8JXZ
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![BU of 8jxz by Molmil](/molmil-images/mine/8jxz) | Chitin binding SusD-like protein AqSusD in complex with (GlcNAc)3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SusD-like protein AqSusD | Authors: | Yang, J. | Deposit date: | 2023-07-01 | Release date: | 2023-11-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights of a SusD-like protein in marine Bacteroidetes bacteria reveal the molecular basis for chitin recognition and acquisition. Febs J., 291, 2024
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3CCN
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![BU of 3ccn by Molmil](/molmil-images/mine/3ccn) | X-ray structure of c-Met with triazolopyridazine inhibitor. | Descriptor: | 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol, Hepatocyte growth factor receptor | Authors: | Abrecht, B.K, Harmange, J.-C, Bauer, D, Dussault, I, long, A, Bellon, S.F. | Deposit date: | 2008-02-26 | Release date: | 2008-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery and Optimization of Triazolopyridazines as Potent and Selective Inhibitors of the c-Met Kinase. J.Med.Chem., 51, 2008
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4RGB
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![BU of 4rgb by Molmil](/molmil-images/mine/4rgb) | |
4RCE
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![BU of 4rce by Molmil](/molmil-images/mine/4rce) | Crystal structure of BACE1 in complex with aminooxazoline xanthene inhibitor 2 | Descriptor: | (4S)-2'-(2,2-dimethylpropoxy)-7'-(pyrimidin-5-yl)spiro[1,3-oxazole-4,9'-xanthen]-2-amine, Beta-secretase 1, IODIDE ION | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2014-09-15 | Release date: | 2014-12-24 | Last modified: | 2015-01-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Lead Optimization and Modulation of hERG Activity in a Series of Aminooxazoline Xanthene beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1) Inhibitors. J.Med.Chem., 57, 2014
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3OMG
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![BU of 3omg by Molmil](/molmil-images/mine/3omg) | Structure of human SND1 extended tudor domain in complex with the symmetrically dimethylated arginine PIWIL1 peptide R14me2s | Descriptor: | Staphylococcal nuclease domain-containing protein 1, dimethylated arginine peptide R14me2s | Authors: | Lam, R, Liu, K, Guo, Y.H, Bian, C.B, Xu, C, MacKenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2010-08-26 | Release date: | 2010-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural basis for recognition of arginine methylated Piwi proteins by the extended Tudor domain. Proc.Natl.Acad.Sci.USA, 107, 2010
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4RER
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![BU of 4rer by Molmil](/molmil-images/mine/4rer) | Crystal structure of the phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex bound to AMP and cyclodextrin | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, ... | Authors: | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | Deposit date: | 2014-09-23 | Release date: | 2014-12-10 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (4.047 Å) | Cite: | Structural basis of AMPK regulation by adenine nucleotides and glycogen. Cell Res., 25, 2015
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8JHV
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![BU of 8jhv by Molmil](/molmil-images/mine/8jhv) | |
8JK3
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![BU of 8jk3 by Molmil](/molmil-images/mine/8jk3) | |
4LD6
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![BU of 4ld6 by Molmil](/molmil-images/mine/4ld6) | PWWP domain of human PWWP Domain-Containing Protein 2B | Descriptor: | GLYCEROL, PWWP domain-containing protein 2B, UNKNOWN ATOM OR ION | Authors: | Dong, A, Dombrovski, L, Tempel, W, Loppnau, P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2013-06-24 | Release date: | 2013-07-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of PWWP domain of human PWWP Domain-Containing Protein 2B To be Published
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8JOI
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8I7E
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![BU of 8i7e by Molmil](/molmil-images/mine/8i7e) | Crystal structure of Glyceraldehyde 3-phosphate dehydrogenase from Salmonella typhi at 2.05A | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase | Authors: | Kumar, N, Dilawari, R, Chaubey, G.K, Modanwal, R, Talukdar, S, Dhiman, A, Chaudhary, S, Patidar, A, Kumar, A, Raje, C.I, Raje, M, Kumaran, S. | Deposit date: | 2023-01-31 | Release date: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of Glyceraldehyde 3-phosphate dehydrogenase from Salmonella typhi at 2.05A To Be Published
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8KGS
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![BU of 8kgs by Molmil](/molmil-images/mine/8kgs) | Structure of African swine fever virus topoisomerase II in complex with dsDNA | Descriptor: | DNA topoisomerase 2, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Cong, J, Xin, Y, Li, X, Chen, Y. | Deposit date: | 2023-08-19 | Release date: | 2024-04-03 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structural insights into the DNA topoisomerase II of the African swine fever virus. Nat Commun, 15, 2024
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8JU8
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![BU of 8ju8 by Molmil](/molmil-images/mine/8ju8) | de novo designed protein | Descriptor: | de novo designed protein | Authors: | Zhang, L. | Deposit date: | 2023-06-25 | Release date: | 2023-07-26 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | de novo designed Rossmann fold protein To Be Published
