3P88
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![BU of 3p88 by Molmil](/molmil-images/mine/3p88) | FXR bound to isoquinolinecarboxylic acid | Descriptor: | 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid, Farnesoid X receptor, Nuclear receptor coactivator 1, ... | Authors: | Madauss, K.P, Williams, S.P, Deaton, D.N. | Deposit date: | 2010-10-13 | Release date: | 2011-08-31 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene. Bioorg.Med.Chem.Lett., 21, 2011
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2BS9
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![BU of 2bs9 by Molmil](/molmil-images/mine/2bs9) | Native crystal structure of a GH39 beta-xylosidase XynB1 from Geobacillus stearothermophilus | Descriptor: | BETA-XYLOSIDASE, CALCIUM ION | Authors: | Czjzek, M, Bravman, T, Henrissat, B, Shoham, Y. | Deposit date: | 2005-05-19 | Release date: | 2005-10-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Enzyme-Substrate Complex Structures of a Gh39 Beta-Xylosidase from Geobacillus Stearothermophilus. J.Mol.Biol., 353, 2005
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2BFG
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![BU of 2bfg by Molmil](/molmil-images/mine/2bfg) | crystal structure of beta-xylosidase (fam GH39) in complex with dinitrophenyl-beta-xyloside and covalently bound xyloside | Descriptor: | 2,5-DINITROPHENOL, BETA-XYLOSIDASE, SODIUM ION, ... | Authors: | Czjzek, M, Bravman, T, Henrissat, B, Shoham, Y. | Deposit date: | 2004-12-07 | Release date: | 2005-10-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Enzyme-Substrate Complex Structures of a Gh39 Beta-Xylosidase from Geobacillus Stearothermophilus. J.Mol.Biol., 353, 2005
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2BDL
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![BU of 2bdl by Molmil](/molmil-images/mine/2bdl) | Cathepsin K complexed with a pyrrolidine ketoamide-based inhibitor | Descriptor: | (3S)-1-{[(3,5-DIMETHYLISOXAZOL-4-YL)AMINO]CARBONYL}-4,4-DIMETHYLPYRROLIDIN-3-YL{(1S)-1-[1-HYDROXY-2-OXO-2-{[(1R)-1-PHENYLETHYL]AMINO}ETHYL]PENTYL}CARBAMATE, Cathepsin K | Authors: | Shewchuk, L.M. | Deposit date: | 2005-10-20 | Release date: | 2006-03-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors. Bioorg.Med.Chem.Lett., 16, 2006
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3PDF
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![BU of 3pdf by Molmil](/molmil-images/mine/3pdf) | Discovery of Novel Cyanamide-Based Inhibitors of Cathepsin C | Descriptor: | 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhao, B, Laine, D. | Deposit date: | 2010-10-22 | Release date: | 2011-10-26 | Last modified: | 2023-07-26 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Discovery of novel cyanamide-based inhibitors of cathepsin C. Acs Med.Chem.Lett., 2, 2011
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2CFX
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![BU of 2cfx by Molmil](/molmil-images/mine/2cfx) | Structure of B.subtilis LrpC | Descriptor: | HTH-TYPE TRANSCRIPTIONAL REGULATOR LRPC | Authors: | Thaw, P, Rafferty, J.B. | Deposit date: | 2006-02-24 | Release date: | 2006-03-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Insight Into Gene Transcriptional Regulation and Effector Binding by the Lrp/Asnc Family. Nucleic Acids Res., 34, 2006
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2EWP
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![BU of 2ewp by Molmil](/molmil-images/mine/2ewp) | |
3PQU
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2Z5G
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![BU of 2z5g by Molmil](/molmil-images/mine/2z5g) | Crystal structure of T1 lipase F16L mutant | Descriptor: | CALCIUM ION, CHLORIDE ION, Thermostable lipase, ... | Authors: | Matsumura, H, Yamamoto, T, Inoue, T, Kai, Y. | Deposit date: | 2007-07-08 | Release date: | 2007-10-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Novel cation-pi interaction revealed by crystal structure of thermoalkalophilic lipase Proteins, 70, 2007
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2YDW
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![BU of 2ydw by Molmil](/molmil-images/mine/2ydw) | Crystal Structure of the First Bromodomain of Human Brd2 with the inhibitor GW841819X | Descriptor: | BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE, BROMODOMAIN-CONTAINING PROTEIN 2, SULFATE ION | Authors: | Chung, C, Delves, C, Woodward, R, Mirguet, O, Nicodeme, E. | Deposit date: | 2011-03-24 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Characterization of Small Molecule Inhibitors of the Bet Family Bromodomains. J.Med.Chem., 54, 2011
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2YEL
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![BU of 2yel by Molmil](/molmil-images/mine/2yel) | Crystal Structure of the First Bromodomain of Human Brd4 with the inhibitor GW841819X | Descriptor: | 1,2-ETHANEDIOL, BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE, HUMAN BRD4 | Authors: | Chung, C.W. | Deposit date: | 2011-03-25 | Release date: | 2011-06-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery and Characterization of Small Molecule Inhibitors of the Bet Family Bromodomains. J.Med.Chem., 54, 2011
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2YEM
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3C7N
