4CLI
 
 | | Structure of the 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 (2.05 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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4CMT
 | | Structure of the Human Anaplastic Lymphoma Kinase in Complex with the inhibitor 3-((1R)-1-(5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)ethoxy)- 5-(3-(methylsulfonyl)phenyl)pyridin-2-amine | | Descriptor: | 3-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}-5-[3-(methylsulfonyl)phenyl]pyridin-2-amine, 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 (1.73 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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6KVC
 | | MoeE5 in complex with UDP-glucose and NAD | | Descriptor: | MoeE5, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Ko, T.-P, Liu, W, Sun, H, Liu, W, Chen, C.-C, Guo, R.-T. | | Deposit date: | 2019-09-04 | | Release date: | 2019-11-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structure of an antibiotic-synthesizing UDP-glucuronate 4-epimerase MoeE5 in complex with substrate.
Biochem.Biophys.Res.Commun., 521, 2020
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4FVD
 | | Crystal structure of EV71 2A proteinase C110A mutant in complex with substrate | | Descriptor: | 10-mer peptide from 2A proteinase, 2A proteinase, ZINC ION | | Authors: | Cai, Q, Muhammad, Y, Liu, W, Gao, Z, Peng, X, Cai, Y, Wu, C, Zheng, Q, Li, J, Lin, T. | | Deposit date: | 2012-06-29 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Conformational Plasticity of 2A Proteinase from Enterovirus 71
J.Virol., 87, 2013
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4FVB
 | | Crystal structure of EV71 2A proteinase C110A mutant | | Descriptor: | 2A proteinase, ZINC ION | | Authors: | Cai, Q, Muhammad, Y, Liu, W, Gao, Z, Peng, X, Cai, Y, Wu, C, Zheng, Q, Li, J, Lin, T. | | Deposit date: | 2012-06-29 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Conformational Plasticity of 2A Proteinase from Enterovirus 71
J.Virol., 87, 2013
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7EL7
 | | NMR solution structure of the 1:1 complex of a quadruplex-duplex hybrid MYT1L and a platinum(II) ligand L1Pt(dien) | | Descriptor: | G-quadruplex DNA MYT1L, Pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) | | Authors: | Liu, L.-Y, Liu, W, Mao, Z.-W. | | Deposit date: | 2021-04-08 | | Release date: | 2021-12-15 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Spatial Matching Selectivity and Solution Structure of Organic-Metal Hybrid to Quadruplex-Duplex Hybrid.
Angew.Chem.Int.Ed.Engl., 60, 2021
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5Y1Z
 | | Crystal structure of ZMYND8 PHD-BROMO-PWWP tandem in complex with Drebrin ADF-H domain | | Descriptor: | Drebrin, GLYCEROL, Protein kinase C-binding protein 1, ... | | Authors: | Yao, N, Li, J, Liu, H, Wan, J, Liu, W, Zhang, M. | | Deposit date: | 2017-07-22 | | Release date: | 2017-10-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.676 Å) | | Cite: | The Structure of the ZMYND8/Drebrin Complex Suggests a Cytoplasmic Sequestering Mechanism of ZMYND8 by Drebrin
Structure, 25, 2017
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2GLL
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, BENZAMIDINE, CHLORIDE ION | | Authors: | Zhang, L, Liu, W, Shen, X, Jiang, H. | | Deposit date: | 2006-04-05 | | Release date: | 2007-03-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
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2GLV
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) mutant(Y100A) from Helicobacter pylori | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, CHLORIDE ION | | Authors: | Zhang, L, Liu, W, Shen, X, Jiang, H. | | Deposit date: | 2006-04-05 | | Release date: | 2007-03-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
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5ZZ9
 | | Crystal structure of Homer2 EVH1/Drebrin PPXXF complex | | Descriptor: | Homer protein homolog 2, Peptide from Drebrin | | Authors: | Li, Z, Liu, H, Li, J, Liu, W, Zhang, M. | | Deposit date: | 2018-05-31 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Homer Tetramer Promotes Actin Bundling Activity of Drebrin.
Structure, 27, 2019
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2H1Y
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2GLM
 | | Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase(FabZ) from Helicobacter pylori complexed with Compound 2 | | Descriptor: | (3R)-hydroxymyristoyl-acyl carrier protein dehydratase, 2-CHLORO-5-(5-{(E)-[(2Z)-3-(2-METHOXYETHYL)-4-OXO-2-(PHENYLIMINO)-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-2-FURYL)BENZOIC ACID, BENZAMIDINE, ... | | Authors: | Zhang, L, Liu, W, Shen, X, Jiang, H. | | Deposit date: | 2006-04-05 | | Release date: | 2007-03-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for catalytic and inhibitory mechanisms of beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ).
