6UJP
 
 | | P-glycoprotein mutant-F979A and C952A-with BDE100 | | Descriptor: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether, ATP-dependent translocase ABCB1 | | Authors: | Aller, S.G, Le, C.A. | | Deposit date: | 2019-10-03 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.98 Å) | | Cite: | Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein.
Iucrj, 7, 2020
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6UJZ
 | | HIV-1 wild-type reverse transcriptase-DNA complex with (+)-FTC-TP | | Descriptor: | MAGNESIUM ION, SULFATE ION, [[(2~{S},5~{R})-5-(4-azanyl-5-fluoranyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2019-10-03 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.55642557 Å) | | Cite: | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
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6UJN
 | | P-glycoprotein mutant-C952A-with BDE100 | | Descriptor: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether, ATP-dependent translocase ABCB1 | | Authors: | Aller, S.G, Le, C.A. | | Deposit date: | 2019-10-03 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.98 Å) | | Cite: | Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein.
Iucrj, 7, 2020
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6UJS
 | | P-glycoprotein mutant-F728A and C952A-with BDE100 | | Descriptor: | 2,4-dibromophenyl 2,4,6-tribromophenyl ether, ATP-dependent translocase ABCB1 | | Authors: | Aller, S.G, Le, C.A. | | Deposit date: | 2019-10-03 | | Release date: | 2020-05-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (4.17 Å) | | Cite: | Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein.
Iucrj, 7, 2020
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6UK1
 | | Crystal structure of nucleotide-binding domain 2 (NBD2) of the human Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION | | Authors: | Wang, C, Vorobiev, S.M, Vernon, R.M, Khazanov, N, Senderowitz, H, Forman-Kay, J.D, Hunt, J.F. | | Deposit date: | 2019-10-03 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.693 Å) | | Cite: | A thermodynamically stabilized form of the second nucleotide binding domain from human CFTR shows a catalytically inactive conformation
To Be Published
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6UK0
 | | HIV-1 M184V reverse transcriptase-DNA complex | | Descriptor: | MAGNESIUM ION, Primer DNA, SULFATE ION, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2019-10-03 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.75695229 Å) | | Cite: | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
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6L22
 | | Crystal structure of CK2a1 H115Y with hematein | | Descriptor: | (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, Casein kinase II subunit alpha | | Authors: | Tsuyuguchi, M, Kinoshita, T. | | Deposit date: | 2019-10-02 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.12318087 Å) | | Cite: | Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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6L23
 | | Crystal structure of CK2a1 V116I with hematein | | Descriptor: | (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, 1,2-ETHANEDIOL, Casein kinase II subunit alpha | | Authors: | Tsuyuguchi, M, Kinoshita, T. | | Deposit date: | 2019-10-02 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.97449422 Å) | | Cite: | Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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6T0B
 | | The III2-IV(5B)2 respiratory supercomplex from S. cerevisiae | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE, CALCIUM ION, CARDIOLIPIN, ... | | Authors: | Marechal, A, Pinotsis, N, Hartley, A. | | Deposit date: | 2019-10-02 | | Release date: | 2020-04-22 | | Last modified: | 2020-05-06 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Rcf2 revealed in cryo-EM structures of hypoxic isoforms of mature mitochondrial III-IV supercomplexes.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6SZW
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6SZM
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2009 | | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine, AMMONIUM ION, ... | | Authors: | Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2019-10-02 | | Release date: | 2019-10-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Leveraging an Open Science Drug Discovery Model to Develop CNS-Penetrant ALK2 Inhibitors for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
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6UJA
 | | Integrin alpha-v beta-8 in complex with pro-TGF-beta1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Campbell, M.G, Cormier, A, Cheng, Y, Nishimura, S.L. | | Deposit date: | 2019-10-02 | | Release date: | 2020-02-05 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM Reveals Integrin-Mediated TGF-beta Activation without Release from Latent TGF-beta.
Cell, 180, 2020
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6UJ1
 | | BACE2 mutant in complex with a macrocyclic compound | | Descriptor: | (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide, Beta-secretase 2 | | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | | Deposit date: | 2019-10-02 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.
