5H05
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![BU of 5h05 by Molmil](/molmil-images/mine/5h05) | Crystal structure of AmyP E221Q in complex with MALTOTRIOSE | Descriptor: | AmyP, CALCIUM ION, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | He, C, Liu, Y. | Deposit date: | 2016-10-03 | Release date: | 2017-08-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Crystal structure of a raw-starch-degrading bacterial alpha-amylase belonging to subfamily 37 of the glycoside hydrolase family GH13 Sci Rep, 7, 2017
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1NIY
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![BU of 1niy by Molmil](/molmil-images/mine/1niy) | |
1NIX
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![BU of 1nix by Molmil](/molmil-images/mine/1nix) | |
8JAY
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![BU of 8jay by Molmil](/molmil-images/mine/8jay) | CrtSPARTA Octamer bound with guide-target | Descriptor: | DNA (25-MER), MAGNESIUM ION, Piwi domain-containing protein, ... | Authors: | Guo, L.J, Huang, P.P, Li, Z.X, Xiao, Y.B, Chen, M.R. | Deposit date: | 2023-05-07 | Release date: | 2024-03-20 | Last modified: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Auto-inhibition and activation of a short Argonaute-associated TIR-APAZ defense system. Nat.Chem.Biol., 20, 2024
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8HPO
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![BU of 8hpo by Molmil](/molmil-images/mine/8hpo) | Cryo-EM structure of a SIN3/HDAC complex from budding yeast | Descriptor: | Histone deacetylase RPD3, PHOSPHOTHREONINE, POTASSIUM ION, ... | Authors: | Guo, Z, Zhan, X, Wang, C. | Deposit date: | 2022-12-12 | Release date: | 2023-05-03 | Last modified: | 2023-07-05 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Structure of a SIN3-HDAC complex from budding yeast. Nat.Struct.Mol.Biol., 30, 2023
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4ZXO
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![BU of 4zxo by Molmil](/molmil-images/mine/4zxo) | The structure of a GH26 beta-mannanase from Bacteroides ovatus, BoMan26A. | Descriptor: | Glycosyl hydrolase family 26, PHOSPHATE ION, POTASSIUM ION | Authors: | Bagenholm, V, Aurelius, O, Logan, D.T, Bouraoui, H, Stalbrand, H. | Deposit date: | 2015-05-20 | Release date: | 2016-06-29 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Galactomannan Catabolism Conferred by a Polysaccharide Utilization Locus of Bacteroides ovatus: ENZYME SYNERGY AND CRYSTAL STRUCTURE OF A beta-MANNANASE. J. Biol. Chem., 292, 2017
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4ZUA
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![BU of 4zua by Molmil](/molmil-images/mine/4zua) | Crystal structure of the ExsA regulatory domain | Descriptor: | Exoenzyme S synthesis regulatory protein ExsA | Authors: | Schubot, F.D. | Deposit date: | 2015-05-15 | Release date: | 2016-02-03 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Analysis of the Regulatory Domain of ExsA, a Key Transcriptional Regulator of the Type Three Secretion System in Pseudomonas aeruginosa. Plos One, 10, 2015
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8K4F
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![BU of 8k4f by Molmil](/molmil-images/mine/8k4f) | DHODH in complex with compound A0 | Descriptor: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine, 6-[bis(oxidanyl)methyl]-5~{H}-pyrimidine-2,4-dione, ACETATE ION, ... | Authors: | Jian, L, Sun, Q. | Deposit date: | 2023-07-18 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Discovery and Optimization of Novel h DHODH Inhibitors for the Treatment of Inflammatory Bowel Disease. J.Med.Chem., 66, 2023
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4QQX
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![BU of 4qqx by Molmil](/molmil-images/mine/4qqx) | Crystal structure of T. fusca Cas3-ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CRISPR-associated helicase, Cas3 family, ... | Authors: | Ke, A, Huo, Y, Nam, K.H. | Deposit date: | 2014-06-30 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.34 Å) | Cite: | Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation. Nat.Struct.Mol.Biol., 21, 2014
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4QQW
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![BU of 4qqw by Molmil](/molmil-images/mine/4qqw) | Crystal structure of T. fusca Cas3 | Descriptor: | CRISPR-associated helicase, Cas3 family, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ... | Authors: | Ke, A, Huo, Y, Nam, K.H. | Deposit date: | 2014-06-30 | Release date: | 2014-08-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.664 Å) | Cite: | Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation. Nat.Struct.Mol.Biol., 21, 2014
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4QQZ
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![BU of 4qqz by Molmil](/molmil-images/mine/4qqz) | Crystal structure of T. fusca Cas3-AMPPNP | Descriptor: | CRISPR-associated helicase, Cas3 family, DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ... | Authors: | Ke, A, Huo, Y, Nam, K.H. | Deposit date: | 2014-06-30 | Release date: | 2014-08-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation. Nat.Struct.Mol.Biol., 21, 2014
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4QQY
