4TWO
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![BU of 4two by Molmil](/molmil-images/mine/4two) | Human EphA3 Kinase domain in complex with compound 164 | Descriptor: | 5-{[3-carbamoyl-4-(3,4-dimethylphenyl)-5-methylthiophen-2-yl]amino}-5-oxopentanoic acid, Ephrin type-A receptor 3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2014-07-01 | Release date: | 2015-05-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.047 Å) | Cite: | Structural Analysis of the Binding of Type I, I1/2, and II Inhibitors to Eph Tyrosine Kinases. Acs Med.Chem.Lett., 6, 2015
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4TWN
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![BU of 4twn by Molmil](/molmil-images/mine/4twn) | Human EphA3 Kinase domain in complex with Birb796 | Descriptor: | 1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA, Ephrin type-A receptor 3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2014-07-01 | Release date: | 2015-05-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.706 Å) | Cite: | Structural Analysis of the Binding of Type I, I1/2, and II Inhibitors to Eph Tyrosine Kinases. Acs Med.Chem.Lett., 6, 2015
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7KNQ
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![BU of 7knq by Molmil](/molmil-images/mine/7knq) | SARM1 Octamer | Descriptor: | NAD(+) hydrolase SARM1 | Authors: | Shen, C, Wu, H. | Deposit date: | 2020-11-05 | Release date: | 2021-11-17 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Multiple domain interfaces mediate SARM1 autoinhibition. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LD0
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![BU of 7ld0 by Molmil](/molmil-images/mine/7ld0) | Cryo-EM structure of ligand-free Human SARM1 | Descriptor: | NAD(+) hydrolase SARM1 | Authors: | Nanson, J.D, Gu, W, Luo, Z, Jia, X, Landsberg, M.J, Kobe, B, Ve, T. | Deposit date: | 2021-01-12 | Release date: | 2021-03-10 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | SARM1 is a metabolic sensor activated by an increased NMN/NAD + ratio to trigger axon degeneration. Neuron, 109, 2021
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8GNI
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![BU of 8gni by Molmil](/molmil-images/mine/8gni) | Human SARM1 bounded with NMN and Nanobody-C6, Conformation 1 | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NAD(+) hydrolase SARM1, Nanobody C6 | Authors: | Cai, Y, Zhang, H. | Deposit date: | 2022-08-24 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.74 Å) | Cite: | A conformation-specific nanobody targeting the nicotinamide mononucleotide-activated state of SARM1. Nat Commun, 13, 2022
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8GNJ
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![BU of 8gnj by Molmil](/molmil-images/mine/8gnj) | Human SARM1 bounded with NMN and Nanobody-C6, Conformation 2 | Descriptor: | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE, NAD(+) hydrolase SARM1, Nanobody-C6 | Authors: | Cai, Y, Zhang, H. | Deposit date: | 2022-08-24 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.78 Å) | Cite: | A conformation-specific nanobody targeting the nicotinamide mononucleotide-activated state of SARM1. Nat Commun, 13, 2022
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8GQ5
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![BU of 8gq5 by Molmil](/molmil-images/mine/8gq5) | |
3FXX
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![BU of 3fxx by Molmil](/molmil-images/mine/3fxx) | Human EphA3 Kinase and Juxtamembrane Region Bound to Substrate KQWDNYE[pTyr]IW | Descriptor: | Ephrin type-A receptor 3, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Davis, T, Walker, J.R, Mackenzie, F, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-01-21 | Release date: | 2009-02-03 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural recognition of an optimized substrate for the ephrin family of receptor tyrosine kinases. Febs J., 276, 2009
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3FY2
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![BU of 3fy2 by Molmil](/molmil-images/mine/3fy2) | Human EphA3 Kinase and Juxtamembrane Region Bound to Substrate KQWDNYEFIW | Descriptor: | Ephrin type-A receptor 3, peptide substrate | Authors: | Davis, T, Walker, J.R, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-01-21 | Release date: | 2009-02-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural recognition of an optimized substrate for the ephrin family of receptor tyrosine kinases. Febs J., 276, 2009
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4P5Z
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![BU of 4p5z by Molmil](/molmil-images/mine/4p5z) | Human EphA3 Kinase domain in complex with quinoxaline derivatives | Descriptor: | 2-amino-1-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2014-03-20 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.002 Å) | Cite: | Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation. J.Med.Chem., 57, 2014
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4P5Q
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![BU of 4p5q by Molmil](/molmil-images/mine/4p5q) | Human EphA3 Kinase domain in complex with quinoxaline derivatives | Descriptor: | 2-amino-1-(2-chlorophenyl)-N-(3-ethoxypropyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, Ephrin type-A receptor 3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2014-03-19 | Release date: | 2014-08-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation. J.Med.Chem., 57, 2014
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4P4C
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![BU of 4p4c by Molmil](/molmil-images/mine/4p4c) | Human EphA3 Kinase domain in complex with quinoxaline derivatives | Descriptor: | 2-amino-1-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide, EPH receptor A3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2014-03-12 | Release date: | 2014-08-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Pyrrolo[3,2-b]quinoxaline Derivatives as Types I1/2 and II Eph Tyrosine Kinase Inhibitors: Structure-Based Design, Synthesis, and in Vivo Validation. J.Med.Chem., 57, 2014
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7CM6
