7YIF
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![BU of 7yif by Molmil](/molmil-images/mine/7yif) | Human KCNH5 pre-open state 1 | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily H member 5 | Authors: | Zhang, M.F. | Deposit date: | 2022-07-16 | Release date: | 2023-04-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Mechanism underlying delayed rectifying in human voltage-mediated activation Eag2 channel. Nat Commun, 14, 2023
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7YID
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![BU of 7yid by Molmil](/molmil-images/mine/7yid) | Human KCNH5 closed state 1 | Descriptor: | POTASSIUM ION, Potassium voltage-gated channel subfamily H member 5 | Authors: | Zhang, M.F. | Deposit date: | 2022-07-16 | Release date: | 2023-04-05 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Mechanism underlying delayed rectifying in human voltage-mediated activation Eag2 channel. Nat Commun, 14, 2023
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8FFR
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![BU of 8ffr by Molmil](/molmil-images/mine/8ffr) | Revised structure of the rabies virus nucleoprotein-RNA complex | Descriptor: | Nucleoprotein, PHOSPHATE ION, RNA (99-MER) | Authors: | Leyrat, C, Bourhis, J.M, Albertini, A.A.V, Wernimont, A.K, Muziol, T, Ravelli, R.B.G, Weissenhorn, W, Ruigrok, R.W.H, Jamin, M. | Deposit date: | 2022-12-09 | Release date: | 2023-01-11 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.49 Å) | Cite: | Structure and Dynamics of the Unassembled Nucleoprotein of Rabies Virus in Complex with Its Phosphoprotein Chaperone Module. Viruses, 14, 2022
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4NFU
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![BU of 4nfu by Molmil](/molmil-images/mine/4nfu) | Structure of the central plant immunity signaling node EDS1 in complex with its interaction partner SAG101 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, EDS1, ISOPROPYL ALCOHOL, ... | Authors: | Wagner, S, Stuttmann, J, Rietz, S, Guerois, R, Niefind, K, Parker, J.E. | Deposit date: | 2013-11-01 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Structural Basis for Signaling by Exclusive EDS1 Heteromeric Complexes with SAG101 or PAD4 in Plant Innate Immunity. Cell Host Microbe, 14, 2013
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7TAU
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![BU of 7tau by Molmil](/molmil-images/mine/7tau) | Refined capsid structure of human adenovirus D26 at 3.4 A resolution | Descriptor: | Fiber, Hexon protein, PIX, ... | Authors: | Reddy, V.S, Yu, X, Barry, M.A. | Deposit date: | 2021-12-21 | Release date: | 2022-03-16 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.38 Å) | Cite: | Refined Capsid Structure of Human Adenovirus D26 at 3.4 angstrom Resolution. Viruses, 14, 2022
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6ZUP
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![BU of 6zup by Molmil](/molmil-images/mine/6zup) | Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - L-(-)-3-phenyllactic acid | Descriptor: | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID, Aminotransferase, MAGNESIUM ION, ... | Authors: | Bujacz, A, Rum, J, Rutkiewicz, M, Pietrzyk-Brzezinska, A.J, Bujacz, G. | Deposit date: | 2020-07-23 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Evidence of Active Site Adaptability towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase from Psychrobacter Sp. B6. Materials (Basel), 14, 2021
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6ZVG
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![BU of 6zvg by Molmil](/molmil-images/mine/6zvg) | Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - L-indole-3-lactic acid | Descriptor: | 3-(INDOL-3-YL) LACTATE, Aminotransferase, MAGNESIUM ION, ... | Authors: | Rum, J, Rutkiewicz, M, Pruska, A, Bujacz, A, Pietrzyk-Brzezinska, A.J, Bujacz, G. | Deposit date: | 2020-07-24 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Structural Evidence of Active Site Adaptability towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase from Psychrobacter Sp. B6. Materials (Basel), 14, 2021
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6ZUR
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![BU of 6zur by Molmil](/molmil-images/mine/6zur) | Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - L-p-hydroxyphenyllactic acid | Descriptor: | (2S)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid, Aminotransferase, MAGNESIUM ION, ... | Authors: | Bujacz, A, Rum, J, Rutkiewicz, M, Pietrzyk-Brzezinska, A.J, Bujacz, G. | Deposit date: | 2020-07-23 | Release date: | 2021-07-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural Evidence of Active Site Adaptability towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase from Psychrobacter Sp. B6. Materials (Basel), 14, 2021
