5UG9
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![BU of 5ug9 by Molmil](/molmil-images/mine/5ug9) | 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-(propan-2-yl)-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: | 2017-01-07 | Release date: | 2017-03-22 | Last modified: | 2018-10-10 | Method: | X-RAY DIFFRACTION (1.33 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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5UGA
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![BU of 5uga by Molmil](/molmil-images/mine/5uga) | Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium | Descriptor: | 4-(4-{[2-{[(3S)-1-acetylpyrrolidin-3-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}phenyl)-1-methylpiperazin-1-ium, Epidermal growth factor receptor, GLYCEROL, ... | Authors: | Gajiwala, K.S, Ferre, R.A. | Deposit date: | 2017-01-07 | Release date: | 2017-03-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.82 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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5UGB
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3RWP
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![BU of 3rwp by Molmil](/molmil-images/mine/3rwp) | Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1) | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | Authors: | Greasley, S.E, Hickey, M, Ferre, R.-A, Krauss, M, Cronin, C. | Deposit date: | 2011-05-09 | Release date: | 2011-11-16 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1). J.Med.Chem., 54, 2011
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3RWQ
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![BU of 3rwq by Molmil](/molmil-images/mine/3rwq) | Discovery of a Novel, Potent and Selective Inhibitor of 3-Phosphoinositide Dependent Kinase (PDK1) | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, GLYCEROL, SULFATE ION, ... | Authors: | Kazmirski, S, Kohls, D. | Deposit date: | 2011-05-09 | Release date: | 2011-11-16 | Last modified: | 2011-12-28 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Discovery of Novel, Potent, and Selective Inhibitors of 3-Phosphoinositide-Dependent Kinase (PDK1). J.Med.Chem., 54, 2011
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7LT3
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![BU of 7lt3 by Molmil](/molmil-images/mine/7lt3) | NHEJ Long-range synaptic complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (30-MER), DNA (31-MER), ... | Authors: | He, Y, Chen, S. | Deposit date: | 2021-02-18 | Release date: | 2021-04-14 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural basis of long-range to short-range synaptic transition in NHEJ. Nature, 593, 2021
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7LSY
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![BU of 7lsy by Molmil](/molmil-images/mine/7lsy) | NHEJ Short-range synaptic complex | Descriptor: | DNA (26-MER), DNA (5'-D(P*CP*AP*AP*TP*GP*AP*AP*AP*CP*GP*GP*AP*AP*CP*AP*GP*TP*CP*AP*G)-3'), DNA (5'-D(P*GP*TP*TP*CP*TP*TP*AP*GP*TP*AP*TP*AP*TP*A)-3'), ... | Authors: | He, Y, Chen, S. | Deposit date: | 2021-02-18 | Release date: | 2021-04-14 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (8.4 Å) | Cite: | Structural basis of long-range to short-range synaptic transition in NHEJ. Nature, 593, 2021
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2YFX
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![BU of 2yfx by Molmil](/molmil-images/mine/2yfx) | Structure of L1196M Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, TYROSINE-PROTEIN KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A. | Deposit date: | 2011-04-08 | Release date: | 2011-05-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib. J.Med.Chem., 57, 2014
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1ZEN
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![BU of 1zen by Molmil](/molmil-images/mine/1zen) | CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE | Descriptor: | CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE, ZINC ION | Authors: | Cooper, S.J, Leonard, G.A, Hunter, W.N. | Deposit date: | 1996-07-08 | Release date: | 1997-07-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of a class II fructose-1,6-bisphosphate aldolase shows a novel binuclear metal-binding active site embedded in a familiar fold. Structure, 4, 1996
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2YHV
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3R8R
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![BU of 3r8r by Molmil](/molmil-images/mine/3r8r) | |
3R5E
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4IQJ
