4CMU
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![BU of 4cmu by Molmil](/molmil-images/mine/4cmu) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor (10R)-7-amino-12-fluoro-1,3,10,16-tetramethyl-16,17-dihydro- 1H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11)benzoxadiazacyclotetradecin-15(10H)-one | Descriptor: | (10R)-7-amino-12-fluoro-1,3,10,16-tetramethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | Deposit date: | 2014-01-17 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations. J.Med.Chem., 57, 2014
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4CTC
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![BU of 4ctc by Molmil](/molmil-images/mine/4ctc) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17- dihydro-1H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecin-15(10H)-one | Descriptor: | (10R)-7-amino-3-cyclopropyl-12-fluoro-1,10,16-trimethyl-16,17-dihydro-1H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | Deposit date: | 2014-03-12 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations. J.Med.Chem., 57, 2014
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4ES3
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4CTB
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![BU of 4ctb by Molmil](/molmil-images/mine/4ctb) | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor (5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20- tetrahydro-7,11-(azeno)pyrido(2',1':2,3)imidazo(4,5-h)(2,5,11) benzoxadiazacyclotetradecine-14-carbonitrile | Descriptor: | (5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | Deposit date: | 2014-03-12 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations. J.Med.Chem., 57, 2014
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4CLJ
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![BU of 4clj by Molmil](/molmil-images/mine/4clj) | Structure of L1196M Mutant Human Anaplastic Lymphoma Kinase in Complex with PF-06463922 ((10R)-7-amino-12-fluoro-2,10,16-trimethyl- 15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo(4,3-h)(2,5,11) benzoxadiazacyclotetradecine-3-carbonitrile). | Descriptor: | (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M.A, Deng, Y.L, Liu, W, Brooun, A, Stewart, A.E. | Deposit date: | 2014-01-14 | Release date: | 2014-05-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of (10R)-7-Amino-12-Fluoro-2,10,16-Trimethyl-15-Oxo-10,15,16,17-Tetrahydro-2H-8,4-(Metheno)Pyrazolo[4,3-H][2,5,11]Benzoxadiazacyclotetradecine-3-Carbonitrile (Pf-06463922), a Macrocyclic Inhibitor of Alk/Ros1 with Pre-Clinical Brain Exposure and Broad Spectrum Potency Against Alk-Resistant Mutations. J.Med.Chem., 57, 2014
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4ES2
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![BU of 4es2 by Molmil](/molmil-images/mine/4es2) | |
4ES1
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![BU of 4es1 by Molmil](/molmil-images/mine/4es1) | |
5IC0
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![BU of 5ic0 by Molmil](/molmil-images/mine/5ic0) | Structural analysis of a talin triple domain module | Descriptor: | 1,2-ETHANEDIOL, Talin-1 | Authors: | Wu, J, Chang, Y.-C.E, Zhang, H, Brennan, M.L. | Deposit date: | 2016-02-22 | Release date: | 2016-05-18 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural and Functional Analysis of a Talin Triple-Domain Module Suggests an Alternative Talin Autoinhibitory Configuration. Structure, 24, 2016
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3FKT
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5KZ0
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![BU of 5kz0 by Molmil](/molmil-images/mine/5kz0) | Structure of Human Anaplastic Lymphoma Kinase in Complex With 2-[(1R)-1-{[2-amino-5-(1,3-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl]oxy}ethyl]-4-fluoro-N,N-dimethylbenzamide | Descriptor: | 2-[(1~{R})-1-[2-azanyl-5-(1,3-dimethylpyrazol-4-yl)pyridin-3-yl]oxyethyl]-4-fluoranyl-~{N},~{N}-dimethyl-benzamide, ALK tyrosine kinase receptor | Authors: | McTigue, M, Deng, Y.L, Liu, W, Brooun, A. | Deposit date: | 2016-07-22 | Release date: | 2016-08-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain exposure and broad-spectrum potency against ALK-resistant mutations. J. Med. Chem., 57, 2014
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5W2J
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![BU of 5w2j by Molmil](/molmil-images/mine/5w2j) | Crystal structure of dimeric form of mouse Glutaminase C | Descriptor: | CHLORIDE ION, Glutaminase kidney isoform, mitochondrial, ... | Authors: | Cerione, R.A, Li, Y. | Deposit date: | 2017-06-06 | Release date: | 2018-10-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mechanistic Basis of Glutaminase Activation: A KEY ENZYME THAT PROMOTES GLUTAMINE METABOLISM IN CANCER CELLS. J. Biol. Chem., 291, 2016
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7BFM
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![BU of 7bfm by Molmil](/molmil-images/mine/7bfm) | |
6KI3
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![BU of 6ki3 by Molmil](/molmil-images/mine/6ki3) | The crystal structure of AsfvAP:dF commplex | Descriptor: | DNA (5'-D(*CP*CP*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*GP*CP*TP*G)-3'), DNA (5'-D(*GP*CP*AP*GP*CP*GP*TP*CP*C)-3'), DNA (5'-D(P*(3DR)P*CP*GP*AP*CP*GP*AP*G)-3'), ... | Authors: | Chen, Y, Gan, J. | Deposit date: | 2019-07-17 | Release date: | 2020-05-27 | Method: | X-RAY DIFFRACTION (2.354 Å) | Cite: | A unique DNA-binding mode of African swine fever virus AP endonuclease. Cell Discov, 6, 2020
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7CSW
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![BU of 7csw by Molmil](/molmil-images/mine/7csw) | Pseudomonas aeruginosa antitoxin HigA with pa2440 promoter | Descriptor: | HTH cro/C1-type domain-containing protein, pa2440 | Authors: | Song, Y.J, Luo, G.H, Bao, R. | Deposit date: | 2020-08-17 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs. Environ.Microbiol., 23, 2021
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7CSV
