2AK4
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![BU of 2ak4 by Molmil](/molmil-images/mine/2ak4) | Crystal Structure of SB27 TCR in complex with HLA-B*3508-13mer peptide | Descriptor: | Beta-2-microglobulin, EBV peptide LPEPLPQGQLTAY, HLA-B35 variant, ... | Authors: | Tynan, F.E, Burrows, S.R, Buckle, A.M, Clements, C.S, Borg, N.A, Miles, J.J, Beddoe, T, Whisstock, J.C, Wilce, M.C, Silins, S.L, Burrows, J.M, Kjer-Nielsen, L, Konstenko, L, Purcell, A.W, McCluskey, J, Rossjohn, J. | Deposit date: | 2005-08-03 | Release date: | 2005-10-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | T cell receptor recognition of a 'super-bulged' major histocompatibility complex class I-bound peptide Nat.Immunol., 6, 2005
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1JX0
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![BU of 1jx0 by Molmil](/molmil-images/mine/1jx0) | Chalcone Isomerase--Y106F mutant | Descriptor: | 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE, CHALCONE--FLAVONONE ISOMERASE 1, SULFATE ION | 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 (2.85 Å) | Cite: | Role of Hydrogen Bonds in the Reaction Mechanism of Chalcone Isomerase Biochemistry, 41, 2002
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6JSF
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![BU of 6jsf by Molmil](/molmil-images/mine/6jsf) | Crystal Structure of BACE1 in complex with N-(3-((4S,5S)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | Authors: | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | Deposit date: | 2019-04-08 | Release date: | 2019-08-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2. J.Med.Chem., 62, 2019
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4AYI
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![BU of 4ayi by Molmil](/molmil-images/mine/4ayi) | Structure of a complex between CCPs 6 and 7 of Human Complement Factor H and Neisseria meningitidis FHbp Variant 3 Wild type | Descriptor: | 1,2-ETHANEDIOL, COMPLEMENT FACTOR H, LIPOPROTEIN GNA1870 CCOMPND 7 | 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 (2.31 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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2P7T
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![BU of 2p7t by Molmil](/molmil-images/mine/2p7t) | Crystal Structure of KcsA mutant | Descriptor: | (1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE, FAB-A, FAB-B, ... | Authors: | Cordero-Morales, J.F, Vishwanath, J, Lewis, A, Valeria, V.R, Cortes, D.M, Roux, B, Perozo, E. | Deposit date: | 2007-03-20 | Release date: | 2007-10-09 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal Structure of KcsA mutant To be Published
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4NAE
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![BU of 4nae by Molmil](/molmil-images/mine/4nae) | PcrB from Geobacillus kaustophilus, with bound G1P | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Heptaprenylglyceryl phosphate synthase, SN-GLYCEROL-1-PHOSPHATE | Authors: | Peterhoff, D, Beer, B, Rajendran, C, Kumpula, E.P, Kapetaniou, E, Guldan, H, Wierenga, R.K, Sterner, R, Babinger, P. | Deposit date: | 2013-10-22 | Release date: | 2014-06-25 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A comprehensive analysis of the geranylgeranylglyceryl phosphate synthase enzyme family identifies novel members and reveals mechanisms of substrate specificity and quaternary structure organization. Mol.Microbiol., 92, 2014
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2AQU
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![BU of 2aqu by Molmil](/molmil-images/mine/2aqu) | Structure of HIV-1 protease bound to atazanavir | Descriptor: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, HIV-1 Protease | Authors: | Clemente, J.C, Coman, R.M, Thiaville, M.M, Janka, L.K, Jeung, J.A, Nukoolkarn, S, Govindasamy, L, Agbandje-McKenna, M, McKenna, R, Leelamanit, W, Goodenow, M.M, Dunn, B.M. | Deposit date: | 2005-08-18 | Release date: | 2006-08-29 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir. Biochemistry, 45, 2006
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2AQ1
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![BU of 2aq1 by Molmil](/molmil-images/mine/2aq1) | Crystal structure of T-cell receptor V beta domain variant complexed with superantigen SEC3 mutant | Descriptor: | Enterotoxin type C-3, T-cell receptor beta chain V | Authors: | Cho, S, Swaminathan, C.P, Yang, J, Kerzic, M.C, Guan, R, Kieke, M.C, Kranz, D.M, Mariuzza, R.A, Sundberg, E.J. | Deposit date: | 2005-08-17 | Release date: | 2006-03-21 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of affinity maturation and intramolecular cooperativity in a protein-protein interaction. Structure, 13, 2005
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2X10