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![BU of 4iqj by Molmil](/molmil-images/mine/4iqj) | Structure of PolIIIalpha-Tauc-DNA complex suggests an atomic model of the replisome | Descriptor: | DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*GP*TP*GP*GP*CP*AP*CP*TP*GP*GP*CP*CP*GP*TP*CP*GP*TP*TP*TP*CP*G)-3'), DNA (5'-D(P*CP*GP*AP*AP*AP*CP*GP*AP*CP*GP*GP*CP*CP*AP*GP*TP*GP*CP*CP*A)-3'), DNA (5'-D(P*CP*GP*AP*AP*AP*CP*GP*AP*CP*GP*GP*CP*CP*AP*GP*TP*GP*CP*CP*AP*(DOC))-3'), ... | Authors: | Liu, B, Lin, J, Steitz, T. | Deposit date: | 2013-01-11 | Release date: | 2013-03-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of PolIIIalpha-Tauc-DNA complex suggests an atomic model of the replisome Structure, 21, 2013
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1OVB
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![BU of 1ovb by Molmil](/molmil-images/mine/1ovb) | THE MECHANISM OF IRON UPTAKE BY TRANSFERRINS: THE STRUCTURE OF AN 18KD NII-DOMAIN FRAGMENT AT 2.3 ANGSTROMS RESOLUTION | Descriptor: | CARBONATE ION, FE (III) ION, OVOTRANSFERRIN | Authors: | Kuser, P, Lindley, P, Sarra, R. | Deposit date: | 1992-10-05 | Release date: | 1994-01-31 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The mechanism of iron uptake by transferrins: the structure of an 18 kDa NII-domain fragment from duck ovotransferrin at 2.3 A resolution. Acta Crystallogr.,Sect.D, 49, 1993
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4ANL
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4ANQ
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![BU of 4anq by Molmil](/molmil-images/mine/4anq) | Structure of G1269A Mutant Anaplastic Lymphoma Kinase in Complex with Crizotinib | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A. | Deposit date: | 2012-03-21 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Design of Potent and Selective Inhibitors to Overcome Clinical Anaplastic Lymphoma Kinase Mutations Resistant to Crizotinib. J.Med.Chem., 57, 2014
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1DOT
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6CNC
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![BU of 6cnc by Molmil](/molmil-images/mine/6cnc) | Yeast RNA polymerase III open complex | Descriptor: | DNA (71-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | Authors: | Han, Y, He, Y. | Deposit date: | 2018-03-08 | Release date: | 2018-08-22 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural visualization of RNA polymerase III transcription machineries. Cell Discov, 4, 2018
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6CNF
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![BU of 6cnf by Molmil](/molmil-images/mine/6cnf) | Yeast RNA polymerase III elongation complex | Descriptor: | DNA (79-MER), DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, ... | Authors: | Han, Y, He, Y. | Deposit date: | 2018-03-08 | Release date: | 2018-08-22 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Structural visualization of RNA polymerase III transcription machineries. Cell Discov, 4, 2018
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3ML9
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3ML8
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6S9J
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![BU of 6s9j by Molmil](/molmil-images/mine/6s9j) | Crystal structure of TfR1 mimicry in complex with GP1 from MACV | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Pre-glycoprotein polyprotein GP complex, ... | Authors: | Diskin, R, Cohen-Dvashi, H. | Deposit date: | 2019-07-15 | Release date: | 2020-01-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.698 Å) | Cite: | Rational design of universal immunotherapy for TfR1-tropic arenaviruses. Nat Commun, 11, 2020
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1TFD
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5CD4
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![BU of 5cd4 by Molmil](/molmil-images/mine/5cd4) | The Type IE CRISPR Cascade complex from E. coli, with two assemblies in the asymmetric unit arranged back-to-back | Descriptor: | CRISPR system Cascade subunit CasA, CRISPR system Cascade subunit CasB, CRISPR system Cascade subunit CasC, ... | Authors: | Jackson, R.N, Golden, S.M, Carter, J, Wiedenheft, B. | Deposit date: | 2015-07-03 | Release date: | 2015-08-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Mechanism of CRISPR-RNA guided recognition of DNA targets in Escherichia coli. Nucleic Acids Res., 43, 2015
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4CCU
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![BU of 4ccu by Molmil](/molmil-images/mine/4ccu) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy) pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol | Descriptor: | 2-(5-(6-amino-5-((R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)pyridin-3-yl)-4-methylthiazol-2-yl)propan-2-ol, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2013-10-28 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Design of Potent and Selective Inhibitors to Overcome Clinical Alk Mutations Resistant to Crizotinib. J.Med.Chem., 57, 2014
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