6TAY
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![BU of 6tay by Molmil](/molmil-images/mine/6tay) | Mouse RNF213 mutant R4753K modeling the Moyamoya-disease-related Human variant R4810K | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RNF213,E3 ubiquitin-protein ligase RNF213,E3 ubiquitin-protein ligase RNF213, ... | Authors: | Ahel, J, Meinhart, A, Haselbach, D, Clausen, T. | Deposit date: | 2019-10-31 | Release date: | 2020-07-01 | Last modified: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Moyamoya disease factor RNF213 is a giant E3 ligase with a dynein-like core and a distinct ubiquitin-transfer mechanism. Elife, 9, 2020
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3FC2
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![BU of 3fc2 by Molmil](/molmil-images/mine/3fc2) | PLK1 in complex with BI6727 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Bader, G. | Deposit date: | 2008-11-21 | Release date: | 2009-05-12 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | BI 6727, A Polo-like Kinase Inhibitor with Improved Pharmacokinetic Profile and Broad Antitumor Activity. Clin.Cancer Res., 15, 2009
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6TBW
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![BU of 6tbw by Molmil](/molmil-images/mine/6tbw) | Crystal structure of AmpC from E.coli with Avibactam | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ... | Authors: | Lang, P.A, Leissing, T.M, Schofield, C.J, Brem, J. | Deposit date: | 2019-11-04 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structural Investigations of the Inhibition of Escherichia coli AmpC beta-Lactamase by Diazabicyclooctanes. Antimicrob.Agents Chemother., 65, 2021
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2X4Z
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![BU of 2x4z by Molmil](/molmil-images/mine/2x4z) | Crystal Structure of the Human p21-Activated Kinase 4 in Complex with PF-03758309 | Descriptor: | GLYCEROL, PF-3758309, SERINE/THREONINE-PROTEIN KINASE PAK 4 | Authors: | Knighton, D.R, Deng, Y, Murray, B, Guo, C, Piraino, J, Westwick, J, Zhang, C, Lamerdin, J, Dagostino, E, Loi, C.-M, Zager, M, Kraynov, E, Christensen, J, Martinez, R, Kephart, S, Marakovits, J, Karlicek, S, Bergqvist, S, Smeal, T. | Deposit date: | 2010-02-03 | Release date: | 2010-05-19 | Last modified: | 2019-01-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Small-Molecule P21-Activated Kinase Inhibitor Pf- 3758309 is a Potent Inhibitor of Oncogenic Signaling and Tumor Growth. Proc.Natl.Acad.Sci.USA, 107, 2010
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6K13
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![BU of 6k13 by Molmil](/molmil-images/mine/6k13) | Crystal Structure Basis for BmLDH Complex | Descriptor: | L-lactate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID | Authors: | Long, Y, Shen, Z. | Deposit date: | 2019-05-09 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Crystal structures ofBabesia microtilactate dehydrogenase BmLDH reveal a critical role for Arg99 in catalysis. Faseb J., 33, 2019
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6K0Y
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![BU of 6k0y by Molmil](/molmil-images/mine/6k0y) | Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor | Descriptor: | 1,2-ETHANEDIOL, Antibody Heavy Chain, Antibody Light Chain, ... | Authors: | Liu, J.X, Wang, G.Q. | Deposit date: | 2019-05-08 | Release date: | 2019-12-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Study of the interactions of a novel monoclonal antibody, mAb059c, with the hPD-1 receptor. Sci Rep, 9, 2019
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3TP3
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![BU of 3tp3 by Molmil](/molmil-images/mine/3tp3) | Structure of HTH-type transcriptional regulator EthR, G106W mutant | Descriptor: | HTH-type transcriptional regulator EthR | Authors: | Carette, X. | Deposit date: | 2011-09-07 | Release date: | 2011-12-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands. Nucleic Acids Res., 40, 2011
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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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3U9Q
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3TSD
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![BU of 3tsd by Molmil](/molmil-images/mine/3tsd) | Crystal Structure of Inosine-5'-monophosphate Dehydrogenase from Bacillus anthracis str. Ames complexed with XMP | Descriptor: | D(-)-TARTARIC ACID, Inosine-5'-monophosphate dehydrogenase, SULFATE ION, ... | Authors: | Kim, Y, Makowska-Grzyska, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-09-13 | Release date: | 2011-10-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.653 Å) | Cite: | Bacillus anthracis inosine 5'-monophosphate dehydrogenase in action: the first bacterial series of structures of phosphate ion-, substrate-, and product-bound complexes. Biochemistry, 51, 2012
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2WO0
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![BU of 2wo0 by Molmil](/molmil-images/mine/2wo0) | EDTA treated E. coli copper amine oxidase | Descriptor: | COPPER (II) ION, PRIMARY AMINE OXIDASE, SODIUM ION | Authors: | Smith, M.A, Pirrat, P, Pearson, A.R, Knowles, P.F, Phillips, S.E.V, McPherson, M.J. | Deposit date: | 2009-07-21 | Release date: | 2010-05-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Exploring the Roles of the Metal Ions in Escherichia Coli Copper Amine Oxidase. Biochemistry, 49, 2010
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6T9C
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6K9H
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![BU of 6k9h by Molmil](/molmil-images/mine/6k9h) | Human LXR-beta in complex with an agonist | Descriptor: | Oxysterols receptor LXR-beta, ~{tert}-butyl (2'~{S},3~{S})-2-oxidanylidene-2'-phenyl-spiro[1~{H}-indole-3,3'-pyrrolidine]-1'-carboxylate | Authors: | Zhang, Z, Zhou, H. | Deposit date: | 2019-06-15 | Release date: | 2020-04-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of new LXR beta agonists as glioblastoma inhibitors. Eur.J.Med.Chem., 194, 2020
