6GY0
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![BU of 6gy0 by Molmil](/molmil-images/mine/6gy0) | mPI3Kd IN COMPLEX WITH AZ3 | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, ~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide | Authors: | Petersen, J. | Deposit date: | 2018-06-27 | Release date: | 2019-02-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | A class of highly selective inhibitors bind to an active state of PI3K gamma. Nat.Chem.Biol., 15, 2019
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5C46
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![BU of 5c46 by Molmil](/molmil-images/mine/5c46) | |
5C4G
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![BU of 5c4g by Molmil](/molmil-images/mine/5c4g) | |
5EE5
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![BU of 5ee5 by Molmil](/molmil-images/mine/5ee5) | Structure of human ARL1 in complex with the DCB domain of BIG1 | Descriptor: | ACETATE ION, ADP-ribosylation factor-like protein 1, Brefeldin A-inhibited guanine nucleotide-exchange protein 1, ... | Authors: | Galindo, A, Soler, N, Munro, S. | Deposit date: | 2015-10-22 | Release date: | 2016-07-06 | Last modified: | 2016-07-27 | Method: | X-RAY DIFFRACTION (2.279 Å) | Cite: | Structural Insights into Arl1-Mediated Targeting of the Arf-GEF BIG1 to the trans-Golgi. Cell Rep, 16, 2016
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5M7G
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![BU of 5m7g by Molmil](/molmil-images/mine/5m7g) | Tubulin-MTD147 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | Deposit date: | 2016-10-27 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.248 Å) | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. Nat Commun, 8, 2017
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5M8G
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![BU of 5m8g by Molmil](/molmil-images/mine/5m8g) | Tubulin-MTD265 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(2-morpholin-4-yl-6-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | Deposit date: | 2016-10-28 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.147 Å) | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. Nat Commun, 8, 2017
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5M8D
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![BU of 5m8d by Molmil](/molmil-images/mine/5m8d) | Tubulin MTD265-R1 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | Deposit date: | 2016-10-28 | Release date: | 2017-03-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. Nat Commun, 8, 2017
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5M7E
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![BU of 5m7e by Molmil](/molmil-images/mine/5m7e) | Tubulin-BKM120 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine, CALCIUM ION, ... | Authors: | Bohnacker, T, Prota, A.E, Steinmetz, M.O, Wymann, M.P. | Deposit date: | 2016-10-27 | Release date: | 2017-02-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.046 Å) | Cite: | Deconvolution of Buparlisib's mechanism of action defines specific PI3K and tubulin inhibitors for therapeutic intervention. Nat Commun, 8, 2017
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3EN5
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![BU of 3en5 by Molmil](/molmil-images/mine/3en5) | Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP494, a multitargeted kinase inhibitor | Descriptor: | 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | Deposit date: | 2008-09-25 | Release date: | 2008-10-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat.Chem.Biol., 4, 2008
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3EN6
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![BU of 3en6 by Molmil](/molmil-images/mine/3en6) | Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP102, a multitargeted kinase inhibitor | Descriptor: | 1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | Deposit date: | 2008-09-25 | Release date: | 2008-10-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat.Chem.Biol., 4, 2008
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3EN7
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![BU of 3en7 by Molmil](/molmil-images/mine/3en7) | Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with S1, a multitargeted kinase inhibitor | Descriptor: | 3-[4-AMINO-1-(1-METHYLETHYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL, Proto-oncogene tyrosine-protein kinase Src | Authors: | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | Deposit date: | 2008-09-25 | Release date: | 2008-10-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat.Chem.Biol., 4, 2008
