5F12
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![BU of 5f12 by Molmil](/molmil-images/mine/5f12) | WrbA in complex with FMN under crystallization conditions of WrbA-FMN-BQ structure (4YQE) | Descriptor: | FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone) | Authors: | Degtjarik, O, Brynda, J, Ettrichova, O, Kuta Smatanova, I, Carey, J, Ettrich, R. | Deposit date: | 2015-11-29 | Release date: | 2016-05-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA. J.Phys.Chem.B, 120, 2016
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2QIM
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![BU of 2qim by Molmil](/molmil-images/mine/2qim) | Crystal Structure of Pathogenesis-related Protein LlPR-10.2B from yellow lupine in complex with Cytokinin | Descriptor: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, CALCIUM ION, GLYCEROL, ... | Authors: | Fernandes, H.C, Pasternak, O, Bujacz, G, Bujacz, A, Sikorski, M.M, Jaskolski, M. | Deposit date: | 2007-07-05 | Release date: | 2008-04-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Lupinus luteus pathogenesis-related protein as a reservoir for cytokinin. J.Mol.Biol., 378, 2008
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2WU6
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![BU of 2wu6 by Molmil](/molmil-images/mine/2wu6) | Crystal Structure of the Human CLK3 in complex with DKI | Descriptor: | 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CHLORIDE ION, ... | Authors: | Muniz, J.R.C, Fedorov, O, King, O, Filippakopoulos, P, Bullock, A.N, Philips, C, Heightman, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | Deposit date: | 2009-09-30 | Release date: | 2009-10-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing. Chem.Biol, 18, 2011
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1FM4
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![BU of 1fm4 by Molmil](/molmil-images/mine/1fm4) | CRYSTAL STRUCTURE OF THE BIRCH POLLEN ALLERGEN BET V 1L | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, MAJOR POLLEN ALLERGEN BET V 1-L | Authors: | Markovic-Housley, Z, Degano, M, Lamba, D, von Roepenack-Lahaye, E, Clemens, S, Susani, M, Ferreira, F, Scheiner, O, Breiteneder, H. | Deposit date: | 2000-08-16 | Release date: | 2002-12-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Crystal Structure of a Hypoallergenic Isoform of the Major Birch Pollen Allergen Bet
v 1 and its Likely Biological Function as a Plant Steroid Carrier J.Mol.Biol., 325, 2003
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5IUQ
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![BU of 5iuq by Molmil](/molmil-images/mine/5iuq) | Galectin-3c in complex with Bisamido-thiogalactoside derivative 4 | Descriptor: | 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-beta-D-galactopyranosyl 3-deoxy-3-[(2,3,5,6-tetrafluoro-4-methoxybenzene-1-carbonyl)amino]-1-thio-beta-D-galactopyranoside, Galectin-3 | Authors: | Noresson, A.-L, Aurelius, O, Oberg, C.T, Engstrom, O, Sundin, A.P, Hakansson, M, Logan, D.T, Leffler, H, Nilsson, U.J. | Deposit date: | 2016-03-18 | Release date: | 2017-03-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.121 Å) | Cite: | Controlling protein:ligand complex conformation through tuning of arginine-arene interactions: Synthetic and structural studies with 3-benzamido-2-sulfo-galactosides as galectin-3 ligands To Be Published
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7ZBE
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![BU of 7zbe by Molmil](/molmil-images/mine/7zbe) | Dark state crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SwissFEL) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C, Diethelm, A, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, D, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V. | Deposit date: | 2022-03-23 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ultrafast structural changes direct the first molecular events of vision. Nature, 615, 2023
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7ZBC
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![BU of 7zbc by Molmil](/molmil-images/mine/7zbc) | Dark state crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SACLA) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C, Diethelm, A, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, S, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V. | Deposit date: | 2022-03-23 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ultrafast structural changes direct the first molecular events of vision. Nature, 615, 2023
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2X4F
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![BU of 2x4f by Molmil](/molmil-images/mine/2x4f) | The Crystal Structure of the human myosin light chain kinase LOC340156. | Descriptor: | 1,2-ETHANEDIOL, 4-(2-amino-4-methyl-1,3-thiazol-5-yl)-N-(3-dioxaziridin-3-ylphenyl)pyrimidin-2-amine, MYOSIN LIGHT CHAIN KINASE FAMILY MEMBER 4, ... | Authors: | Muniz, J.R.C, Mahajan, P, Rellos, P, Fedorov, O, Shrestha, B, Wang, J, Elkins, J.M, Daga, N, Cocking, R, Chaikuad, A, Krojer, T, Ugochukwu, E, Yue, W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Gileadi, O, Knapp, S. | Deposit date: | 2010-01-29 | Release date: | 2010-02-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | The Crystal Structure of the Human Myosin Light Chain Kinase Loc340156 To be Published
