2UWN
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![BU of 2uwn by Molmil](/molmil-images/mine/2uwn) | Crystal structure of Human Complement Factor H, SCR domains 6-8 (H402 risk variant), in complex with ligand. | Descriptor: | 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose, ACETATE ION, CHLORIDE ION, ... | Authors: | Prosser, B.E, Johnson, S, Roversi, P, Herbert, A.P, Blaum, B.S, Tyrrell, J, Jowitt, T.A, Clark, S.J, Terelli, E, Uhrin, D, Barlow, P.N, Sim, R.B, Day, A.J, Lea, S.M. | Deposit date: | 2007-03-22 | Release date: | 2007-10-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural Basis for Complement Factor H Linked Age-Related Macular Degeneration. J.Exp.Med., 204, 2007
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1ND4
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![BU of 1nd4 by Molmil](/molmil-images/mine/1nd4) | Crystal structure of aminoglycoside-3'-phosphotransferase-IIa | Descriptor: | ACETATE ION, Aminoglycoside 3'-phosphotransferase, KANAMYCIN A, ... | Authors: | Nurizzo, D, Shewry, S.C, Baker, E.N, Smith, C.A. | Deposit date: | 2002-12-06 | Release date: | 2003-09-16 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The crystal structure of aminoglycoside-3'-phosphotransferase-IIa, an enzyme responsible for antibiotic resistance J.Mol.Biol., 327, 2003
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2UW9
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![BU of 2uw9 by Molmil](/molmil-images/mine/2uw9) | STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH 4-(4-chloro-phenyl)-4-(4-(1H-pyrazol-4-yl)-phenyl)-piperidine | Descriptor: | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE, GLYCOGEN SYNTHASE KINASE-3 BETA, RAC-BETA SERINE/THREONINE-PROTEIN KINASE | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | Deposit date: | 2007-03-19 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery. J.Med.Chem., 50, 2007
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3NYA
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![BU of 3nya by Molmil](/molmil-images/mine/3nya) | Crystal structure of the human beta2 adrenergic receptor in complex with the neutral antagonist alprenolol | Descriptor: | (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, Beta-2 adrenergic receptor, Lysozyme, ... | Authors: | Brown, M.A, Wacker, D, Fenalti, G, Katritch, V, Abagyan, R, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | Deposit date: | 2010-07-14 | Release date: | 2010-08-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.16 Å) | Cite: | Conserved Binding Mode of Human beta(2) Adrenergic Receptor Inverse Agonists and Antagonist Revealed by X-ray Crystallography J.Am.Chem.Soc., 132, 2010
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3NZZ
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![BU of 3nzz by Molmil](/molmil-images/mine/3nzz) | Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD | Descriptor: | Cell invasion protein sipD, NICKEL (II) ION | Authors: | Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N. | Deposit date: | 2010-07-18 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate. Protein Sci., 20, 2011
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2UW8
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![BU of 2uw8 by Molmil](/molmil-images/mine/2uw8) | Structure of PKA-PKB chimera complexed with 2-(4-chloro-phenyl)-2- phenyl-ethylamine | Descriptor: | (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | Deposit date: | 2007-03-19 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery. J.Med.Chem., 50, 2007
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2UW3
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![BU of 2uw3 by Molmil](/molmil-images/mine/2uw3) | Structure of PKA-PKB chimera complexed with 5-methyl-4-phenyl-1H- pyrazole | Descriptor: | 3-METHYL-4-PHENYL-1H-PYRAZOLE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | Deposit date: | 2007-03-19 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
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1NIG
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![BU of 1nig by Molmil](/molmil-images/mine/1nig) | |
2UW2
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![BU of 2uw2 by Molmil](/molmil-images/mine/2uw2) | Crystal structure of human ribonucleotide reductase subunit R2 | Descriptor: | FE (III) ION, RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE M2 SUBUNIT | Authors: | Welin, M, Ogg, D, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg Schiavone, L, Hogbom, M, Kotenyova, T, Magnusdottir, A, Moche, M, Nilsson-Ehle, P, Nyman, T, Persson, C, Sagemark, J, Sundstrom, M, Stenmark, P, Uppenberg, J, Thorsell, A.G, Van Den Berg, S, Wallden, K, Weigelt, J, Nordlund, P. | Deposit date: | 2007-03-16 | Release date: | 2007-04-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of Human Ribonucleotide Reductase Subunit R2 To be Published