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3EN4
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![BU of 3en4 by Molmil](/molmil-images/mine/3en4) | Targeted polypharmacology: crystal structure of the c-Src kinase domain in complex with PP121, a multitargeted kinase inhibitor | Descriptor: | 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Proto-oncogene tyrosine-protein kinase Src | Authors: | Blair, J.A, Apsel, B, Knight, Z.A, Shokat, K.M. | Deposit date: | 2008-09-25 | Release date: | 2008-10-14 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat.Chem.Biol., 4, 2008
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1HNI
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![BU of 1hni by Molmil](/molmil-images/mine/1hni) | STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN A COMPLEX WITH THE NONNUCLEOSIDE INHIBITOR ALPHA-APA R 95845 AT 2.8 ANGSTROMS RESOLUTION | Descriptor: | (2-ACETYL-5-METHYLANILINO)(2,6-DIBROMOPHENYL)ACETAMIDE, HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P51), HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P66) | Authors: | Ding, J, Das, K, Arnold, E. | Deposit date: | 1995-02-28 | Release date: | 1995-06-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of HIV-1 reverse transcriptase in a complex with the non-nucleoside inhibitor alpha-APA R 95845 at 2.8 A resolution. Structure, 3, 1995
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1HNV
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![BU of 1hnv by Molmil](/molmil-images/mine/1hnv) | STRUCTURE OF HIV-1 RT(SLASH)TIBO R 86183 COMPLEX REVEALS SIMILARITY IN THE BINDING OF DIVERSE NONNUCLEOSIDE INHIBITORS | Descriptor: | 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P51), HIV-1 REVERSE TRANSCRIPTASE (SUBUNIT P66) | Authors: | Das, K, Ding, J, Arnold, E. | Deposit date: | 1995-03-30 | Release date: | 1995-07-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of HIV-1 RT/TIBO R 86183 complex reveals similarity in the binding of diverse nonnucleoside inhibitors. Nat.Struct.Biol., 2, 1995
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1VRH
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![BU of 1vrh by Molmil](/molmil-images/mine/1vrh) | HRV14/SDZ 880-061 COMPLEX | Descriptor: | 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER, RHINOVIRUS 14 | Authors: | Oren, D.A, Zhang, A, Arnold, E. | Deposit date: | 1996-02-26 | Release date: | 1997-02-12 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Synthesis and activity of piperazine-containing antirhinoviral agents and crystal structure of SDZ 880-061 bound to human rhinovirus 14. J.Mol.Biol., 259, 1996
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1UWB
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![BU of 1uwb by Molmil](/molmil-images/mine/1uwb) | TYR 181 CYS HIV-1 RT/8-CL TIBO | Descriptor: | 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, REVERSE TRANSCRIPTASE | Authors: | Das, K, Ding, J, Hsiou, Y, Arnold, E. | Deposit date: | 1996-11-21 | Release date: | 1997-05-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant. J.Mol.Biol., 264, 1996
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2HUR
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![BU of 2hur by Molmil](/molmil-images/mine/2hur) | Escherichia coli nucleoside diphosphate kinase | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION | Authors: | Moynie, L, Giraud, M.-F, Georgescauld, F, Lascu, I, Dautant, A. | Deposit date: | 2006-07-27 | Release date: | 2007-04-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | The structure of the Escherichia coli nucleoside diphosphate kinase reveals a new quaternary architecture for this enzyme family Proteins, 67, 2007
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1U5T
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![BU of 1u5t by Molmil](/molmil-images/mine/1u5t) | Structure of the ESCRT-II endosomal trafficking complex | Descriptor: | Defective in vacuolar protein sorting; Vps36p, Hypothetical 23.6 kDa protein in YUH1-URA8 intergenic region, appears to be functionally related to SNF7; Snf8p | Authors: | Hierro, A, Sun, J, Rusnak, A.S, Kim, J, Prag, G, Emr, S.D, Hurley, J.H. | Deposit date: | 2004-07-28 | Release date: | 2004-09-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Structure of ESCRT-II endosomal trafficking complex Nature, 431, 2004
