8YQJ
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![BU of 8yqj by Molmil](/molmil-images/mine/8yqj) | Crystal structure of HylD1 | Descriptor: | Lipase | Authors: | Wang, N, Li, C.Y. | Deposit date: | 2024-03-19 | Release date: | 2024-07-31 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Molecular insights into the catalytic mechanism of a phthalate ester hydrolase. J Hazard Mater, 476, 2024
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4N6Z
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![BU of 4n6z by Molmil](/molmil-images/mine/4n6z) | Pim1 Complexed with a pyridylcarboxamide | Descriptor: | 3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide, GLYCEROL, Serine/threonine-protein kinase pim-1 | Authors: | Bellamacina, C.R, Le, V, Shu, W, Burger, M.T, Bussiere, D. | Deposit date: | 2013-10-14 | Release date: | 2013-11-06 | Last modified: | 2014-07-02 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors. ACS Med Chem Lett, 4, 2013
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4GG7
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![BU of 4gg7 by Molmil](/molmil-images/mine/4gg7) | Crystal structure of cMET in complex with novel inhibitor | Descriptor: | Hepatocyte growth factor receptor, N-(3-nitrobenzyl)-6-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine | Authors: | Liu, Q.F, Chen, T.T, Xu, Y.C. | Deposit date: | 2012-08-06 | Release date: | 2012-10-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors. Bioorg.Med.Chem.Lett., 22, 2012
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5UGC
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![BU of 5ugc by Molmil](/molmil-images/mine/5ugc) | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide | Descriptor: | 1,2-ETHANEDIOL, Epidermal growth factor receptor, GLYCEROL, ... | Authors: | Gajiwala, K.S, Ferre, R.A. | Deposit date: | 2017-01-08 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery of N-((3R,4R)-4-Fluoro-1-(6-((3-methoxy-1-methyl-1H-pyrazol-4-yl)amino)-9-methyl-9H-purin-2-yl)pyrrolidine-3-yl)acrylamide (PF-06747775) through Structure-Based Drug Design: A High Affinity Irreversible Inhibitor Targeting Oncogenic EGFR Mutants with Selectivity over Wild-Type EGFR. J. Med. Chem., 60, 2017
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6MWE
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![BU of 6mwe by Molmil](/molmil-images/mine/6mwe) | CRYSTAL STRUCTURE OF TIE2 IN COMPLEX WITH DECIPERA COMPOUND DP1919 | Descriptor: | 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide, Angiopoietin-1 receptor, SULFATE ION | Authors: | Chun, L, Abendroth, J, Edwards, T.E. | Deposit date: | 2018-10-29 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Selective Tie2 Inhibitor Rebastinib Blocks Recruitment and Function of Tie2 Mol. Cancer Ther., 16, 2017
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2QOH
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![BU of 2qoh by Molmil](/molmil-images/mine/2qoh) | Crystal Structure of Abl kinase bound with PPY-A | Descriptor: | 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase ABL1 | Authors: | Zhou, T, Dalgarno, D, Zhu, X. | Deposit date: | 2007-07-20 | Release date: | 2007-09-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of the T315I Mutant of Abl Kinase Chem.Biol.Drug Des., 70, 2007
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8IFG
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![BU of 8ifg by Molmil](/molmil-images/mine/8ifg) | Cryo-EM structure of the Clr6S (Clr6-HDAC) complex from S. pombe | Descriptor: | Chromatin modification-related protein eaf3, Cph1, Cph2, ... | Authors: | Zhang, H.Q, Wang, X, Wang, Y.N, Liu, S.M, Zhang, Y, Xu, K, Ji, L.T, Kornberg, R.D. | Deposit date: | 2023-02-17 | Release date: | 2024-01-03 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Class I histone deacetylase complex: Structure and functional correlates. Proc Natl Acad Sci U S A, 120, 2023
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7CWS
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![BU of 7cws by Molmil](/molmil-images/mine/7cws) | SARS-CoV-2 Spike Proteins Trimer in Complex with FC05 and H014 Fabs Cocktail | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of FC05 Fab, ... | Authors: | Wang, L, Wang, X. | Deposit date: | 2020-08-31 | Release date: | 2020-12-16 | Last modified: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure-based development of human antibody cocktails against SARS-CoV-2. Cell Res., 31, 2021
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6NAX
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![BU of 6nax by Molmil](/molmil-images/mine/6nax) | Olfactomedin domain of mouse myocilin | Descriptor: | CALCIUM ION, GLYCEROL, Myocilin, ... | Authors: | Patterson-Orazem, A.C, Hill, S.E, Lieberman, R.L. | Deposit date: | 2018-12-06 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.551 Å) | Cite: | Differential Misfolding Properties of Glaucoma-Associated Olfactomedin Domains from Humans and Mice. Biochemistry, 58, 2019
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6NNJ
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8J5X
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![BU of 8j5x by Molmil](/molmil-images/mine/8j5x) | The crystal structure of TrkA(G595R) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | Descriptor: | High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | Authors: | Zhang, Z.M, Wang, Y.J. | Deposit date: | 2023-04-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.09192252 Å) | Cite: | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8J5W
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![BU of 8j5w by Molmil](/molmil-images/mine/8j5w) | The crystal structure of TrkA(F589L) kinase in complex with N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | Descriptor: | High affinity nerve growth factor receptor, N-(3-cyclopropyl-5-((4-methylpiperazin-1-yl)methyl)phenyl)-4^6-methyl-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | Authors: | Zhang, Z.M, Wang, Y.J. | Deposit date: | 2023-04-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.28041458 Å) | Cite: | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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7CWU