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2UVO
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![BU of 2uvo by Molmil](/molmil-images/mine/2uvo) | High Resolution Crystal Structure of Wheat Germ Agglutinin in Complex with N-Acetyl-D-Glucosamine | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, AGGLUTININ ISOLECTIN 1, ... | Authors: | Schwefel, D, Wittmann, V, Diederichs, K, Welte, W. | Deposit date: | 2007-03-13 | Release date: | 2008-05-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Structural Basis of Multivalent Binding to Wheat Germ Agglutinin. J.Am.Chem.Soc., 132, 2010
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1NIU
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![BU of 1niu by Molmil](/molmil-images/mine/1niu) | ALANINE RACEMASE WITH BOUND INHIBITOR DERIVED FROM L-CYCLOSERINE | Descriptor: | Alanine Racemase, D-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-N,O-CYCLOSERYLAMIDE | Authors: | Fenn, T.D, Stamper, G.F, Morollo, A.A, Ringe, D. | Deposit date: | 2002-12-26 | Release date: | 2003-09-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A side reaction of alanine racemase: transamination of cycloserine. Biochemistry, 42, 2003
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8Q34
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![BU of 8q34 by Molmil](/molmil-images/mine/8q34) | Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide | Authors: | MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M. | Deposit date: | 2023-08-03 | Release date: | 2024-02-07 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Mapping protein binding sites by photoreactive fragment pharmacophores. Commun Chem, 7, 2024
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1NBA
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![BU of 1nba by Molmil](/molmil-images/mine/1nba) | CRYSTAL STRUCTURE ANALYSIS, REFINEMENT AND ENZYMATIC REACTION MECHANISM OF N-CARBAMOYLSARCOSINE AMIDOHYDROLASE FROM ARTHROBACTER SP. AT 2.0 ANGSTROMS RESOLUTION | Descriptor: | N-CARBAMOYLSARCOSINE AMIDOHYDROLASE, SULFATE ION | Authors: | Romao, M.J, Turk, D, Gomis-Ruth, F.-Z, Huber, R, Schumacher, G, Mollering, H, Russmann, L. | Deposit date: | 1992-05-18 | Release date: | 1994-06-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure analysis, refinement and enzymatic reaction mechanism of N-carbamoylsarcosine amidohydrolase from Arthrobacter sp. at 2.0 A resolution. J.Mol.Biol., 226, 1992
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2UW4
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![BU of 2uw4 by Molmil](/molmil-images/mine/2uw4) | Structure of PKA-PKB chimera complexed with 2-(4-(5-methyl-1H-pyrazol- 4-yl)-phenyl)-ethylamine | Descriptor: | 2-[4-(3-METHYL-1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | Deposit date: | 2007-03-19 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
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2UW5
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![BU of 2uw5 by Molmil](/molmil-images/mine/2uw5) | Structure of PKA-PKB chimera complexed with (R)-2-(4-chloro-phenyl)- 2-(4-1H-pyrazol-4-yl)-phenyl)-ethylamine | Descriptor: | (2R)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | Deposit date: | 2007-03-19 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
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3NTG
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![BU of 3ntg by Molmil](/molmil-images/mine/3ntg) | Crystal structure of COX-2 with selective compound 23d-(R) | Descriptor: | (2R)-6,8-dichloro-7-(2-methylpropoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, J.L, Limburg, D, Graneto, M.J, Carter, J.C, Talley, J.J, Kiefer, J.R. | Deposit date: | 2010-07-04 | Release date: | 2010-10-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life. Bioorg.Med.Chem.Lett., 20, 2010
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8PTL
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![BU of 8ptl by Molmil](/molmil-images/mine/8ptl) | human PHOX2B C-terminal domain including the polyA fragment at 278K | Descriptor: | Paired mesoderm homeobox protein 2B | Authors: | Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J. | Deposit date: | 2023-07-14 | Release date: | 2024-03-13 | Method: | SOLUTION NMR | Cite: | Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions. Nat Commun, 15, 2024