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2ROL
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![BU of 2rol by Molmil](/molmil-images/mine/2rol) | Structural Basis of PxxDY motif recognition in SH3 binding | Descriptor: | 12-meric peptide from T-cell surface glycoprotein CD3 epsilon chain, Epidermal growth factor receptor kinase substrate 8-like protein 1 | Authors: | Aitio, O, Hellman, M, Kesti, T, Kleino, I, Samuilova, O, Tossavainen, H, Paakkonen, K, Saksela, K, Permi, P. | Deposit date: | 2008-04-02 | Release date: | 2009-03-03 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Structural basis of PxxDY motif recognition in SH3 binding J.Mol.Biol., 382, 2008
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3IRU
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![BU of 3iru by Molmil](/molmil-images/mine/3iru) | Crystal structure of phoshonoacetaldehyde hydrolase like protein from Oleispira antarctica | Descriptor: | SODIUM ION, phoshonoacetaldehyde hydrolase like protein | Authors: | Chang, C, Evdokimova, E, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2009-08-24 | Release date: | 2009-09-01 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica. Nat Commun, 4, 2013
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1BLP
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![BU of 1blp by Molmil](/molmil-images/mine/1blp) | |
1PYY
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![BU of 1pyy by Molmil](/molmil-images/mine/1pyy) | Double mutant PBP2x T338A/M339F from Streptococcus pneumoniae strain R6 at 2.4 A resolution | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 6-O-octanoyl-beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose, Penicillin-binding protein 2X, ... | Authors: | Chesnel, L, Pernot, L, Lemaire, D, Champelovier, D, Croize, J, Dideberg, O, Vernet, T, Zapun, A. | Deposit date: | 2003-07-09 | Release date: | 2003-09-30 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | The Structural Modifications Induced by the M339F Substitution in PBP2x from Streptococcus pneumoniae Further Decreases the Susceptibility to beta-Lactams of Resistant Strains J.Biol.Chem., 278, 2003
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4V6M
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![BU of 4v6m by Molmil](/molmil-images/mine/4v6m) | Structure of the ribosome-SecYE complex in the membrane environment | 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-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 16S RIBOSOMAL RNA, ... | Authors: | Frauenfeld, J, Gumbart, J, van der Sluis, E.O, Funes, S, Gartmann, M, Beatrix, B, Mielke, T, Berninghausen, O, Becker, T, Schulten, K, Beckmann, R. | Deposit date: | 2011-02-08 | Release date: | 2014-07-09 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (7.1 Å) | Cite: | Cryo-EM structure of the ribosome-SecYE complex in the membrane environment. Nat.Struct.Mol.Biol., 18, 2011
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4UWP
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![BU of 4uwp by Molmil](/molmil-images/mine/4uwp) | Penta Zn1 coordination. Leu224 in VIM-26 from Klebsiella pneumoniae has implications for drug binding. | Descriptor: | METALLO-BETA-LACTAMASE VIM-26, ZINC ION | Authors: | Leiros, H.-K.S, Edvardsen, K.S.W, Bjerga, G.E.K, Samuelsen, O. | Deposit date: | 2014-08-14 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural and Biochemical Characterization of Vim-26 Show that Leu224 Has Implications for the Substrate Specificity of Vim Metallo-Beta-Lactamases. FEBS J., 282, 2015
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4V2T
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![BU of 4v2t by Molmil](/molmil-images/mine/4v2t) | Membrane embedded pleurotolysin pore with 13 fold symmetry | Descriptor: | PLEUROTOLYSIN A, PLEUROTOLYSIN B | Authors: | Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, Caradoc-Davies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R. | Deposit date: | 2014-10-15 | Release date: | 2015-02-18 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (11 Å) | Cite: | Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin. Plos Biol., 13, 2015
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6VX7
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![BU of 6vx7 by Molmil](/molmil-images/mine/6vx7) | bestrophin-2 Ca2+-bound state (5 mM Ca2+) | Descriptor: | Bestrophin, CALCIUM ION, CHLORIDE ION | Authors: | Owji, A.P, Zhao, Q, Ji, C, Kittredge, A, Hopiavuori, A, Fu, Z, Ward, N, Clarke, O, Shen, Y, Zhang, Y, Hendrickson, W.A, Yang, T. | Deposit date: | 2020-02-21 | Release date: | 2020-04-08 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (2.36 Å) | Cite: | Structural and functional characterization of the bestrophin-2 anion channel. Nat.Struct.Mol.Biol., 27, 2020
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3K29
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![BU of 3k29 by Molmil](/molmil-images/mine/3k29) | Structure of a putative YscO homolog CT670 from Chlamydia trachomatis | Descriptor: | Putative uncharacterized protein | Authors: | Lam, R, Singer, A, Skarina, T, Onopriyenko, O, Bochkarev, A, Brunzelle, J.S, Edwards, A.M, Anderson, W.F, Chirgadze, N.Y, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-09-29 | Release date: | 2009-10-13 | Last modified: | 2017-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and protein-protein interaction studies on Chlamydia trachomatis protein CT670 (YscO Homolog). J.Bacteriol., 192, 2010