J.Biol.Chem., 283, 2008
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3RZE
 | | Structure of the human histamine H1 receptor in complex with doxepin | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3E)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, (3Z)-3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N,N-dimethylpropan-1-amine, ... | | Authors: | Shimamura, T, Han, G.W, Shiroishi, M, Weyand, S, Tsujimoto, H, Winter, G, Katritch, V, Abagyan, R, Cherezov, V, Liu, W, Kobayashi, T, Stevens, R, Iwata, S, GPCR Network (GPCR) | | Deposit date: | 2011-05-11 | | Release date: | 2011-06-15 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the human histamine H1 receptor complex with doxepin.
Nature, 475, 2011
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3S8G
 | | 1.8 A structure of ba3 cytochrome c oxidase mutant (A120F) from Thermus thermophilus in lipid environment | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ... | | Authors: | Tiefenbrunn, T, Liu, W, Chen, Y, Katritch, V, Stout, C.D, Fee, J.A, Cherezov, V. | | Deposit date: | 2011-05-27 | | Release date: | 2011-08-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment.
Plos One, 6, 2011
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3S8F
 | | 1.8 A structure of ba3 cytochrome c oxidase from Thermus thermophilus in lipid environment | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ... | | Authors: | Tiefenbrunn, T, Liu, W, Chen, Y, Katritch, V, Stout, C.D, Fee, J.A, Cherezov, V. | | Deposit date: | 2011-05-27 | | Release date: | 2011-08-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment.
Plos One, 6, 2011
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4IAR
 | | Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target) | | Descriptor: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine | | Authors: | Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR) | | Deposit date: | 2012-12-07 | | Release date: | 2013-03-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
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7BQW
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5YPI
 | | Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EI1 complex | | Descriptor: | (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | | Authors: | Feng, H, Wang, D, Liu, W. | | Deposit date: | 2017-11-01 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
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5YPK
 | | Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EI2 complex | | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, CHLORIDE ION, Metallo-beta-lactamase NDM-1, ... | | Authors: | Feng, H, Wang, D, Liu, W. | | Deposit date: | 2017-11-02 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
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5YPL
 | | Crystal structure of NDM-1 bound to hydrolyzed imipenem representing an EP complex | | Descriptor: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, CHLORIDE ION, Metallo-beta-lactamase NDM-1, ... | | Authors: | Feng, H, Wang, D, Liu, W. | | Deposit date: | 2017-11-02 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
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5YPN
 | | Crystal structure of NDM-1 bound to hydrolyzed meropenem representing an EI2 complex | | Descriptor: | (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, Metallo-beta-lactamase NDM-1, SULFATE ION, ... | | Authors: | Feng, H, Liu, W, Wang, D. | | Deposit date: | 2017-11-02 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
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5YPM
 | | Crystal structure of NDM-1 bound to hydrolyzed meropenem representing an EI1 complex | | Descriptor: | (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfan yl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid, Metallo-beta-lactamase NDM-1, SULFATE ION, ... | | Authors: | Feng, H, Wang, D, Liu, W. | | Deposit date: | 2017-11-02 | | Release date: | 2018-02-21 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The mechanism of NDM-1-catalyzed carbapenem hydrolysis is distinct from that of penicillin or cephalosporin hydrolysis.
Nat Commun, 8, 2017
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4H37
 | | Crystal structure of a voltage-gated K+ channel pore domain in a closed state in lipid membranes | | Descriptor: | Lmo2059 protein, POTASSIUM ION | | Authors: | Santos, J.S, Asmar-Rovira, G.A, Han, G.W, Liu, W, Syeda, R, Cherezov, V, Baker, K.A, Stevens, R.C, Montal, M. | | Deposit date: | 2012-09-13 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Crystal Structure of a Voltage-gated K+ Channel Pore Module in a Closed State in Lipid Membranes.
J.Biol.Chem., 287, 2012
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7CUN
 | | The structure of human Integrator-PP2A complex | | Descriptor: | Integrator complex subunit 1, Integrator complex subunit 11, Integrator complex subunit 2, ... | | Authors: | Zheng, H, Qi, Y, Liu, W, Li, J, Wang, J, Xu, Y. | | Deposit date: | 2020-08-23 | | Release date: | 2020-11-25 | | Last modified: | 2020-12-09 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Identification of Integrator-PP2A complex (INTAC), an RNA polymerase II phosphatase.
Science, 370, 2020
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4JKV
 | | Structure of the human smoothened 7TM receptor in complex with an antitumor agent | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4-yl}-2-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wang, C, Wu, H, Katritch, V, Han, G.W, Huang, X, Liu, W, Siu, F.Y, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR) | | Deposit date: | 2013-03-11 | | Release date: | 2013-04-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structure of the human smoothened receptor bound to an antitumour agent.
Nature, 497, 2013
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