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2UW7
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![BU of 2uw7 by Molmil](/molmil-images/mine/2uw7) | Structure of PKA-PKB chimera complexed with 4-(4-chloro-phenyl)-4-(4- (1H-pyrazol-4-yl)-phenyl)-piperidine | Descriptor: | 4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, CAMP-DEPENDENT PROTEIN KINASE, ... | Authors: | Davies, T.G, Saxty, G, Woodhead, S.J, Berdini, V, Verdonk, M.L, Wyatt, P.G, Boyle, R.G, Barford, D, Downham, R, Garrett, M.D, Carr, R.A. | Deposit date: | 2007-03-19 | Release date: | 2007-05-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery J.Med.Chem., 50, 2007
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4D9J
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![BU of 4d9j by Molmil](/molmil-images/mine/4d9j) | |
2VDA
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![BU of 2vda by Molmil](/molmil-images/mine/2vda) | Solution structure of the SecA-signal peptide complex | Descriptor: | MALTOPORIN, TRANSLOCASE SUBUNIT SECA | Authors: | Gelis, I, Bonvin, A.M.J.J, Keramisanou, D, Koukaki, M, Gouridis, G, Karamanou, S, Economou, A, Kalodimos, C.G. | Deposit date: | 2007-10-01 | Release date: | 2007-11-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural Basis for Signal-Sequence Recognition by the Translocase Motor Seca as Determined by NMR Cell(Cambridge,Mass.), 131, 2007
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8PUI
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![BU of 8pui by Molmil](/molmil-images/mine/8pui) | human PHOX2B C-terminal domain including the polyA fragment at 298K | Descriptor: | Paired mesoderm homeobox protein 2B | Authors: | Anton, R, Trevino, M.A, Pantoja-Uceda, D, Felix, S, Babu, M, Cabrita, E.J, Zweckstetter, M, Tinnefeld, P, Vera, A.M, Oroz, J. | Deposit date: | 2023-07-17 | Release date: | 2024-03-13 | Method: | SOLUTION NMR | Cite: | Alternative low-populated conformations prompt phase transitions in polyalanine repeat expansions. Nat Commun, 15, 2024
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3NWM
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![BU of 3nwm by Molmil](/molmil-images/mine/3nwm) | Crystal structure of a single chain construct composed of MHC class I H-2Kd, beta-2microglobulin and a peptide which is an autoantigen for type 1 diabetes | Descriptor: | Peptide/beta-2microglobulin/MHC class I H-2Kd chimeric protein | Authors: | Ramagopal, U.A, Samanta, D, Nathenson, S.G, Almo, S.C. | Deposit date: | 2010-07-09 | Release date: | 2011-07-06 | Last modified: | 2017-06-28 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and functional characterization of a single-chain peptide-MHC molecule that modulates both naive and activated CD8+ T cells. Proc.Natl.Acad.Sci.USA, 108, 2011
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1OKZ
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![BU of 1okz by Molmil](/molmil-images/mine/1okz) | Structure of human PDK1 kinase domain in complex with UCN-01 | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE 1, 7-HYDROXYSTAUROSPORINE, GLYCEROL, ... | Authors: | Komander, D, Kular, G.S, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2003-08-01 | Release date: | 2004-07-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structural Basis for Ucn-01 (7-Hydroxystaurosporine) Specificity and Pdk1 (3-Phosphoinositide-Dependent Protein Kinase-1) Inhibition Biochem.J., 375, 2003
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8PIZ
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![BU of 8piz by Molmil](/molmil-images/mine/8piz) | Neisseria meningitidis Type IV pilus SB-DATDH variant bound to the C24 nanobody | Descriptor: | 2,4-bisacetamido-2,4,6-trideoxy-beta-D-glucopyranose, C24 nanobody, Pilin, ... | Authors: | Fernandez-Martinez, D, Dumenil, G. | Deposit date: | 2023-06-22 | Release date: | 2024-04-03 | Method: | ELECTRON MICROSCOPY (2.75 Å) | Cite: | Cryo-EM structures of type IV pili complexed with nanobodies reveal immune escape mechanisms. Nat Commun, 15, 2024
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4CZ8
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![BU of 4cz8 by Molmil](/molmil-images/mine/4cz8) | Structure of the sodium proton antiporter PaNhaP from Pyrococcus abyssii at pH 8. | Descriptor: | CITRATE ANION, NA+/H+ ANTIPORTER, PUTATIVE, ... | Authors: | Woehlert, D, Kuhlbrandt, W, Yildiz, O. | Deposit date: | 2014-04-16 | Release date: | 2014-12-17 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structure and Substrate Ion Binding in the Sodium/Proton Antiporter Panhap. Elife, 3, 2014
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