7E5Y
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![BU of 7e5y by Molmil](/molmil-images/mine/7e5y) | Molecular basis for neutralizing antibody 2B11 targeting SARS-CoV-2 RBD | Descriptor: | 2B11 Fab Heavy chain, 2B11 Fab Light chain, Spike protein S1 | Authors: | Wu, H, Yu, F, Wang, Q.S, Zhou, H, Wang, W.W, Zhao, T, Pan, Y.B, Yang, X.M. | Deposit date: | 2021-02-21 | Release date: | 2021-06-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.59 Å) | Cite: | Screening of potent neutralizing antibodies against SARS-CoV-2 using convalescent patients-derived phage-display libraries. Cell Discov, 7, 2021
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5Z14
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![BU of 5z14 by Molmil](/molmil-images/mine/5z14) | Crystal structure of human TLR8 in complex with CU-CPT9a | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(7-methoxyquinolin-4-yl)-2-methyl-phenol, ... | Authors: | Tanji, H, Ohto, U, Shimizu, T. | Deposit date: | 2017-12-25 | Release date: | 2018-07-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Inhibition of Toll-like Receptor 8 by Specifically Targeting a Unique Allosteric Site and Locking Its Resting State To Be Published
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3PIS
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6IEG
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![BU of 6ieg by Molmil](/molmil-images/mine/6ieg) | Crystal structure of human MTR4 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Exosome RNA helicase MTR4, MAGNESIUM ION | Authors: | Chen, J.Y, Yun, C.H. | Deposit date: | 2018-09-14 | Release date: | 2019-04-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | NRDE2 negatively regulates exosome functions by inhibiting MTR4 recruitment and exosome interaction. Genes Dev., 33, 2019
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5H1T
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![BU of 5h1t by Molmil](/molmil-images/mine/5h1t) | Complex structure of TRIM24 PHD-bromodomain and inhibitor 1 | Descriptor: | DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ZINC ION, ... | Authors: | Liu, J. | Deposit date: | 2016-10-11 | Release date: | 2017-02-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network FEBS J., 284, 2017
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5BQH
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![BU of 5bqh by Molmil](/molmil-images/mine/5bqh) | Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain | Descriptor: | (2-hydroxyethoxy)acetaldehyde, GLUTATHIONE, N-[4-(4-chlorophenyl)-1H-imidazol-2-yl]-2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}benzamide, ... | Authors: | Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G. | Deposit date: | 2015-05-29 | Release date: | 2016-04-13 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J.Med.Chem., 59, 2016
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2KLX
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![BU of 2klx by Molmil](/molmil-images/mine/2klx) | |
7XS8
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3PKO
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![BU of 3pko by Molmil](/molmil-images/mine/3pko) | Crystal structure of geranylgeranyl pyrophosphate synthase from lactobacillus brevis atcc 367 complexed with citrate | Descriptor: | CITRIC ACID, GLYCEROL, Geranylgeranyl pyrophosphate synthase | Authors: | Patskovsky, Y, Toro, R, Rutter, M, Chang, S, Sauder, J.M, Poulter, C.D, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2010-11-11 | Release date: | 2010-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily. Proc.Natl.Acad.Sci.USA, 110, 2013
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7XSC
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7XSA
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7XSB
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3IO7
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![BU of 3io7 by Molmil](/molmil-images/mine/3io7) | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | Descriptor: | (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, Tyrosine-protein kinase JAK2 | Authors: | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | Deposit date: | 2009-08-13 | Release date: | 2009-11-10 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2. Bioorg.Med.Chem.Lett., 19, 2009
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6U6T
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![BU of 6u6t by Molmil](/molmil-images/mine/6u6t) | Neuronal growth regulator 1 (NEGR1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuronal growth regulator 1, ... | Authors: | Machius, M, Venkannagari, H, Misra, A, Rudenko, G. | Deposit date: | 2019-08-30 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Highly Conserved Molecular Features in IgLONs Contrast Their Distinct Structural and Biological Outcomes. J.Mol.Biol., 432, 2020
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7SJS
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7RXS
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![BU of 7rxs by Molmil](/molmil-images/mine/7rxs) | Crystal of BRD4(D1) with 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine | Descriptor: | 1,2-ETHANEDIOL, 2-[(3S)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4 | Authors: | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-23 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
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7RXT
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![BU of 7rxt by Molmil](/molmil-images/mine/7rxt) | Crystal of BRD4(D1) with 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine | Descriptor: | 2-[(3R)-3-{5-[2-(3,5-dimethylphenoxy)pyrimidin-4-yl]-4-(4-iodophenyl)-1H-imidazol-1-yl}pyrrolidin-1-yl]ethan-1-amine, Bromodomain-containing protein 4 | Authors: | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-23 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
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7RXR
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![BU of 7rxr by Molmil](/molmil-images/mine/7rxr) | Crystal Structure of BRD4(D1) with 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(4-bromophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine, Bromodomain-containing protein 4 | Authors: | Cui, H, Johnson, J.A, Shi, K, Aihara, H, Pomerantz, W.C.K. | Deposit date: | 2021-08-23 | Release date: | 2022-01-19 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | A Structure-based Design Approach for Generating High Affinity BRD4 D1-Selective Chemical Probes. J.Med.Chem., 65, 2022
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7SBN
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6ZZB
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3IOK
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![BU of 3iok by Molmil](/molmil-images/mine/3iok) | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2 | Descriptor: | 3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine, Tyrosine-protein kinase JAK2 | Authors: | Zuccola, H.J, Ledeboer, M.W, Pierce, A.C. | Deposit date: | 2009-08-14 | Release date: | 2009-11-10 | Last modified: | 2013-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2. Bioorg.Med.Chem.Lett., 19, 2009
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4L4W
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4D0G
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![BU of 4d0g by Molmil](/molmil-images/mine/4d0g) | Structure of Rab14 in complex with Rab-Coupling Protein (RCP) | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, RAB11 FAMILY-INTERACTING PROTEIN 1, ... | Authors: | Lall, P, Khan, A.R. | Deposit date: | 2014-04-25 | Release date: | 2015-05-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Function Analyses of the Interactions between Rab11 and Rab14 Small Gtpases with Their Shared Effector Rab Coupling Protein (Rcp). J.Biol.Chem., 290, 2015
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5F1R
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![BU of 5f1r by Molmil](/molmil-images/mine/5f1r) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (C10) | Descriptor: | (3~{R})-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, Listeriolysin regulatory protein | Authors: | Begum, A, Grundstrom, C, Good, J.A.D, Andersson, C, ALmqvist, F, Johansson, J, Sauer, U.H, Sauer-Eriksson, A.E. | Deposit date: | 2015-11-30 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Attenuating Listeria monocytogenes Virulence by Targeting the Regulatory Protein PrfA. Cell Chem Biol, 23, 2016
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7N1Z
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![BU of 7n1z by Molmil](/molmil-images/mine/7n1z) | NMR structure of native PnIA | Descriptor: | Alpha-conotoxin PnIA | Authors: | Conibear, A.C, Rosengren, K.J, Lee, H.S. | Deposit date: | 2021-05-28 | Release date: | 2021-11-17 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding. Rsc Med Chem, 12, 2021
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