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4NJ2
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![BU of 4nj2 by Molmil](/molmil-images/mine/4nj2) | GCN4-p1 triple Val9, 23,30 to Ile mutant | Descriptor: | GLYCEROL, General control protein GCN4 | Authors: | Oshaben, K.M, Horne, W.S. | Deposit date: | 2013-11-08 | Release date: | 2014-08-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Tuning assembly size in Peptide-based supramolecular polymers by modulation of subunit association affinity. Biomacromolecules, 15, 2014
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7LT4
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4MOT
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![BU of 4mot by Molmil](/molmil-images/mine/4mot) | Structure of Streptococcus pneumonia pare in complex with AZ13072886 | Descriptor: | 1-[4-(3-methylbutyl)-5-oxo-6-(pyridin-3-yl)-4,5-dihydro[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-prop-2-en-1-ylurea, Topoisomerase IV subunit B | Authors: | Ogg, D, Boriack-Sjodin, P.A. | Deposit date: | 2013-09-12 | Release date: | 2013-11-20 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Thiazolopyridone ureas as DNA gyrase B inhibitors: Optimization of antitubercular activity and efficacy. Bioorg.Med.Chem.Lett., 24, 2014
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4MUW
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![BU of 4muw by Molmil](/molmil-images/mine/4muw) | Crystal Structure of PDE10A with Novel Keto-Benzimidazole Inhibitor | Descriptor: | 2-{4-[(6,7-difluoro-1H-benzimidazol-2-yl)amino]phenoxy}-N-methyl-3,4'-bipyridin-2'-amine, GLYCEROL, SULFATE ION, ... | Authors: | Chmait, S, Jordan, S. | Deposit date: | 2013-09-23 | Release date: | 2013-10-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.639 Å) | Cite: | Design, Optimization, and Biological Evaluation of Novel Keto-Benzimidazoles as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A). J.Med.Chem., 56, 2013
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8I6K
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![BU of 8i6k by Molmil](/molmil-images/mine/8i6k) | Structure of hMNDA HIN with dsDNA | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DNA (5'-D(*GP*GP*CP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3'), ... | Authors: | Li, Y.L, Jin, T.C. | Deposit date: | 2023-01-28 | Release date: | 2023-07-19 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural mechanism of dsDNA recognition by the hMNDA HIN domain: New insights into the DNA-binding model of a PYHIN protein. Int.J.Biol.Macromol., 245, 2023
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3BYC
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![BU of 3byc by Molmil](/molmil-images/mine/3byc) | Joint neutron and X-ray structure of diisopropyl fluorophosphatase. Deuterium occupancies are 1-Q, where Q is occupancy of H | Descriptor: | CALCIUM ION, Diisopropyl-fluorophosphatase | Authors: | Blum, M.-M, Mustyakimov, M, Ruterjans, H, Schoenborn, B.P, Langan, P, Chen, J.C.-H. | Deposit date: | 2008-01-15 | Release date: | 2009-01-27 | Last modified: | 2024-02-21 | Method: | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | Cite: | Rapid determination of hydrogen positions and protonation states of diisopropyl fluorophosphatase by joint neutron and X-ray diffraction refinement. Proc.Natl.Acad.Sci.Usa, 106, 2009
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3P85
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![BU of 3p85 by Molmil](/molmil-images/mine/3p85) | |
4RCD
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![BU of 4rcd by Molmil](/molmil-images/mine/4rcd) | Crystal structure of BACE1 in complex with a 2-aminooxazoline 4-azaxanthene inhibitor | Descriptor: | (5S)-7-(2-fluoropyridin-3-yl)-3-[(3-methyloxetan-3-yl)ethynyl]spiro[chromeno[2,3-b]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2014-09-15 | Release date: | 2015-01-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibitors of beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE1): Identification of (S)-7-(2-Fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine (AMG-8718). J.Med.Chem., 57, 2014
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3MHH
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![BU of 3mhh by Molmil](/molmil-images/mine/3mhh) | Structure of the SAGA Ubp8/Sgf11/Sus1/Sgf73 DUB module | Descriptor: | Protein SUS1, SAGA-associated factor 11, SAGA-associated factor 73, ... | Authors: | Samara, N.L, Datta, A.B, Berndsen, C.E, Zhang, X, Yao, T, Cohen, R.E, Wolberger, C. | Deposit date: | 2010-04-08 | Release date: | 2010-04-21 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural insights into the assembly and function of the SAGA deubiquitinating module. Science, 328, 2010
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7KWM
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![BU of 7kwm by Molmil](/molmil-images/mine/7kwm) | CtBP1 (28-375) L182F/V185T - AMP | Descriptor: | ADENOSINE MONOPHOSPHATE, C-terminal-binding protein 1, CALCIUM ION | Authors: | Royer, W.E, Del Campo, M. | Deposit date: | 2020-12-01 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | NAD(H) phosphates mediate tetramer assembly of human C-terminal binding protein (CtBP). J.Biol.Chem., 296, 2021
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4QCC
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![BU of 4qcc by Molmil](/molmil-images/mine/4qcc) | |
4Q04
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![BU of 4q04 by Molmil](/molmil-images/mine/4q04) | |