7LRK
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![BU of 7lrk by Molmil](/molmil-images/mine/7lrk) | Crystal structure of BPTF bromodomain in complex with inhibitor Pdy-3-093 | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{S})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2021-02-16 | Release date: | 2022-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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7LPK
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![BU of 7lpk by Molmil](/molmil-images/mine/7lpk) | Crystal structure of BPTF bromodomain in complex with inhibitor HZ-03-112 | Descriptor: | 1,2-ETHANEDIOL, 4-chloranyl-2-methyl-5-[[(3~{R})-pyrrolidin-3-yl]amino]pyridazin-3-one, Nucleosome-remodeling factor subunit BPTF | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2021-02-12 | Release date: | 2022-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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7LRO
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![BU of 7lro by Molmil](/molmil-images/mine/7lro) | Crystal structure of BPTF bromodomain in complex with inhibitor HZ-01-105 | Descriptor: | 1,2-ETHANEDIOL, 5-(azetidin-3-ylamino)-4-chloranyl-2-methyl-pyridazin-3-one, DIMETHYL SULFOXIDE, ... | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2021-02-17 | Release date: | 2022-08-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition. J.Med.Chem., 64, 2021
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7K6S
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![BU of 7k6s by Molmil](/molmil-images/mine/7k6s) | Crystal structure of the bromodomain (BD) of human Bromodomain and PHD finger-containing Transcription Factor (BPTF) bound to Compound 4 (SKT1174) | Descriptor: | (7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Chan, A, Schonbrunn, E. | Deposit date: | 2020-09-21 | Release date: | 2020-12-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | New inhibitors for the BPTF bromodomain enabled by structural biology and biophysical assay development. Org.Biomol.Chem., 18, 2020
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7KDW
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![BU of 7kdw by Molmil](/molmil-images/mine/7kdw) | |
7K6R
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![BU of 7k6r by Molmil](/molmil-images/mine/7k6r) | |
7KA0
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![BU of 7ka0 by Molmil](/molmil-images/mine/7ka0) | Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and phenylalanine | Descriptor: | ACETATE ION, GLYCEROL, MAGNESIUM ION, ... | Authors: | Chang, C, Michalska, K, Jedrzejczak, R, Wower, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-09-29 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation. Nucleic Acids Res., 49, 2021
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7K9M
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![BU of 7k9m by Molmil](/molmil-images/mine/7k9m) | Crystal structure of the complex of M. tuberculosis PheRS with cognate precursor tRNA and 5'-O-(N-phenylalanyl)sulfamoyl-adenosine | Descriptor: | 5'-O-(L-phenylalanylsulfamoyl)adenosine, GLYCEROL, HEXAETHYLENE GLYCOL, ... | Authors: | Michalska, K, Chang, C, Jedrzejczak, R, Wower, J, Baragana, B, Forte, B, Gilbert, I.H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-09-29 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation. Nucleic Acids Res., 49, 2021
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7KAB
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![BU of 7kab by Molmil](/molmil-images/mine/7kab) | M. tuberculosis PheRS complex with cognate precursor tRNA and phenylalanine | Descriptor: | GLYCEROL, MAGNESIUM ION, PHENYLALANINE, ... | Authors: | Chang, C, Michalska, K, Jedrzejczak, R, Wower, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-09-30 | Release date: | 2021-05-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mycobacterium tuberculosis Phe-tRNA synthetase: structural insights into tRNA recognition and aminoacylation. Nucleic Acids Res., 49, 2021
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7M7V
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![BU of 7m7v by Molmil](/molmil-images/mine/7m7v) | Crystal Structure of Mtb Pks13 Thioesterase domain in complex with Compound 6 | Descriptor: | 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-[(2-oxa-6-azaspiro[3.4]octan-6-yl)methyl]-1-benzofuran-3-carboxamide, Polyketide synthase Pks13 | Authors: | Aggarwal, A, Sacchettini, J.C. | Deposit date: | 2021-03-29 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target. J.Med.Chem., 65, 2022
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1N8Y
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![BU of 1n8y by Molmil](/molmil-images/mine/1n8y) | Crystal structure of the extracellular region of rat HER2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, protooncoprotein | Authors: | Cho, H.-S, Mason, K, Ramyar, K.X, Stanley, A.M, Gabelli, S.B, Denney Jr, D.W, Leahy, D.J. | Deposit date: | 2002-11-21 | Release date: | 2003-02-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the Extracellular Region of HER2 Alone and in complex with the Herceptin Fab Nature, 421, 2003
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1NU6
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![BU of 1nu6 by Molmil](/molmil-images/mine/1nu6) | Crystal structure of human Dipeptidyl Peptidase IV (DPP-IV) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase IV, MERCURY (II) ION | Authors: | Hennig, M, Stihle, M, Thoma, R, Ruf, A. | Deposit date: | 2003-01-31 | Release date: | 2003-08-26 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis of Proline-Specific Exopeptidase Activity as Observed in Human Dipeptidyl Peptidase-IV. Structure, 11, 2003
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1OT7
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![BU of 1ot7 by Molmil](/molmil-images/mine/1ot7) | Structural Basis for 3-deoxy-CDCA Binding and Activation of FXR | Descriptor: | 6-ETHYL-CHENODEOXYCHOLIC ACID, Bile Acid Receptor, ISO-URSODEOXYCHOLIC ACID, ... | Authors: | Mi, L.Z, Devarakonda, S, Harp, J.M, Han, Q, Pellicciari, R, Willson, T.M, Khorasanizadeh, S, Rastinejad, F. | Deposit date: | 2003-03-21 | Release date: | 2004-03-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural Basis for Bile Acid Binding and Activation of the Nuclear Receptor FXR Mol.Cell, 11, 2003