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![BU of 2x10 by Molmil](/molmil-images/mine/2x10) | Crystal structure of the complete EphA2 ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, EPHRIN TYPE-A RECEPTOR 2 | Authors: | Seiradake, E, Harlos, K, Sutton, G, Aricescu, A.R, Jones, E.Y. | Deposit date: | 2009-12-21 | Release date: | 2010-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | An Extracellular Steric Seeding Mechanism for Eph-Ephrin Signalling Platform Assembly Nat.Struct.Mol.Biol., 17, 2010
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5AR8
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![BU of 5ar8 by Molmil](/molmil-images/mine/5ar8) | RIP2 Kinase Catalytic Domain (1 - 310) complex with Biphenylsulfonamide | Descriptor: | 2,6-bis(fluoranyl)-N-[3-[5-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2 | Authors: | Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L. | Deposit date: | 2015-09-24 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity. Bioorg.Med.Chem., 23, 2015
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6MMT
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![BU of 6mmt by Molmil](/molmil-images/mine/6mmt) | Triheteromeric NMDA receptor GluN1/GluN2A/GluN2A* in the '1-Knuckle' conformation, in complex with glycine and glutamate, in the presence of 1 micromolar zinc chloride, and at pH 7.4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor ionotropic, ... | Authors: | Jalali-Yazdi, F, Chowdhury, S, Yoshioka, C, Gouaux, E. | Deposit date: | 2018-10-01 | Release date: | 2018-11-28 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (7.46 Å) | Cite: | Mechanisms for Zinc and Proton Inhibition of the GluN1/GluN2A NMDA Receptor. Cell, 175, 2018
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3OIF
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![BU of 3oif by Molmil](/molmil-images/mine/3oif) | Crystal Structure of Enoyl-ACP Reductases I (FabI) from B. subtilis (complex with NAD and TCL) | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Kim, K.-H, Ha, B.H, Kim, S.J, Hong, S.K, Hwang, K.Y, Kim, E.E. | Deposit date: | 2010-08-19 | Release date: | 2011-01-05 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structures of Enoyl-ACP Reductases I (FabI) and III (FabL) from B. subtilis J.Mol.Biol., 406, 2011
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3P4C
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![BU of 3p4c by Molmil](/molmil-images/mine/3p4c) | Alternatingly modified 2'Fluoro RNA octamer f/rA2U2-R32 | Descriptor: | 5'-R(*(CFZ)P*GP*(AF2)P*AP*(UFT)P*UP*(CFZ)P*G)-3', STRONTIUM ION | 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: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Unexpected origins of the enhanced pairing affinity of 2'-fluoro-modified RNA. Nucleic Acids Res., 39, 2011
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3ZS2
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![BU of 3zs2 by Molmil](/molmil-images/mine/3zs2) | TyrB25,NMePheB26,LysB28,ProB29-insulin analogue crystal structure | Descriptor: | CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ... | Authors: | Antolikova, E, Zakova, L, Turkenburg, J.P, Watson, C.J, Hanclova, I, Sanda, M, Cooper, A, Kraus, T, Brzozowski, A.M, Jiracek, J.A. | Deposit date: | 2011-06-21 | Release date: | 2011-08-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Non-Equivalent Role of Inter- and Intramolecular Hydrogen Bonds in the Insulin Dimer Interface. J.Biol.Chem., 286, 2011
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3OJK
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![BU of 3ojk by Molmil](/molmil-images/mine/3ojk) | Structure of Co-substituted Homoprotocatechuate 2,3-Dioxygenase in complex with 4-nitrocatechol at 1.68 Ang resolution | Descriptor: | 4-NITROCATECHOL, CALCIUM ION, CHLORIDE ION, ... | Authors: | Fielding, A.J, Kovaleva, E.G, Farquhar, E.R, Lipscomb, J.D, Que Jr, L. | Deposit date: | 2010-08-23 | Release date: | 2010-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A hyperactive cobalt-substituted extradiol-cleaving catechol dioxygenase. J.Biol.Inorg.Chem., 16, 2011
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2AVU
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![BU of 2avu by Molmil](/molmil-images/mine/2avu) | Structure of the Escherichia coli FlhDC complex, a prokaryotic heteromeric regulator of transcription | Descriptor: | Flagellar transcriptional activator flhC, Transcriptional activator flhD, ZINC ION | Authors: | Wang, S, Fleming, R.T, Westbrook, E.M, Matsumura, P, McKay, D.B. | Deposit date: | 2005-08-30 | Release date: | 2005-12-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the Escherichia coli FlhDC Complex, a Prokaryotic Heteromeric Regulator of Transcription. J.Mol.Biol., 355, 2006
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4S1D