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2WKL
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![BU of 2wkl by Molmil](/molmil-images/mine/2wkl) | Velaglucerase alfa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUCOSYLCERAMIDASE, ... | Authors: | Brumshtein, B, Salinas, P, Peterson, B, Chan, V, Silman, I, Sussman, J.L, Savickas, P.J, Robinson, G.S, Futerman, A.H. | Deposit date: | 2009-06-15 | Release date: | 2009-09-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Characterization of Gene-Activated Human Acid-Beta-Glucosidase: Crystal Structure, Glycan Composition and Internalization Into Macrophages. Glycobiology, 20, 2010
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6JSG
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![BU of 6jsg by Molmil](/molmil-images/mine/6jsg) | Crystal Structure of BACE1 in complex with N-{3-[(4S)-2-amino-4-methyl-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-chloropyridine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, 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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6JSZ
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![BU of 6jsz by Molmil](/molmil-images/mine/6jsz) | BACE2 xaperone complex with N-{3-[(5R)-3-amino-5-methyl-9,9-dioxo-2,9lambda6-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | Descriptor: | Beta-secretase 2, CHLORIDE ION, N-[3-[(5R)-3-azanyl-5-methyl-9,9-bis(oxidanylidene)-2,9$l^{6}-dithia-4-azaspiro[5.5]undec-3-en-5-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide, ... | 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 (1.53 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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6JT4
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![BU of 6jt4 by Molmil](/molmil-images/mine/6jt4) | Crystal Structure of BACE1 in complex with N-{3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-thiazin-4-yl]-4-fluorophenyl}-5-(fluoromethoxy)pyrazine-2-carboxamide | Descriptor: | Beta-secretase 1, GLYCEROL, IODIDE ION, ... | Authors: | Anan, K, Iso, Y, Oguma, T, Nakahara, K, Suzuki, S, Yamamoto, T, Matsuoka, E, Ito, H, Sakaguchi, G, Ando, S, Morimoto, K, Kanegawa, N, Kido, Y, Kawachi, T, Fukushima, T, Teisman, A, Urmaliya, V, Dhuyvetter, D, Borghys, H, Austin, N, Bergh, A.V.D, Verboven, P, Bischoff, F, Gijsen, H.J.M, Yamano, Y, Kusakabe, K.I. | Deposit date: | 2019-04-08 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Trifluoromethyl Dihydrothiazine-Based beta-Secretase (BACE1) Inhibitors with Robust Central beta-Amyloid Reduction and Minimal Covalent Binding Burden. Chemmedchem, 14, 2019
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3TSB
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![BU of 3tsb by Molmil](/molmil-images/mine/3tsb) | Crystal Structure of Inosine-5'-monophosphate Dehydrogenase from Bacillus anthracis str. Ames | Descriptor: | Inosine-5'-monophosphate dehydrogenase, PHOSPHATE ION | Authors: | Kim, Y, Makowska-Grzyska, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-09-12 | Release date: | 2011-10-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.595 Å) | Cite: | Bacillus anthracis inosine 5'-monophosphate dehydrogenase in action: the first bacterial series of structures of phosphate ion-, substrate-, and product-bound complexes. Biochemistry, 51, 2012
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2X95
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![BU of 2x95 by Molmil](/molmil-images/mine/2x95) | Crystal structure of AnCE-lisinopril-tryptophan analogue, lisW-S complex | Descriptor: | (S)-1-N2-(1-CARBOXY-3-PHENYLPROPYL)-L-LYSYL-L-TRYPTOPHAN, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | Deposit date: | 2010-03-14 | Release date: | 2010-06-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
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6T9R
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![BU of 6t9r by Molmil](/molmil-images/mine/6t9r) | Aplysia californica AChBP in complex with a cytisine derivative | Descriptor: | (1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine binding protein, ... | Authors: | Davis, S, Hunter, W.N. | Deposit date: | 2019-10-28 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The thermodynamic profile and molecular interactions of a C(9)-cytisine derivative-binding acetylcholine-binding protein from Aplysia californica. Acta Crystallogr.,Sect.F, 76, 2020
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3FQO
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![BU of 3fqo by Molmil](/molmil-images/mine/3fqo) | Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-[3-(2,5-dimethoxyphenyl)prop-1-ynyl]-6-ethylpyrimidine (UCP120B) | Descriptor: | 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase | Authors: | Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N. | Deposit date: | 2009-01-07 | Release date: | 2009-03-24 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.09 Å) | Cite: | Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance. J.Mol.Biol., 387, 2009
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3FRG
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![BU of 3frg by Molmil](/molmil-images/mine/3frg) | |
3FQH
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![BU of 3fqh by Molmil](/molmil-images/mine/3fqh) | |
6TL2
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![BU of 6tl2 by Molmil](/molmil-images/mine/6tl2) | |
3FQS
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![BU of 3fqs by Molmil](/molmil-images/mine/3fqs) | Crystal structure of spleen tyrosine kinase complexed with R406 | Descriptor: | 6-({5-fluoro-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}amino)-2,2-dimethyl-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one, Tyrosine-protein kinase SYK | Authors: | Kuglstatter, A, Villasenor, A.G. | Deposit date: | 2009-01-07 | Release date: | 2009-03-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural insights for design of potent spleen tyrosine kinase inhibitors from crystallographic analysis of three inhibitor complexes. Chem.Biol.Drug Des., 73, 2009
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