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1PAE
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![BU of 1pae by Molmil](/molmil-images/mine/1pae) | nucleoside diphosphate kinase | Descriptor: | Nucleoside diphosphate kinase, cytosolic, SELENIUM ATOM | Authors: | Strub, M.-P, Hoh, F, Sanchez, J.-F, Strub, J.M, Bock, A, Aumelas, A, Dumas, C. | Deposit date: | 2003-05-14 | Release date: | 2003-11-11 | Last modified: | 2021-10-27 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Selenomethionine and Selenocysteine Double Labeling Strategy for Crystallographic Phasing Structure, 11, 2003
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1OYE
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![BU of 1oye by Molmil](/molmil-images/mine/1oye) | Structural Basis of Multiple Binding Capacity of the AcrB multidrug Efflux Pump | Descriptor: | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID, Acriflavine resistance protein B | Authors: | Yu, E.W, McDermott, G, Zgurskaya, H.I, Nikaido, H, Koshland Jr, D.E. | Deposit date: | 2003-04-03 | Release date: | 2003-05-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.48 Å) | Cite: | Structural basis of multiple drug-binding capacity of the AcrB multidrug efflux pump. Science, 300, 2003
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1OZ1
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![BU of 1oz1 by Molmil](/molmil-images/mine/1oz1) | P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR | Descriptor: | 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14 | Authors: | Lovejoy, B, Villasenor, A, Browner, M, Dunten, P. | Deposit date: | 2003-04-07 | Release date: | 2003-09-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase. J.Med.Chem., 46, 2003
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1OY9
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![BU of 1oy9 by Molmil](/molmil-images/mine/1oy9) | Structural Basis of Multiple Drug Binding Capacity of the AcrB Multidrug Efflux Pump | Descriptor: | Acriflavine resistance protein B, ETHIDIUM | Authors: | Yu, E.W, McDermott, G, Zgurskaya, H.I, Nikaido, H, Koshland Jr, D.E. | Deposit date: | 2003-04-03 | Release date: | 2003-05-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural basis of multiple drug-binding capacity of the AcrB multidrug efflux pump. Science, 300, 2003
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1P4Z
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1OXG
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![BU of 1oxg by Molmil](/molmil-images/mine/1oxg) | Crystal structure of a complex formed between organic solvent treated bovine alpha-chymotrypsin and its autocatalytically produced highly potent 14-residue peptide at 2.2 resolution | Descriptor: | Chymotrypsinogen A, SULFATE ION | Authors: | Singh, N, Jabeen, T, Sharma, S, Roy, I, Gupta, M.N, Bilgrami, S, Singh, T.P. | Deposit date: | 2003-04-02 | Release date: | 2004-05-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Detection of native peptides as potent inhibitors of enzymes. Crystal structure of the complex formed between treated bovine alpha-chymotrypsin and an autocatalytically produced fragment, IIe-Val-Asn-Gly-Glu-Glu-Ala-Val-Pro-Gly-Ser-Trp-Pro-Trp, at 2.2 angstroms resolution. Febs J., 272, 2005
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1OYD
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![BU of 1oyd by Molmil](/molmil-images/mine/1oyd) | Structural Basis of Multiple Binding Capacity of the AcrB multidrug Efflux Pump | Descriptor: | Acriflavine resistance protein B, DEQUALINIUM | Authors: | Yu, E.W, MeDermott, G, Zgurskaya, H.I, Nikaido, H, Koshland Jr, D.E. | Deposit date: | 2003-04-03 | Release date: | 2003-05-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Structural basis of multiple drug-binding capacity of the AcrB multidrug efflux pump. Science, 300, 2003
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1P14
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![BU of 1p14 by Molmil](/molmil-images/mine/1p14) | Crystal structure of a catalytic-loop mutant of the insulin receptor tyrosine kinase | Descriptor: | insulin receptor | Authors: | Li, S, Covino, N.D, Stein, E.G, Till, J.H, Hubbard, S.R. | Deposit date: | 2003-04-11 | Release date: | 2003-07-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and biochemical evidence for an autoinhibitory role for tyrosine 984 in the juxtamembrane region of the insulin receptor J.Biol.Chem., 278, 2003
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1OY6
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![BU of 1oy6 by Molmil](/molmil-images/mine/1oy6) | Structural Basis of the Multiple Binding Capacity of the AcrB Multidrug Efflux Pump | Descriptor: | Acriflavine resistance protein B | Authors: | Yu, E.W, McDermott, G, Zgurskaya, H.I, Nikaido, H, Koshland Jr, D.E. | Deposit date: | 2003-04-03 | Release date: | 2003-05-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.68 Å) | Cite: | Structural basis of multiple drug-binding capacity of the AcrB multidrug efflux pump. Science, 300, 2003
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1OY8
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![BU of 1oy8 by Molmil](/molmil-images/mine/1oy8) | Structural Basis of Multiple Drug Binding Capacity of the AcrB Multidrug Efflux Pump | Descriptor: | Acriflavine resistance protein B, RHODAMINE 6G | Authors: | Yu, E.W, McDermott, G, Zgurskaya, H.I, Nikaido, H, Koshland Jr, D.E. | Deposit date: | 2003-04-03 | Release date: | 2003-05-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.63 Å) | Cite: | Structural basis of multiple drug-binding capacity of the AcrB multidrug efflux pump. Science, 300, 2003
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1PA3
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1P54
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