5HH7
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6HW1
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![BU of 6hw1 by Molmil](/molmil-images/mine/6hw1) | ROOM TEMPERATURE STRUCTURE OF LIPASE FROM T. LANUGINOSA AT 2.5 A RESOLUTION IN CHIPX MICROFLUIDIC DEVICE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase, MAGNESIUM ION, ... | Authors: | Gavira, J.A, Fernadez-Penas, R, Martinez-Rodriguez, S, Verdugo-Escamilla, C. | Deposit date: | 2018-10-11 | Release date: | 2018-10-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography. Iucrj, 6, 2019
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5HE7
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![BU of 5he7 by Molmil](/molmil-images/mine/5he7) | BACE-1 in complex with (4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one | Descriptor: | (2E,4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1 | Authors: | Orth, P. | Deposit date: | 2016-01-05 | Release date: | 2016-03-16 | Last modified: | 2016-04-27 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates. J.Med.Chem., 59, 2016
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4ZOZ
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6TUD
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![BU of 6tud by Molmil](/molmil-images/mine/6tud) | |
6TPH
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5NMM
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![BU of 5nmm by Molmil](/molmil-images/mine/5nmm) | The structure of the polo-box domain (PBD) of Plk1 in complex with Alpha-Bromo-3-Iodotoluene. | Descriptor: | Alpha-Bromo-3-Iodotoluene, Serine/threonine-protein kinase PLK1 | Authors: | Kunciw, D.L, Rossmann, M, Stokes, J.E, De Fusco, C, Spring, D.R, Hyvonen, M. | Deposit date: | 2017-04-06 | Release date: | 2018-02-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation. Sci Rep, 9, 2019
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4ZQP
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![BU of 4zqp by Molmil](/molmil-images/mine/4zqp) | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor MAD1 | Descriptor: | 5'-O-({1-[(2E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1H-1,2,3-triazol-4-yl}methyl)adenosine, GLYCEROL, INOSINIC ACID, ... | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-05-10 | Release date: | 2015-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds. Plos One, 10, 2015
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6J2W
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![BU of 6j2w by Molmil](/molmil-images/mine/6j2w) | The structure of OBA3-OTA complex | Descriptor: | DNA (5'-D(*CP*GP*GP*GP*GP*CP*GP*AP*AP*GP*CP*GP*GP*GP*TP*CP*CP*CP*G)-3'), N-[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]-D-phenylalanine | Authors: | Xu, G.H, Li, C.G. | Deposit date: | 2019-01-03 | Release date: | 2019-02-27 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure-guided post-SELEX optimization of an ochratoxin A aptamer. Nucleic Acids Res., 47, 2019
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6J9P
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4ZKJ
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![BU of 4zkj by Molmil](/molmil-images/mine/4zkj) | Crystal structure of CRISPR-associated protein | Descriptor: | CRISPR-associated protein Cas1, GLYCEROL | Authors: | Ka, D, Bae, E. | Deposit date: | 2015-04-30 | Release date: | 2016-01-13 | Last modified: | 2016-01-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Crystal Structure of Streptococcus pyogenes Cas1 and Its Interaction with Csn2 in the Type II CRISPR-Cas System Structure, 24, 2016
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5N93
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![BU of 5n93 by Molmil](/molmil-images/mine/5n93) | TTK kinase domain in complex with TC-Mps1-12 | Descriptor: | 4-[[4-azanyl-6-(~{tert}-butylamino)-5-cyano-pyridin-2-yl]amino]benzamide, Dual specificity protein kinase TTK | Authors: | Uitdehaag, J, Willemsen-Seegers, N, de Man, J, Buijsman, R.C, Zaman, G.J.R. | Deposit date: | 2017-02-24 | Release date: | 2017-05-31 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol., 429, 2017
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6JSX
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5EO0
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![BU of 5eo0 by Molmil](/molmil-images/mine/5eo0) | Crystal Structure of HLA-B0702-RFL9 | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ... | Authors: | Josephs, T.M, Gras, S, Rossjohn, J. | Deposit date: | 2015-11-10 | Release date: | 2016-02-24 | Last modified: | 2016-04-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | HIV-1-Specific CD8 T Cells Exhibit Limited Cross-Reactivity during Acute Infection. J Immunol., 196, 2016
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4ZN0
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4ZK3
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7B3Z
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![BU of 7b3z by Molmil](/molmil-images/mine/7b3z) | Crystal structure of c-MET bound by compound 5 | Descriptor: | 3-[3-(phenylmethyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-4,5-dihydro-1~{H}-pyrrolo[3,4-b]pyrrol-6-one, DIMETHYL SULFOXIDE, Hepatocyte growth factor receptor | Authors: | Collie, G.W. | Deposit date: | 2020-12-01 | Release date: | 2020-12-09 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Targeting the Folded P-Loop Conformation of c-MET. Acs Med.Chem.Lett., 12, 2021
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4ZOM
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![BU of 4zom by Molmil](/molmil-images/mine/4zom) | RORgamma in complex with inverse agonist 4j. | Descriptor: | N-{4-[3-(acetylamino)-1-(propan-2-yl)-1H-pyrazol-5-yl]-2-[(1R,5S)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chloro-6-fluoro-N-methylbenzamide, Nuclear receptor ROR-gamma | Authors: | Marcotte, D.J. | Deposit date: | 2015-05-06 | Release date: | 2015-06-17 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Discovery of novel pyrazole-containing benzamides as potent ROR gamma inverse agonists. Bioorg.Med.Chem.Lett., 25, 2015
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5EKB
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7BDW
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![BU of 7bdw by Molmil](/molmil-images/mine/7bdw) | Crystal structure of mycobacterial PptAb in complex with ACP and compound 8918 | Descriptor: | COENZYME A, MANGANESE (II) ION, N-(2,6-diethylphenyl)-N'-(N-ethylcarbamimidoyl)urea, ... | Authors: | Carivenc, C, Nguyen, M.C, Mourey, L, Pedelacq, J.D. | Deposit date: | 2020-12-22 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Phosphopantetheinyl transferase binding and inhibition by amidino-urea and hydroxypyrimidinethione compounds. Sci Rep, 11, 2021
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6K1M
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![BU of 6k1m by Molmil](/molmil-images/mine/6k1m) | Engineered form of a putative cystathionine gamma-lyase | Descriptor: | Cystathionine gamma-lyase, PYRIDOXAL-5'-PHOSPHATE, PYRUVIC ACID | Authors: | Chen, S, Wang, Y. | Deposit date: | 2019-05-10 | Release date: | 2020-05-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural characterization of cystathionine gamma-lyase smCSE enables aqueous metal quantum dot biosynthesis. Int.J.Biol.Macromol., 174, 2021
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5EOJ
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5EON
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![BU of 5eon by Molmil](/molmil-images/mine/5eon) | |
7BHE
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![BU of 7bhe by Molmil](/molmil-images/mine/7bhe) | DARPin_D5/Her3 domain 4 complex, monoclinic crystals | Descriptor: | ACETATE ION, DARPin_D5, GLYCEROL, ... | Authors: | Mittl, P.R.E, Radom, F, Pluckthun, A. | Deposit date: | 2021-01-11 | Release date: | 2021-11-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.297 Å) | Cite: | Crystal structures of HER3 extracellular domain 4 in complex with the designed ankyrin-repeat protein D5. Acta Crystallogr.,Sect.F, 77, 2021
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5EOS
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![BU of 5eos by Molmil](/molmil-images/mine/5eos) | |