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![BU of 7cwu by Molmil](/molmil-images/mine/7cwu) | SARS-CoV-2 spike proteins trimer in complex with P17 and FC05 Fabs cocktail | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | Authors: | Wang, X, Wang, N. | Deposit date: | 2020-08-31 | Release date: | 2020-12-16 | Last modified: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure-based development of human antibody cocktails against SARS-CoV-2. Cell Res., 31, 2021
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6NNF
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8J61
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![BU of 8j61 by Molmil](/molmil-images/mine/8j61) | The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | Descriptor: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor | Authors: | Zhang, Z.M, Wang, Y.J. | Deposit date: | 2023-04-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.05065274 Å) | Cite: | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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8J63
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![BU of 8j63 by Molmil](/molmil-images/mine/8j63) | The crystal structure of TrkA kinase in complex with 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide | Descriptor: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-11-oxo-5-oxa-10,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide, High affinity nerve growth factor receptor | Authors: | Zhang, Z.M, Wang, Y.J. | Deposit date: | 2023-04-24 | Release date: | 2023-09-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.0005 Å) | Cite: | Structure-Based Optimization of the Third Generation Type II Macrocycle TRK Inhibitors with Improved Activity against Solvent-Front, xDFG, and Gatekeeper Mutations. J.Med.Chem., 66, 2023
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5HYX
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![BU of 5hyx by Molmil](/molmil-images/mine/5hyx) | Plant peptide hormone receptor RGFR1 in complex with RGF1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PTR-SER-ASN-PRO-GLY-HIS-HIS-PRO-HYP-ARG-HIS-ASN, ... | Authors: | Song, W, Han, Z, Chai, J. | Deposit date: | 2016-02-02 | Release date: | 2017-01-11 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.596 Å) | Cite: | Signature motif-guided identification of receptors for peptide hormones essential for root meristem growth Cell Res., 26, 2016
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6NWL
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![BU of 6nwl by Molmil](/molmil-images/mine/6nwl) | Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex with hydrocortisone and PGC1a coregulator fragment | Descriptor: | (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ... | Authors: | Liu, X, Ortlund, E.A. | Deposit date: | 2019-02-06 | Release date: | 2019-10-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.595 Å) | Cite: | First High-Resolution Crystal Structures of the Glucocorticoid Receptor Ligand-Binding Domain-Peroxisome Proliferator-ActivatedgammaCoactivator 1-alphaComplex with Endogenous and Synthetic Glucocorticoids. Mol.Pharmacol., 96, 2019
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8IX3
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![BU of 8ix3 by Molmil](/molmil-images/mine/8ix3) | Cryo-EM structure of SARS-CoV-2 BA.4/5 spike protein in complex with 1G11 (local refinement) | Descriptor: | BA.4/5 variant spike protein, heavy chain of 1G11, light chain of 1G11 | Authors: | Sun, H, Jiang, Y, Zheng, Z, Zheng, Q, Li, S. | Deposit date: | 2023-03-31 | Release date: | 2023-11-15 | Last modified: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Structural basis for broad neutralization of human antibody against Omicron sublineages and evasion by XBB variant. J.Virol., 97, 2023
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6NM6
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5ZMN
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![BU of 5zmn by Molmil](/molmil-images/mine/5zmn) | Sulfur binding domain and SRA domain of ScoMcrA complexed with phosphorothioated DNA | Descriptor: | DNA (5'-D(*CP*CP*CP*GP*(GS)P*CP*CP*GP*GP*G)-3'), SULFATE ION, Uncharacterized protein McrA | Authors: | Liu, G, Fu, W, Zhang, Z, He, Y, Yu, H, Zhao, Y, Deng, Z, Wu, G, He, X. | Deposit date: | 2018-04-04 | Release date: | 2018-09-26 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | Structural basis for the recognition of sulfur in phosphorothioated DNA. Nat Commun, 9, 2018
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6NWK
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2UYI
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![BU of 2uyi by Molmil](/molmil-images/mine/2uyi) | Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 33 | Descriptor: | (5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE, ADENOSINE-5'-DIPHOSPHATE, KINESIN-LIKE PROTEIN KIF11, ... | Authors: | Lee, T.T. | Deposit date: | 2007-04-07 | Release date: | 2007-05-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Synthesis and Sar of Thiophene Containing Kinesin Spindle Protein (Ksp) Inhibitors. Bioorg.Med.Chem.Lett., 17, 2007
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2UYM
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7CYP
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![BU of 7cyp by Molmil](/molmil-images/mine/7cyp) | Complex of SARS-CoV-2 spike trimer with its neutralizing antibody HB27 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of HB27, ... | Authors: | Wang, X, Zhu, L. | Deposit date: | 2020-09-04 | Release date: | 2021-06-09 | Last modified: | 2022-02-23 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Double lock of a potent human therapeutic monoclonal antibody against SARS-CoV-2. Natl Sci Rev, 8, 2021
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