2N04
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2N05
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4KLB
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![BU of 4klb by Molmil](/molmil-images/mine/4klb) | Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176 | Descriptor: | 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide, Cruzipain | Authors: | Fernandes, W.B, Montanari, C.A, Mckerrow, J.H. | Deposit date: | 2013-05-07 | Release date: | 2013-09-18 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay. Plos Negl Trop Dis, 7, 2013
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8HR1
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![BU of 8hr1 by Molmil](/molmil-images/mine/8hr1) | Cryo-EM structure of SSX1 bound to the unmodified nucleosome at a resolution of 3.02 angstrom | Descriptor: | DNA (147-MER), Histone H2A type 1-B/E, Histone H2B type 1-K, ... | Authors: | Zebin, T, Ai, H.S, Ziyu, X, Man, P, Liu, L. | Deposit date: | 2022-12-14 | Release date: | 2023-09-13 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.02 Å) | Cite: | Synovial sarcoma X breakpoint 1 protein uses a cryptic groove to selectively recognize H2AK119Ub nucleosomes. Nat.Struct.Mol.Biol., 31, 2024
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4KL7
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![BU of 4kl7 by Molmil](/molmil-images/mine/4kl7) | Crystal structure of the catalytic domain of RpfB from Mycobacterium tuberculosis | Descriptor: | Resuscitation-promoting factor RpfB, SULFATE ION | Authors: | Squeglia, F, Romano, M, Ruggiero, A, Berisio, R. | Deposit date: | 2013-05-07 | Release date: | 2013-06-26 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Carbohydrate Recognition by RpfB from Mycobacterium tuberculosis Unveiled by Crystallographic and Molecular Dynamics Analyses. Biophys.J., 104, 2013
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3BCP
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![BU of 3bcp by Molmil](/molmil-images/mine/3bcp) | Crystal Structure of The Swapped non covalent form of P19A/L28Q/N67D BS-RNase | Descriptor: | Seminal ribonuclease | Authors: | Merlino, A, Ercole, C, Picone, D, Pizzo, E, Mazzarella, L, Sica, F. | Deposit date: | 2007-11-13 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | The buried diversity of bovine seminal ribonuclease: shape and cytotoxicity of the swapped non-covalent form of the enzyme J.Mol.Biol., 376, 2008
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3BCO
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![BU of 3bco by Molmil](/molmil-images/mine/3bco) | Crystal Structure of The Swapped FOrm of P19A/L28Q/N67D BS-RNase | Descriptor: | Seminal ribonuclease | Authors: | Merlino, A, Ercole, C, Picone, D, Pizzo, E, Mazzarella, L, Sica, F. | Deposit date: | 2007-11-13 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The buried diversity of bovine seminal ribonuclease: shape and cytotoxicity of the swapped non-covalent form of the enzyme J.Mol.Biol., 376, 2008
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3BCM
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![BU of 3bcm by Molmil](/molmil-images/mine/3bcm) | Crystal Structure of The Unswapped Form of P19A/L28Q/N67D BS-RNase | Descriptor: | PHOSPHATE ION, Seminal ribonuclease | Authors: | Merlino, A, Ercole, C, Picone, D, Pizzo, E, Mazzarella, L, Sica, F. | Deposit date: | 2007-11-13 | Release date: | 2008-02-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | The buried diversity of bovine seminal ribonuclease: shape and cytotoxicity of the swapped non-covalent form of the enzyme J.Mol.Biol., 376, 2008
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1N3Z
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![BU of 1n3z by Molmil](/molmil-images/mine/1n3z) | Crystal structure of the [S-carboxyamidomethyl-Cys31, S-carboxyamidomethyl-Cys32] monomeric derivative of the bovine seminal ribonuclease in the liganded state | Descriptor: | 3'-URIDINEMONOPHOSPHATE, ADENOSINE, Ribonuclease, ... | Authors: | Sica, F, Di Fiore, A, Zagari, A, Mazzarella, L. | Deposit date: | 2002-10-30 | Release date: | 2003-08-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | The unswapped chain of bovine seminal ribonuclease: Crystal structure of the free and liganded monomeric derivative Proteins, 52, 2003
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8R6A
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8R7O
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![BU of 8r7o by Molmil](/molmil-images/mine/8r7o) | HUWE1 WWE domain in complex with 2'F-ATP | Descriptor: | CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1, SODIUM ION, ... | Authors: | Muenzker, L, Boettcher, J. | Deposit date: | 2023-11-27 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases. Commun Biol, 7, 2024
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8RD1
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![BU of 8rd1 by Molmil](/molmil-images/mine/8rd1) | HUWE1 WWE domain in complex with compound 4 | Descriptor: | 2-(2-hydroxy-2-oxoethyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1 | Authors: | Muenzker, L, Zak, K.M, Boettcher, J. | Deposit date: | 2023-12-07 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.896 Å) | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases. Commun Biol, 7, 2024
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8RD7