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4BJH
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![BU of 4bjh by Molmil](/molmil-images/mine/4bjh) | Crystal Structure of the Aquifex Reactor Complex Formed by Dihydroorotase (H180A, H232A) with Dihydroorotate and Aspartate Transcarbamoylase with N-(phosphonacetyl)-L-aspartate (PALA) | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, 1,2-ETHANEDIOL, ASPARTATE CARBAMOYLTRANSFERASE, ... | Authors: | Edwards, B.F.P, Martin, P.D, Grimley, E, Vaishnav, A, Fernando, R, Brunzelle, J.S, Cordes, M, Evans, H.G, Evans, D.R. | Deposit date: | 2013-04-18 | Release date: | 2013-12-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Mononuclear Metal Center of Type-I Dihydroorotase from Aquifex Aeolicus. Bmc Biochem., 14, 2013
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4CAH
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![BU of 4cah by Molmil](/molmil-images/mine/4cah) | Structure of inner DysF domain of human dysferlin | Descriptor: | DYSFERLIN, PHOSPHATE ION | Authors: | Sula, A, Cole, A.R, Yeats, C, Orengo, C, Keep, N.H. | Deposit date: | 2013-10-08 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Crystal Structures of the Human Dysferlin Inner Dysf Domain Bmc Struct.Biol., 14, 2014
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4CAI
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![BU of 4cai by Molmil](/molmil-images/mine/4cai) | Structure of inner DysF domain of human dysferlin | Descriptor: | DYSFERLIN, PHOSPHATE ION | Authors: | Sula, A, Cole, A.R, Yeats, C, Orengo, C, Keep, N.H. | Deposit date: | 2013-10-08 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal Structures of the Human Dysferlin Inner Dysf Domain Bmc Struct.Biol., 14, 2014
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6T3V
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![BU of 6t3v by Molmil](/molmil-images/mine/6t3v) | Psychrophilic aromatic amino acids aminotransferase from Psychrobacter sp. B6 cocrystalized with substrate analog - malic acid | Descriptor: | (2S)-2-hydroxybutanedioic acid, Aminotransferase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Rutkiewicz, M, Bujacz, A, Rum, J, Bujacz, G. | Deposit date: | 2019-10-11 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural Evidence of Active Site Adaptability towards Different Sized Substrates of Aromatic Amino Acid Aminotransferase from Psychrobacter Sp. B6. Materials, 14, 2021
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9FA4
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![BU of 9fa4 by Molmil](/molmil-images/mine/9fa4) | |
9FA7
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![BU of 9fa7 by Molmil](/molmil-images/mine/9fa7) | |
6F06
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![BU of 6f06 by Molmil](/molmil-images/mine/6f06) | CATHEPSIN L IN COMPLEX WITH (3S,14E)-8-(azetidin-3-yl)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide | Descriptor: | (3~{S},14~{E})-8-(azetidin-3-yl)-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, CHLORIDE ION, Cathepsin L1, ... | Authors: | Kuglstatter, A, Stihle, M. | Deposit date: | 2017-11-17 | Release date: | 2018-04-11 | Last modified: | 2018-05-09 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
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3JUS
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![BU of 3jus by Molmil](/molmil-images/mine/3jus) | Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with econazole | Descriptor: | 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ... | Authors: | Strushkevich, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-09-15 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of human CYP51 inhibition by antifungal azoles. J. Mol. Biol., 397, 2010
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6FFB
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![BU of 6ffb by Molmil](/molmil-images/mine/6ffb) | 17beta-hydroxysteroid dehydrogenase 14 variant S205 - mutant Q148A - in complex with a nonsteroidal inhibitor | Descriptor: | 17-beta-hydroxysteroid dehydrogenase 14, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ... | Authors: | Bertoletti, N, Heine, A, Klebe, G, Marchais-Oberwinkler, S. | Deposit date: | 2018-01-05 | Release date: | 2019-01-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Mutational and structural studies uncover crucial amino acids determining activity and stability of 17 beta-HSD14. J.Steroid Biochem.Mol.Biol., 189, 2019
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7AOT