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3K2L
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![BU of 3k2l by Molmil](/molmil-images/mine/3k2l) | Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) | Descriptor: | CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2, SODIUM ION, ... | Authors: | Filippakopoulos, P, Myrianthopoulos, V, Soundararajan, M, Krojer, T, Hapka, E, Fedorov, O, Berridge, G, Wang, J, Shrestha, L, Pike, A.C.W, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Mikros, E, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-30 | Release date: | 2009-10-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structures of Down Syndrome Kinases, DYRKs, Reveal Mechanisms of Kinase Activation and Substrate Recognition. Structure, 21, 2013
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4URK
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![BU of 4urk by Molmil](/molmil-images/mine/4urk) | PI3Kg in complex with AZD6482 | Descriptor: | 2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CATALYTIC SUBUNIT GAMMA ISOFORM | Authors: | Giordanetto, F, Barlaam, B, Berglund, S, Edman, K, Karlsson, O, Lindberg, J, Nylander, S, Inghardt, T. | Deposit date: | 2014-06-30 | Release date: | 2014-10-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Discovery of 9-(1-Phenoxyethyl)-2-Morpholino-4-Oxo-Pyrido[1, 2-A]Pyrimidine-7-Carboxamides as Oral Pi3Kbeta Inhibitors, Useful as Antiplatelet Agents. Bioorg.Med.Chem.Lett., 24, 2014
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4UWS
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![BU of 4uws by Molmil](/molmil-images/mine/4uws) | VIM-26-PEG. Leu224 in VIM-26 from Klebsiella pneumoniae has implications for drug binding. | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, METALLO-BETA-LACTAMASE VIM-26, ... | Authors: | Leiros, H.-K.S, Edvardsen, K.S.W, Bjerga, G.E.K, Samuelsen, O. | Deposit date: | 2014-08-14 | Release date: | 2015-02-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Structural and Biochemical Characterization of Vim-26 Show that Leu224 Has Implications for the Substrate Specificity of Vim Metallo-Beta-Lactamases. FEBS J., 282, 2015
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4W52
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![BU of 4w52 by Molmil](/molmil-images/mine/4w52) | T4 Lysozyme L99A with Benzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BENZENE, Endolysin | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.5001 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W54
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![BU of 4w54 by Molmil](/molmil-images/mine/4w54) | T4 Lysozyme L99A with Ethylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, PHENYLETHANE | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7901 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4W57
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![BU of 4w57 by Molmil](/molmil-images/mine/4w57) | T4 Lysozyme L99A with n-Butylbenzene Bound | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endolysin, N-BUTYLBENZENE | Authors: | Merski, M, Shoichet, B.K, Eidam, O, Fischer, M. | Deposit date: | 2014-08-16 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.6801 Å) | Cite: | Homologous ligands accommodated by discrete conformations of a buried cavity. Proc.Natl.Acad.Sci.USA, 112, 2015
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4UYN
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![BU of 4uyn by Molmil](/molmil-images/mine/4uyn) | SAR156497 an exquisitely selective inhibitor of Aurora kinases | Descriptor: | AURORA KINASE A, ethyl (9S)-9-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]-8-hydroxy-5,6,7,9-tetrahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate | Authors: | Carry, J.C, Clerc, F, Minoux, H, Schio, L, Mauger, J, Nair, A, Parmantier, E, Lemoigne, R, Delorme, C, Nicolas, J.P, Krick, A, Abecassis, P.Y, Crocq-Stuerga, V, Pouzieux, S, Delarbre, L, Maignan, S, Bertrand, T, Bjergarde, K, Ma, N, Lachaud, S, Guizani, H, Lebel, R, Doerflinger, G, Monget, S, Perron, S, Gasse, F, Angouillant-Boniface, O, Filoche-Romme, B, Murer, M, Gontier, S, Prevost, C, Monteiro, M.L, Combeau, C. | Deposit date: | 2014-09-02 | Release date: | 2014-11-19 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sar156497, an Exquisitely Selective Inhibitor of Aurora Kinases. J.Med.Chem., 58, 2015
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4WDQ
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![BU of 4wdq by Molmil](/molmil-images/mine/4wdq) | Crystal structure of haloalkane dehalogenase LinB32 mutant (L177W) from Sphingobium japonicum UT26 | Descriptor: | CHLORIDE ION, Haloalkane dehalogenase, MAGNESIUM ION | Authors: | Degtjarik, O, Rezacova, P, Chaloupkova, R, Damborsky, J, Kuta-Smatanova, I. | Deposit date: | 2014-09-09 | Release date: | 2015-12-23 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of haloalkane dehalogenase LinB mutant (L177W) from Sphingobium japonicum UT26 Acs Catalysis, 2016
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