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![BU of 3c7n by Molmil](/molmil-images/mine/3c7n) | Structure of the Hsp110:Hsc70 Nucleotide Exchange Complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, CHLORIDE ION, ... | Authors: | Schuermann, J.P, Jiang, J, Hart, P.J, Sousa, R. | Deposit date: | 2008-02-07 | Release date: | 2008-05-27 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (3.115 Å) | Cite: | Structure of the Hsp110:Hsc70 nucleotide exchange machine Mol.Cell, 31, 2008
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3CQX
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![BU of 3cqx by Molmil](/molmil-images/mine/3cqx) | Chaperone Complex | Descriptor: | BAG family molecular chaperone regulator 2, Heat shock cognate 71 kDa protein, SODIUM ION, ... | Authors: | Xu, Z, Nix, J.C, Misra, S. | Deposit date: | 2008-04-03 | Release date: | 2008-11-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis of nucleotide exchange and client binding by the Hsp70 cochaperone Bag2 Nat.Struct.Mol.Biol., 15, 2008
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3D0T
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![BU of 3d0t by Molmil](/molmil-images/mine/3d0t) | |
5LPR
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![BU of 5lpr by Molmil](/molmil-images/mine/5lpr) | |
2YVB
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![BU of 2yvb by Molmil](/molmil-images/mine/2yvb) | |
6I9J
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![BU of 6i9j by Molmil](/molmil-images/mine/6i9j) | Human transforming growth factor beta2 in a tetragonal crystal form | Descriptor: | Transforming growth factor beta-2 proprotein | Authors: | Gomis-Ruth, F.X, Marino-Puertas, L, del Amo-Maestro, L, Goulas, T. | Deposit date: | 2018-11-23 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Recombinant production, purification, crystallization, and structure analysis of human transforming growth factor beta 2 in a new conformation. Sci Rep, 9, 2019
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6WIY
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![BU of 6wiy by Molmil](/molmil-images/mine/6wiy) | Crystal structure of Fab 54-1G05 | Descriptor: | Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, GLYCEROL | Authors: | Wu, N.C, Wilson, I.A. | Deposit date: | 2020-04-11 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor. Cell Host Microbe, 28, 2020
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6WIZ
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![BU of 6wiz by Molmil](/molmil-images/mine/6wiz) | Crystal structure of Fab 54-1G05 bound to H1 influenza hemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 54-1G05 heavy chain, Fab 54-1G05 light chain, ... | Authors: | Wu, N.C, Wilson, I.A. | Deposit date: | 2020-04-11 | Release date: | 2020-07-01 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor. Cell Host Microbe, 28, 2020
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6X3N
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![BU of 6x3n by Molmil](/molmil-images/mine/6x3n) | Co-structure of BTK kinase domain with L-005085737 inhibitor | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | Authors: | Fischmann, T.O. | Deposit date: | 2020-05-21 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes. Bioorg.Med.Chem.Lett., 30, 2020
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6WW8
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![BU of 6ww8 by Molmil](/molmil-images/mine/6ww8) | BRD4 Bromodomain 1 in complex with triple CDK4/6-PI3K-BET inhibitor | Descriptor: | 7-cyclopentyl-N,N-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Bromodomain-containing protein 4 | Authors: | Vann, K.R, Kutateladze, T.G. | Deposit date: | 2020-05-08 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | A triple action CDK4/6-PI3K-BET inhibitor with augmented cancer cell cytotoxicity. Cell Discov, 6, 2020
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6X3O
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![BU of 6x3o by Molmil](/molmil-images/mine/6x3o) | Co-structure of BTK kinase domain with L-005191930 inhibitor | Descriptor: | 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK | Authors: | Fischmann, T.O. | Deposit date: | 2020-05-21 | Release date: | 2020-07-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Potent, non-covalent reversible BTK inhibitors with 8-amino-imidazo[1,5-a]pyrazine core featuring 3-position bicyclic ring substitutes. Bioorg.Med.Chem.Lett., 30, 2020
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2N1T
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![BU of 2n1t by Molmil](/molmil-images/mine/2n1t) | Dynamic binding mode of a synaptotagmin-1-SNARE complex in solution | Descriptor: | Synaptosomal-associated protein 25, Synaptotagmin-1, Syntaxin-1A, ... | Authors: | Brewer, K, Bacaj, T, Cavalli, A, Camilloni, C, Swarbrick, J, Liu, J, Zhou, A, Zhou, P, Barlow, N, Xu, J, Seven, A, Prinslow, E, Voleti, R, Haussinger, D, Bonvin, A, Tomchick, D, Vendruscolo, M, Graham, B, Sudhof, T, Rizo, J. | Deposit date: | 2015-04-21 | Release date: | 2015-06-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Dynamic binding mode of a Synaptotagmin-1-SNARE complex in solution. Nat.Struct.Mol.Biol., 22, 2015
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2N55
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![BU of 2n55 by Molmil](/molmil-images/mine/2n55) | |