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![BU of 4s1d by Molmil](/molmil-images/mine/4s1d) | Structure of IgG1 Fab fragment in complex with Biotincytidinamide | Descriptor: | MAB M33 FAB FRAGMENT, heavy chain, light chain, ... | Authors: | Dengl, S, Hoffmann, E, Grote, M, Wagner, C, Mundigl, O, Georges, G, Theorey, I, Stubenrauch, K.-G, Bujotzek, A, Josel, H.-P, Dziadek, S, Benz, J, Brinkmann, U. | Deposit date: | 2015-01-13 | Release date: | 2015-03-04 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Hapten-directed spontaneous disulfide shuffling: a universal technology for site-directed covalent coupling of payloads to antibodies. Faseb J., 29, 2015
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2OSW
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![BU of 2osw by Molmil](/molmil-images/mine/2osw) | Endo-glycoceramidase II from Rhodococcus sp. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endoglycoceramidase II, SODIUM ION | Authors: | Caines, M.E.C, Strynadka, N.C.J. | Deposit date: | 2007-02-06 | Release date: | 2007-02-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Mechanistic Analyses of endo-Glycoceramidase II, a Membrane-associated Family 5 Glycosidase in the Apo and GM3 Ganglioside-bound Forms. J.Biol.Chem., 282, 2007
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1JF0
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![BU of 1jf0 by Molmil](/molmil-images/mine/1jf0) | The Crystal Structure of Obelin from Obelia geniculata at 1.82 A Resolution | Descriptor: | C2-HYDROPEROXY-COELENTERAZINE, Obelin | Authors: | Deng, L, Vysotski, E, Liu, Z.-J, Markova, S, Lee, J, Rose, J, Wang, B.-C. | Deposit date: | 2001-06-19 | Release date: | 2001-07-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | The Crystal Structure of Obelin from Obelia geniculata at 1.82 Angstrom Resolution To be Published
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4MVX
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![BU of 4mvx by Molmil](/molmil-images/mine/4mvx) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea (Chem 1356) | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-phenylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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4MWC
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![BU of 4mwc by Molmil](/molmil-images/mine/4mwc) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1540) | Descriptor: | 1-(3-{[(2-methyl-1-benzothiophen-3-yl)methyl]amino}propyl)-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.649 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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6JP4
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![BU of 6jp4 by Molmil](/molmil-images/mine/6jp4) | Crystal structure of the catalytic domain of a multi-domain alginate lyase Dp0100 from thermophilic bacterium Defluviitalea phaphyphila | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Alginate lyase, ... | Authors: | Ji, S.Q, Dix, S.R, Aziz, A, Sedelnikova, S.E, Li, F.L, Rice, D.W. | Deposit date: | 2019-03-25 | Release date: | 2019-10-30 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.069 Å) | Cite: | The molecular basis of endolytic activity of a multidomain alginate lyase fromDefluviitalea phaphyphila, a representative of a new lyase family, PL39. J.Biol.Chem., 294, 2019
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2AZP
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![BU of 2azp by Molmil](/molmil-images/mine/2azp) | Crystal Structure of PA1268 Solved by Sulfur SAD | Descriptor: | hypothetical protein PA1268 | Authors: | Liu, Y, Gorodichtchenskaia, E, Skarina, T, Yang, C, Joachimiak, A, Edwards, A, Pai, E.F, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2005-09-12 | Release date: | 2005-12-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Crystal Structure of PA1268 Solved by Sulfur SAD To be Published
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4MVY
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![BU of 4mvy by Molmil](/molmil-images/mine/4mvy) | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea (Chem 1387) | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-(3-hydroxyphenyl)urea, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | Deposit date: | 2013-09-24 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.314 Å) | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness. Plos Negl Trop Dis, 8, 2014
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2WIH
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![BU of 2wih by Molmil](/molmil-images/mine/2wih) | STRUCTURE OF CDK2-CYCLIN A WITH PHA-848125 | Descriptor: | CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, N,1,4,4-TETRAMETHYL-8-{[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]AMINO}-4,5-DIHYDRO-1H-PYRAZOLO[4,3-H]QUINAZOLINE-3-CARBOXAMIDE, ... | Authors: | Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M. | Deposit date: | 2009-05-13 | Release date: | 2009-07-28 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor. J.Med.Chem., 52, 2009
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