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![BU of 7cm6 by Molmil](/molmil-images/mine/7cm6) | NAD+-bound Sarm1 in the self-inhibited state | Descriptor: | NAD(+) hydrolase SARM1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Zhang, Z, Jiang, Y. | Deposit date: | 2020-07-25 | Release date: | 2020-10-21 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | The NAD + -mediated self-inhibition mechanism of pro-neurodegenerative SARM1. Nature, 588, 2020
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7DJT
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![BU of 7djt by Molmil](/molmil-images/mine/7djt) | Human SARM1 inhibitory state bounded with inhibitor dHNN | Descriptor: | NAD(+) hydrolase SARM1, O3-methyl O5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate | Authors: | Cai, Y, Zhang, H. | Deposit date: | 2020-11-21 | Release date: | 2021-05-19 | Last modified: | 2023-11-15 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Permeant fluorescent probes visualize the activation of SARM1 and uncover an anti-neurodegenerative drug candidate. Elife, 10, 2021
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4G2F
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![BU of 4g2f by Molmil](/molmil-images/mine/4g2f) | Human EphA3 kinase domain in complex with compound 7 | Descriptor: | 1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6(5H)-one, EPH receptor A3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2012-07-12 | Release date: | 2012-10-24 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics. ACS MED.CHEM.LETT., 3, 2012
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4GK3
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![BU of 4gk3 by Molmil](/molmil-images/mine/4gk3) | Human EphA3 Kinase domain in complex with ligand 87 | Descriptor: | 8-butyl-1-methyl-7-(2-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2012-08-10 | Release date: | 2013-01-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography. J.Med.Chem., 56, 2013
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4GK2
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![BU of 4gk2 by Molmil](/molmil-images/mine/4gk2) | Human EphA3 Kinase domain in complex with ligand 66 | Descriptor: | 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2012-08-10 | Release date: | 2013-01-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.195 Å) | Cite: | Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography. J.Med.Chem., 56, 2013
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4GK4
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![BU of 4gk4 by Molmil](/molmil-images/mine/4gk4) | Human EphA3 Kinase domain in complex with ligand 90 | Descriptor: | 8-butyl-1-methyl-7-(5-methyl-1H-indazol-4-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione, EPH receptor A3 | Authors: | Dong, J, Caflisch, A. | Deposit date: | 2012-08-10 | Release date: | 2013-01-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Optimization of Inhibitors of the Tyrosine Kinase EphB4. 2. Cellular Potency Improvement and Binding Mode Validation by X-ray Crystallography. J.Med.Chem., 56, 2013
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3DZQ
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![BU of 3dzq by Molmil](/molmil-images/mine/3dzq) | Human EphA3 kinase domain in complex with inhibitor AWL-II-38.3 | Descriptor: | EPH receptor A3, N-[2-methyl-5-({[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]carbonyl}amino)phenyl]isoxazole-5-carboxamide | Authors: | Walker, J.R, Syeda, F, Gray, N, Mansoor, W, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-07-30 | Release date: | 2008-08-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Kinase Domain of Human Ephrin Type-A Receptor 3 (Epha3) in Complex with ALW-II-38-3. To be Published
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7CM5
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![BU of 7cm5 by Molmil](/molmil-images/mine/7cm5) | Full-length Sarm1 in a self-inhibited state | Descriptor: | NAD(+) hydrolase SARM1 | Authors: | Zhang, Z, Jiang, Y. | Deposit date: | 2020-07-24 | Release date: | 2020-10-21 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | The NAD + -mediated self-inhibition mechanism of pro-neurodegenerative SARM1. Nature, 588, 2020
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7CM7
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![BU of 7cm7 by Molmil](/molmil-images/mine/7cm7) | NAD+-bound Sarm1 E642A in the self-inhibited state | Descriptor: | NAD(+) hydrolase SARM1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Zhang, Z, Jiang, Y. | Deposit date: | 2020-07-25 | Release date: | 2020-10-21 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | The NAD + -mediated self-inhibition mechanism of pro-neurodegenerative SARM1. Nature, 588, 2020
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2QOB
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![BU of 2qob by Molmil](/molmil-images/mine/2qob) | Human EphA3 kinase domain, base structure | Descriptor: | BETA-MERCAPTOETHANOL, Ephrin receptor | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-20 | Release date: | 2007-08-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3). Structure, 16, 2008
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2QOO
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![BU of 2qoo by Molmil](/molmil-images/mine/2qoo) | Human EphA3 kinase and juxtamembrane region, Y596F:Y602F:Y742F triple mutant | Descriptor: | Ephrin receptor | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-20 | Release date: | 2007-08-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3). Structure, 16, 2008
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2QOF
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![BU of 2qof by Molmil](/molmil-images/mine/2qof) | Human EphA3 kinase and juxtamembrane region, Y596F mutant | Descriptor: | BETA-MERCAPTOETHANOL, Ephrin receptor | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-20 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3). Structure, 16, 2008
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2QO2
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![BU of 2qo2 by Molmil](/molmil-images/mine/2qo2) | Human EphA3 kinase and juxtamembrane region, dephosphorylated, apo structure | Descriptor: | BETA-MERCAPTOETHANOL, Ephrin receptor | Authors: | Davis, T, Walker, J.R, Newman, E.M, Mackenzie, F, Butler-Cole, C, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-07-19 | Release date: | 2007-08-21 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Autoregulation by the Juxtamembrane Region of the Human Ephrin Receptor Tyrosine Kinase A3 (EphA3). Structure, 16, 2008
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