Acs Chem Neurosci, 12, 2021
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6L1Z
 | | Crystal structure of CK2a1 with hematein | | Descriptor: | (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, Casein Kinase 2 subunit alpha | | Authors: | Tsuyuguchi, M, Kinoshita, T. | | Deposit date: | 2019-10-02 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.90820944 Å) | | Cite: | Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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6L20
 | | Crystal structure of CK2a2 with hematein | | Descriptor: | (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, CHLORIDE ION, Casein kinase II subunit alpha' | | Authors: | Tsuyuguchi, M, Kinoshita, T. | | Deposit date: | 2019-10-02 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.08735132 Å) | | Cite: | Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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6L21
 | | Crystal structure of CK2a1 H160A with hematein | | Descriptor: | (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, Casein kinase II subunit alpha | | Authors: | Tsuyuguchi, M, Kinoshita, T. | | Deposit date: | 2019-10-02 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.05451775 Å) | | Cite: | Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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6L24
 | | Crystal structure of CK2a1 H115Y/V116I with hematein | | Descriptor: | (6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one, Casein kinase II subunit alpha | | Authors: | Tsuyuguchi, M, Kinoshita, T. | | Deposit date: | 2019-10-02 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.400095 Å) | | Cite: | Structural insights for producing CK2 alpha 1-specific inhibitors.
Bioorg.Med.Chem.Lett., 30, 2020
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6UIS
 | | HIV-1 M184V reverse transcriptase-DNA complex with dCTP | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Primer DNA, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2019-10-01 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.74833822 Å) | | Cite: | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
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6UJ0
 | | Unbound BACE2 mutant structure | | Descriptor: | Beta-secretase 2, unidentified polypeptide | | Authors: | Yen, Y.C, Ghosh, A.K, Mesecar, A.D. | | Deposit date: | 2019-10-01 | | Release date: | 2020-10-07 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A Structure-Based Discovery Platform for BACE2 and the Development of Selective BACE Inhibitors.
Acs Chem Neurosci, 12, 2021
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6UIR
 | | HIV-1 M184V reverse transcriptase-DNA complex with (-)-FTC-TP | | Descriptor: | MAGNESIUM ION, Primer DNA, SULFATE ION, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2019-10-01 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.63900113 Å) | | Cite: | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
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6UIO
 | | Crystal structure of mouse CRES (Cystatin-Related Epididymal Spermatogenic) | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Cystatin-8, ... | | Authors: | Dominguez, M.J, Cornwall, G.A, Hewetson, A, Sutton, R.B. | | Deposit date: | 2019-10-01 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Maturation of the functional mouse CRES amyloid from globular form.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6UIT
 | | HIV-1 wild-type reverse transcriptase-DNA complex with dCTP | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, DNA primer, DNA template, ... | | Authors: | Lansdon, E.B. | | Deposit date: | 2019-10-01 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.80607414 Å) | | Cite: | Elucidating molecular interactions ofL-nucleotides with HIV-1 reverse transcriptase and mechanism of M184V-caused drug resistance.
Commun Biol, 2, 2019
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6UIP
 | | DYRK1A Kinase Domain in Complex with a 6-azaindole Derivative, GNF2133. | | Descriptor: | 4-ethyl-N-{4-[1-(oxan-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]pyridin-2-yl}piperazine-1-carboxamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A | | Authors: | DiDonato, M, Spraggon, G. | | Deposit date: | 2019-10-01 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (3.7 Å) | | Cite: | Selective DYRK1A Inhibitor for the Treatment of Type 1 Diabetes: Discovery of 6-Azaindole Derivative GNF2133.
J.Med.Chem., 63, 2020
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6L1Y
 | | structure of gp120/CD4 with a non-canonical surface | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, T-cell surface glycoprotein CD4, ... | | Authors: | Liu, X, Ning, W. | | Deposit date: | 2019-10-01 | | Release date: | 2020-05-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.469 Å) | | Cite: | A non-canonical binding interface in the crystal structure of HIV-1 gp120 core in complex with CD4.
Sci Rep, 7, 2017
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6UI4
 | | Crystal structure of phenamacril-bound F. graminearum myosin I | | Descriptor: | Calmodulin, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Zhou, Y, Zhou, X.E, Gong, Y, Zhu, Y, Xu, H.E, Zhou, M, Melcher, K, Zhang, F. | | Deposit date: | 2019-09-30 | | Release date: | 2020-03-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis of Fusarium myosin I inhibition by phenamacril.
Plos Pathog., 16, 2020
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