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![BU of 4qqy by Molmil](/molmil-images/mine/4qqy) | Crystal structure of T. fusca Cas3-ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CRISPR-associated helicase, Cas3 family, ... | Authors: | Ke, A, Huo, Y, Nam, K.H. | Deposit date: | 2014-06-30 | Release date: | 2014-08-27 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.12 Å) | Cite: | Structures of CRISPR Cas3 offer mechanistic insights into Cascade-activated DNA unwinding and degradation. Nat.Struct.Mol.Biol., 21, 2014
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7KX7
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![BU of 7kx7 by Molmil](/molmil-images/mine/7kx7) | Cryo-EM structure of Ephydatia fluviatilis PiwiA-piRNA complex | Descriptor: | MAGNESIUM ION, Piwi-A, RNA (5'-R(P*UP*CP*UP*CP*AP*GP*(OMC))-3') | Authors: | Anzelon, T.A, Chowdhury, S, Lander, G.C, MacRae, I.J. | Deposit date: | 2020-12-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural basis for piRNA targeting. Nature, 597, 2021
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7KX9
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![BU of 7kx9 by Molmil](/molmil-images/mine/7kx9) | Cryo-EM structure of Ephydatia fluviatilis PiwiA-piRNA-target complex | Descriptor: | MAGNESIUM ION, Piwi-A, RNA (5'-R(P*UP*CP*UP*CP*UP*UP*GP*AP*GP*UP*UP*GP*GP*AP*CP*AP*AP*AP*UP*GP*GP*CP*AP*(OMG))-3'), ... | Authors: | Anzelon, T.A, Chowdhury, S, Lander, G.C, MacRae, I.J. | Deposit date: | 2020-12-03 | Release date: | 2021-07-14 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structural basis for piRNA targeting. Nature, 597, 2021
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4O0Y
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![BU of 4o0y by Molmil](/molmil-images/mine/4o0y) | Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | Descriptor: | 4-[1-(4-amino-1,3,5-triazin-2-yl)-2-(ethylamino)-1H-benzimidazol-6-yl]-2-methylbut-3-yn-2-ol, Serine/threonine-protein kinase PAK 4 | Authors: | Rouge, L, Tam, C, Wang, W. | Deposit date: | 2013-12-14 | Release date: | 2014-02-12 | Last modified: | 2014-02-26 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors. J.Med.Chem., 57, 2014
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8I0C
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![BU of 8i0c by Molmil](/molmil-images/mine/8i0c) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S0703 | Descriptor: | 1-[4-[3,5-bis(chloranyl)phenyl]-3-fluoranyl-phenyl]cyclopropane-1-carboxylic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, He, S, Liu, Y, Fang, P, Sun, H. | Deposit date: | 2023-01-10 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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5T99
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![BU of 5t99 by Molmil](/molmil-images/mine/5t99) | |
4O0T
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![BU of 4o0t by Molmil](/molmil-images/mine/4o0t) | |
5TA5
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![BU of 5ta5 by Molmil](/molmil-images/mine/5ta5) | Crystal structure of BuGH86wt in complex with neoagarooctaose | Descriptor: | 1,2-ETHANEDIOL, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, CALCIUM ION, ... | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2016-09-09 | Release date: | 2017-09-13 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont. Nat Commun, 9, 2018
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5T9X
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![BU of 5t9x by Molmil](/molmil-images/mine/5t9x) | Crystal structure of BuGH16Bwt | Descriptor: | Glycoside Hydrolase, IMIDAZOLE, SODIUM ION | Authors: | Pluvinage, B, Boraston, A.B. | Deposit date: | 2016-09-09 | Release date: | 2017-09-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Molecular basis of an agarose metabolic pathway acquired by a human intestinal symbiont. Nat Commun, 9, 2018
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5VKC
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![BU of 5vkc by Molmil](/molmil-images/mine/5vkc) | Crystal structure of MCL-1 in complex with a BIM competitive inhibitor | Descriptor: | 7-(3-{[4-(4-acetylpiperazin-1-yl)phenoxy]methyl}-1,5-dimethyl-1H-pyrazol-4-yl)-3-{3-[(naphthalen-1-yl)oxy]propyl}-1-[(pyridin-3-yl)methyl]-1H-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Judge, R.A, Souers, A.J. | Deposit date: | 2017-04-21 | Release date: | 2017-05-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity. J. Med. Chem., 58, 2015
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4O0X
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![BU of 4o0x by Molmil](/molmil-images/mine/4o0x) | Back pocket flexibility provides group-II PAK selectivity for type 1 kinase inhibitors | Descriptor: | 1-{[1-(4-amino-1,3,5-triazin-2-yl)-2-methyl-1H-benzimidazol-6-yl]ethynyl}cyclohexanol, Serine/threonine-protein kinase PAK 4 | Authors: | Rouge, L, Tam, C, Wang, W. | Deposit date: | 2013-12-14 | Release date: | 2014-02-12 | Last modified: | 2014-11-05 | Method: | X-RAY DIFFRACTION (2.483 Å) | Cite: | Back Pocket Flexibility Provides Group II p21-Activated Kinase (PAK) Selectivity for Type I 1/2 Kinase Inhibitors. J.Med.Chem., 57, 2014
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4O0V
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![BU of 4o0v by Molmil](/molmil-images/mine/4o0v) | |
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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4O0R
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![BU of 4o0r by Molmil](/molmil-images/mine/4o0r) | |