](/molmil-images/mine/5c7d) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 17 | Descriptor: | (2R)-4-[2-(6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-24 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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4AYN
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![BU of 4ayn by Molmil](/molmil-images/mine/4ayn) | Structure of the C-terminal barrel of Neisseria meningitidis FHbp Variant 2 | Descriptor: | FACTOR H-BINDING PROTEIN, SULFATE ION | Authors: | Johnson, S, Tan, L, van der Veen, S, Caesar, J, Goicoechea De Jorge, E, Everett, R.J, Bai, X, Exley, R.M, Ward, P.N, Ruivo, N, Trivedi, K, Cumber, E, Jones, R, Newham, L, Staunton, D, Borrow, R, Pickering, M, Lea, S.M, Tang, C.M. | Deposit date: | 2012-06-21 | Release date: | 2012-11-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Design and Evaluation of Meningococcal Vaccines Through Structure-Based Modification of Host and Pathogen Molecules. Plos Pathog., 8, 2012
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1QBP
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4XQ0
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1ZGI
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![BU of 1zgi by Molmil](/molmil-images/mine/1zgi) | thrombin in complex with an oxazolopyridine inhibitor 21 | Descriptor: | (R)-2-(2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL)-N-(2,2-DIFLUORO-2-(PIPERIDIN-2-YL)ETHYL)OXAZOLO[4,5-C]PYRIDIN-4-AMINE, Hirudin, Thrombin | Authors: | Deng, J.Z, McMasters, D.R, Rabbat, P.M, Williams, P.D, Coburn, C.A, Yan, Y, Kuo, L.C, Lewis, S.D, Lucas, B.J, Krueger, J.A, Strulovici, B, Vacca, J.P, Lyle, T.A, Burgey, C.S. | Deposit date: | 2005-04-21 | Release date: | 2005-09-27 | Last modified: | 2013-03-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Development of an oxazolopyridine series of dual thrombin/factor Xa inhibitors via structure-guided lead optimization. Bioorg.Med.Chem.Lett., 15, 2005
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5YMV
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![BU of 5ymv by Molmil](/molmil-images/mine/5ymv) | Crystal structure of 9-mer peptide from influenza virus in complex with BF2*1201 | Descriptor: | ALA-VAL-LYS-GLY-VAL-GLY-THR-MET-VAL, Beta-2-microglobulin, Class I histocompatibility antigen, ... | Authors: | Xiao, J, Xiang, W, Qi, J, Chai, Y, Liu, W.J, Gao, G.F. | Deposit date: | 2017-10-22 | Release date: | 2018-10-24 | Last modified: | 2019-07-31 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | An Invariant Arginine in Common with MHC Class II Allows Extension at the C-Terminal End of Peptides Bound to Chicken MHC Class I. J Immunol., 201, 2018
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