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1HRI
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![BU of 1hri by Molmil](/molmil-images/mine/1hri) | STRUCTURE DETERMINATION OF ANTIVIRAL COMPOUND SCH 38057 COMPLEXED WITH HUMAN RHINOVIRUS 14 | Descriptor: | 1-[6-(2-CHLORO-4-METHYXYPHENOXY)-HEXYL]-IMIDAZOLE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ... | Authors: | Zhang, A, Nanni, R.G, Oren, D.A, Arnold, E. | Deposit date: | 1992-10-01 | Release date: | 1993-10-31 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure determination of antiviral compound SCH 38057 complexed with human rhinovirus 14. J.Mol.Biol., 230, 1993
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1DLO
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![BU of 1dlo by Molmil](/molmil-images/mine/1dlo) | HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 | Descriptor: | HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 REVERSE TRANSCRIPTASE | Authors: | Hsiou, Y, Ding, J, Das, K, Hughes, S, Arnold, E. | Deposit date: | 1996-04-17 | Release date: | 1996-08-01 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of unliganded HIV-1 reverse transcriptase at 2.7 A resolution: implications of conformational changes for polymerization and inhibition mechanisms. Structure, 4, 1996
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1BQM
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![BU of 1bqm by Molmil](/molmil-images/mine/1bqm) | HIV-1 RT/HBY 097 | Descriptor: | (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, REVERSE TRANSCRIPTASE | Authors: | Hsiou, Y, Das, K, Ding, J, Arnold, E. | Deposit date: | 1998-08-17 | Release date: | 1999-01-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance. J.Mol.Biol., 284, 1998
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1BQN
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![BU of 1bqn by Molmil](/molmil-images/mine/1bqn) | TYR 188 LEU HIV-1 RT/HBY 097 | Descriptor: | (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE, REVERSE TRANSCRIPTASE | Authors: | Hsiou, Y, Das, K, Ding, J, Arnold, E. | Deposit date: | 1998-08-17 | Release date: | 1999-01-06 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structures of Tyr188Leu mutant and wild-type HIV-1 reverse transcriptase complexed with the non-nucleoside inhibitor HBY 097: inhibitor flexibility is a useful design feature for reducing drug resistance. J.Mol.Biol., 284, 1998
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1HRV
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![BU of 1hrv by Molmil](/molmil-images/mine/1hrv) | HRV14/SDZ 35-682 COMPLEX | Descriptor: | 1-[2-HYDROXY-3-(4-CYCLOHEXYL-PHENOXY)-PROPYL]-4-(2-PYRIDYL)-PIPERAZINE, HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP1), HUMAN RHINOVIRUS 14 COAT PROTEIN (SUBUNIT VP2), ... | Authors: | Oren, D.A, Zhang, A, Arnold, E. | Deposit date: | 1995-03-02 | Release date: | 1995-06-03 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | SDZ 35-682, a new picornavirus capsid-binding agent with potent antiviral activity. Antiviral Res., 26, 1995
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3ZTP
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![BU of 3ztp by Molmil](/molmil-images/mine/3ztp) | Orthorhombic crystal form P21212 of the Aquifex aeolicus nucleoside diphosphate kinase | Descriptor: | GLYCEROL, NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION | Authors: | Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A. | Deposit date: | 2011-07-12 | Release date: | 2012-03-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | An Intersubunit Disulfide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus. Proteins, 80, 2012
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3ZTQ
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![BU of 3ztq by Molmil](/molmil-images/mine/3ztq) | Hexagonal crystal form P61 of the Aquifex aeolicus nucleoside diphosphate kinase | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE | Authors: | Boissier, F, Georgescauld, F, Moynie, L, Dupuy, J.-W, Sarger, C, Podar, M, Lascu, I, Giraud, M.-F, Dautant, A. | Deposit date: | 2011-07-12 | Release date: | 2012-02-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | An Inter-Subunit Disulphide Bridge Stabilizes the Tetrameric Nucleoside Diphosphate Kinase of Aquifex Aeolicus Proteins, 80, 2012
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