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![BU of 7aot by Molmil](/molmil-images/mine/7aot) | The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone | Descriptor: | (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0-5,10]tetracosa- 1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Voll, A.M, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F. | Deposit date: | 2020-10-15 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (0.85 Å) | Cite: | Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity. Angew.Chem.Int.Ed.Engl., 60, 2021
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7AOU
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![BU of 7aou by Molmil](/molmil-images/mine/7aou) | The Fk1 domain of FKBP51 in complex with (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone | Descriptor: | (2'R,5'S,12'R)-12'-cyclohexyl-2'-[2-(3,4-dimethoxyphenyl)ethyl]-3',19'-dioxa-10',13',16'-triazaspiro[cyclopropane-1,15'- tricyclo[18.3.1.0-5,10]tetracosane]-1'(24'),20',22'-triene-4',11',14',17'-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Voll, M.A, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F. | Deposit date: | 2020-10-15 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity. Angew.Chem.Int.Ed.Engl., 60, 2021
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6FMO
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![BU of 6fmo by Molmil](/molmil-images/mine/6fmo) | |
8CCG
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![BU of 8ccg by Molmil](/molmil-images/mine/8ccg) | The Fk1 domain of FKBP51 in complex with (2R,5S,12S)-12-(thiophen-2-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone | Descriptor: | (2~{R},5~{S},12~{S})-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15-dimethyl-12-thiophen-2-yl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Knaup, F.H, Walz, C.M, Hausch, F. | Deposit date: | 2023-01-27 | Release date: | 2023-04-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure-Based Discovery of a New Selectivity-Enabling Motif for the FK506-Binding Protein 51. J.Med.Chem., 66, 2023
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1BUQ
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![BU of 1buq by Molmil](/molmil-images/mine/1buq) | SOLUTION STRUCTURE OF DELTA-5-3-KETOSTEROID ISOMERASE COMPLEXED WITH THE STEROID 19-NORTESTOSTERONE-HEMISUCCINATE | Descriptor: | PROTEIN (3-KETOSTEROID ISOMERASE-19-NORTESTOSTERONE-HEMISUCCINATE), SUCCINIC ACID MONO-(13-METHYL-3-OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL) ESTER | Authors: | Massiah, M.A, Abeygunawardana, C, Gittis, A.G, Mildvan, A.S. | Deposit date: | 1998-09-04 | Release date: | 1999-01-20 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structure of Delta 5-3-ketosteroid isomerase complexed with the steroid 19-nortestosterone hemisuccinate. Biochemistry, 37, 1998
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7AWF
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![BU of 7awf by Molmil](/molmil-images/mine/7awf) | The Fk1 domain of FKBP51 in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone | Descriptor: | (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Voll, M.A, Meyners, C, Heymann, T, Merz, S, Purder, P, Bracher, A, Hausch, F. | Deposit date: | 2020-11-07 | Release date: | 2021-04-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Macrocyclic FKBP51 Ligands Define a Transient Binding Mode with Enhanced Selectivity. Angew.Chem.Int.Ed.Engl., 60, 2021
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7S4H
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![BU of 7s4h by Molmil](/molmil-images/mine/7s4h) | CryoEM structure of Methylococcus capsulatus (Bath) pMMO in a native lipid nanodisc at 2.14 Angstrom resolution | Descriptor: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dihexanoyl-sn-glycero-3-phosphocholine, Ammonia monooxygenase/methane monooxygenase, ... | Authors: | Koo, C.W, Rosenzweig, A.C. | Deposit date: | 2021-09-08 | Release date: | 2022-03-30 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.14 Å) | Cite: | Recovery of particulate methane monooxygenase structure and activity in a lipid bilayer. Science, 375, 2022
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8OTV
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![BU of 8otv by Molmil](/molmil-images/mine/8otv) | Crystal structure of NUDT14 complexed with novel compound | Descriptor: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Balikci, E, Feyerherm, C, Bradshaw, W, Seupel, R, Brennan, P.E, Bountra, C, von Delft, F, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-21 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist. J.Med.Chem., 67, 2024
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