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![BU of 7csv by Molmil](/molmil-images/mine/7csv) | Pseudomonas aeruginosa antitoxin HigA | Descriptor: | HTH cro/C1-type domain-containing protein | Authors: | Song, Y.J, Luo, G.H, Bao, R. | Deposit date: | 2020-08-17 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs. Environ.Microbiol., 23, 2021
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7CSY
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![BU of 7csy by Molmil](/molmil-images/mine/7csy) | Pseudomonas aeruginosa antitoxin HigA with higBA promoter | Descriptor: | DNA (28-MER), DNA (29-MER), HTH cro/C1-type domain-containing protein, ... | Authors: | Song, Y.J, Luo, G.H, Bao, R. | Deposit date: | 2020-08-17 | Release date: | 2021-01-13 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs. Environ.Microbiol., 23, 2021
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7CO3
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![BU of 7co3 by Molmil](/molmil-images/mine/7co3) | HtrA-type protease AlgWS227A with tripeptide | Descriptor: | AlgW protein, TRP-VAL-PHE | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-03 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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7CO2
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![BU of 7co2 by Molmil](/molmil-images/mine/7co2) | HtrA-type protease AlgW with tripeptide | Descriptor: | AlgW protein, IMIDAZOLE, TRP-VAL-PHE | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-03 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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7CO5
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![BU of 7co5 by Molmil](/molmil-images/mine/7co5) | HtrA-type protease AlgW with decapeptide | Descriptor: | AlgW protein, IMIDAZOLE, decapeptide SVRDELRWVF | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-03 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.345 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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7CO7
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![BU of 7co7 by Molmil](/molmil-images/mine/7co7) | HtrA-type protease AlgWS227A with decapeptide | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, AlgW protein, decapeptide SVRDELRWVF | Authors: | Li, T, Song, Y.J, Bao, R. | Deposit date: | 2020-08-04 | Release date: | 2021-03-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular Basis of the Versatile Regulatory Mechanism of HtrA-Type Protease AlgW from Pseudomonas aeruginosa. Mbio, 12, 2021
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2P8H
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![BU of 2p8h by Molmil](/molmil-images/mine/2p8h) | Crystal structure of human beta secretase complexed with inhibitor | Descriptor: | Beta-secretase 1, N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-[(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN-4-YL]ETHYL}-N'-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE | Authors: | Munshi, S. | Deposit date: | 2007-03-22 | Release date: | 2007-08-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and Synthesis of 2,3,5-Substituted Imidazolidin-4-one Inhibitors of BACE-1. Chemmedchem, 2, 2007
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7U3R
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![BU of 7u3r by Molmil](/molmil-images/mine/7u3r) | [2T7+10] Self-assembling tensegrity triangle with two turns of DNA and the sticky end attachment of a one-turn linker per axis, with R3 symmetry | Descriptor: | DNA (5'-D(*AP*CP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(*GP*AP*TP*GP*CP*TP*GP*AP*GP*T)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*TP*GP*T)-3'), ... | Authors: | Woloszyn, K, Vecchioni, S, Lu, B, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-02-28 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (6.27 Å) | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants. Adv Mater, 34, 2022
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7U3Y
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![BU of 7u3y by Molmil](/molmil-images/mine/7u3y) | [L233] Self-assembling tensegrity triangle with two turns, three turns and three turns of DNA per axis by linker addition with P1 symmetry | Descriptor: | DNA (5'-D(*AP*AP*CP*CP*TP*AP*CP*CP*TP*GP*GP*CP*AP*GP*GP*AP*CP*GP*AP*CP*T)-3'), DNA (5'-D(*AP*CP*TP*GP*AP*TP*GP*TP*GP*GP*TP*AP*GP*G)-3'), DNA (5'-D(*AP*GP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), ... | Authors: | Woloszyn, K, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-02-28 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (6.06 Å) | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants. Adv Mater, 34, 2022
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7U3P
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![BU of 7u3p by Molmil](/molmil-images/mine/7u3p) | [3T7] Self-assembling tensegrity triangle with three turns of DNA per axis with R3 symmetry | Descriptor: | DNA (31-MER), DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), DNA (5'-D(P*GP*GP*CP*TP*GP*C)-3'), ... | Authors: | Woloszyn, K, Vecchioni, S, Lu, B, Ma, Y, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-02-28 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (6.06 Å) | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants. Adv Mater, 34, 2022
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7U3S
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![BU of 7u3s by Molmil](/molmil-images/mine/7u3s) | [2T7+21] Self-assembling tensegrity triangle with two turns of DNA and the sticky end addition of a two-turn linker per axis with R3 symmetry | Descriptor: | DNA (5'-D(P*CP*CP*GP*TP*AP*CP*A)-3'), DNA (5'-D(P*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*AP*CP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*GP*AP*TP*GP*CP*TP*GP*AP*CP*GP*TP*AP*GP*TP*AP*GP*CP*AP*GP*AP*G)-3'), ... | Authors: | Woloszyn, K, Vecchioni, S, Seeman, N.C, Sha, R, Ohayon, Y.P. | Deposit date: | 2022-02-28 | Release date: | 2022-09-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (9.5 Å) | Cite: | Augmented DNA Nanoarchitectures: A Structural Library of 3D Self-Assembling Tensegrity Triangle Variants. Adv Mater, 34, 2022
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