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![BU of 8rd7 by Molmil](/molmil-images/mine/8rd7) | HUWE1 WWE domain in complex with ADP-ribose | Descriptor: | ACETATE ION, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1, ... | Authors: | Muenzker, L, Zak, K.M, Boettcher, J. | Deposit date: | 2023-12-07 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases. Commun Biol, 7, 2024
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8R5N
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![BU of 8r5n by Molmil](/molmil-images/mine/8r5n) | DTX1 WWE domain in complex with ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, E3 ubiquitin-protein ligase DTX1 | Authors: | Muenzker, L, Zak, K.M, Boettcher, J. | Deposit date: | 2023-11-17 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.812 Å) | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases. Commun Biol, 7, 2024
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8R6B
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8RD0
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![BU of 8rd0 by Molmil](/molmil-images/mine/8rd0) | HUWE1 WWE domain in complex with compound 3 | Descriptor: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid, CHLORIDE ION, E3 ubiquitin-protein ligase HUWE1 | Authors: | Muenzker, L, Boettcher, J. | Deposit date: | 2023-12-07 | Release date: | 2024-07-31 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (1.765 Å) | Cite: | A ligand discovery toolbox for the WWE domain family of human E3 ligases. Commun Biol, 7, 2024
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3MYG
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![BU of 3myg by Molmil](/molmil-images/mine/3myg) | Aurora A Kinase complexed with SCH 1473759 | Descriptor: | 2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol, Serine/threonine-protein kinase 6, TETRAETHYLENE GLYCOL | Authors: | Hruza, A, Prosis, W, Ramanathan, L. | Deposit date: | 2010-05-10 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of a Potent, Injectable Inhibitor of Aurora Kinases Based on the Imidazo-[1,2-a]-Pyrazine Core. ACS Med Chem Lett, 1, 2010
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3P7L
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3P7O
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8AJ7
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![BU of 8aj7 by Molmil](/molmil-images/mine/8aj7) | Kunitz domain of Amblyomin-X | Descriptor: | 1,2-ETHANEDIOL, Kunitz domain of Amblyomin-X | Authors: | Ciccone, L, Servent, D, Stura, E.A. | Deposit date: | 2022-07-27 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and functional properties of the Kunitz-type and C-terminal domains of Amblyomin-X supporting its antitumor activity. Front Mol Biosci, 10, 2023
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1N1X
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![BU of 1n1x by Molmil](/molmil-images/mine/1n1x) | Crystal Structure Analysis of the monomeric [S-carboxyamidomethyl-Cys31, S-carboxyamidomethyl-Cys32] Bovine seminal ribonuclease | Descriptor: | Ribonuclease, seminal | Authors: | Sica, F, Di Fiore, A, Zagari, A, Mazzarella, L. | Deposit date: | 2002-10-21 | Release date: | 2003-08-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | The unswapped chain of bovine seminal ribonuclease: Crystal structure of the free and liganded monomeric derivative Proteins, 52, 2003
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5C5Q
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![BU of 5c5q by Molmil](/molmil-images/mine/5c5q) | CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | Descriptor: | (3R)-10-methyl-3-(propan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one, SULFATE ION, Tankyrase-2, ... | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2015-06-21 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5C5P
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![BU of 5c5p by Molmil](/molmil-images/mine/5c5p) | CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | Descriptor: | (3R)-3-(1-hydroxy-2-methylpropan-2-yl)-1,3,4,5-tetrahydro-6H-pyrano[4,3-c]isoquinolin-6-one, SULFATE ION, Tankyrase-2, ... | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2015-06-21 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors. Acs Med.Chem.Lett., 6, 2015
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5C5R
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![BU of 5c5r by Molmil](/molmil-images/mine/5c5r) | CRYSTAL STRUCTURE OF HUMAN TANKYRASE-2 IN COMPLEX WITH A PYRANOPYRIDONE INHIBITOR | Descriptor: | (7R)-2-hydroxy-7-(propan-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile, SULFATE ION, Tankyrase-2, ... | Authors: | Lukacs, C.M, Janson, C.A. | Deposit date: | 2015-06-21 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Fragment-Based Drug Design of Novel Pyranopyridones as Cell Active and Orally Bioavailable Tankyrase Inhibitors. Acs Med.Chem.Lett., 6, 2015
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8QPH
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![BU of 8qph by Molmil](/molmil-images/mine/8qph) | Crystal structure of Lymantria dispar CPV14 polyhedra 14 crystals | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Polyhedrin | Authors: | Trincao, J, Warren, A, Crawshaw, A, Sutton, G, Stuart, D, Evans, G. | Deposit date: | 2023-10-02 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | VMXm - sub-micron microfocus beamline for macromolecular crystallography at Diamond Light Source To Be Published
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