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6N86
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RESISTANCE TO INHIBITORS OF CHOLINESTERASE 8A (RIC8A) PROTEIN
Descriptor:Synembryn-A
Authors:Srivastava, D., Gakhar, L., Artemyev, N.O.
Deposit date:2018-11-28
Release date:2019-07-10
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Structural underpinnings of Ric8A function as a G-protein alpha-subunit chaperone and guanine-nucleotide exchange factor
Nat Commun, 2019
6NJY
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TYPE IV CRISPR ASSOCIATED RNA ENDONUCLEASE CAS6 - APO FORM
Descriptor:Type IV CRISPR associated Cas6 RNA endonuclease, SULFATE ION, BETA-D-GLUCOSE
Authors:Jackson, R.N., Warner, E., Olsen, K.J.
Deposit date:2019-01-04
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural basis of Type IV CRISPR RNA biogenesis by a Cas6 endoribonuclease.
Rna Biol., 2019
6NNG
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TUBULIN-RB3_SLD-TTL IN COMPLEX WITH COMPOUND DJ95
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
Authors:Kumar, G., Wang, Y., Li, W., White, S.W.
Deposit date:2019-01-15
Release date:2019-07-10
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Colchicine Binding Site Agent DJ95 Overcomes Drug Resistance and Exhibits Antitumor Efficacy.
Mol.Pharmacol., 96, 2019
6NT2
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TYPE 1 PRMT IN COMPLEX WITH THE INHIBITOR GSK3368715
Descriptor:Protein arginine N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine, ...
Authors:Concha, N.O.
Deposit date:2019-01-28
Release date:2019-07-10
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Anti-tumor Activity of the Type I PRMT Inhibitor, GSK3368715, Synergizes with PRMT5 Inhibition through MTAP Loss.
Cancer Cell, 2019
6NVG
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FGFR4 COMPLEX WITH N-(3,5-DICHLORO-2-((5-((2,6-DICHLORO-3,5-DIMETHOXYBENZYL)OXY)PYRIMIDIN-2-YL)AMINO)PHENYL)ACRYLAMIDE
Descriptor:Fibroblast growth factor receptor 4, SULFATE ION, N-[3,5-dichloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)phenyl]propanamide
Authors:Lin, X., Smaill, J.B., Squire, C.J., Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Rotational freedom, steric hindrance and protein dynamics explain BLU554 selectivity for the hinge cysteine of FGFR4
Acs Med.Chem.Lett., 2019
6NVH
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FGFR4 COMPLEX WITH N-(2-((5-((2,6-DICHLORO-3,5-DIMETHOXYBENZYL)OXY)PYRIMIDIN-2-YL)AMINO)-3-METHYLPHENYL)ACRYLAMIDE
Descriptor:Fibroblast growth factor receptor 4, SULFATE ION, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide
Authors:Lin, X., Smaill, J.B., Squire, C.J.
Deposit date:2019-02-05
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rotational freedom, steric hindrance and protein dynamics explain BLU554 selectivity for the hinge cysteine of FGFR4
Acs Med.Chem.Lett., 2019
6NVI
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FGFR4 COMPLEX WITH N-(3-CHLORO-2-((5-((2,6-DICHLORO-3,5-DIMETHOXYBENZYL)OXY)PYRIMIDIN-2-YL)AMINO)-5-FLUOROPHENYL)ACRYLAMIDE
Descriptor:Fibroblast growth factor receptor 4, N-[3-chloro-2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-5-fluorophenyl]propanamide, SULFATE ION
Authors:Lin, X., Smaill, J.B., Squire, C.J., Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Method:X-RAY DIFFRACTION (2.117 Å)
Cite:Rotational freedom, steric hindrance and protein dynamics explain BLU554 selectivity for the hinge cysteine of FGFR4
Acs Med.Chem.Lett., 2019
6NVJ
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FGFR4 COMPLEX WITH N-(2-((5-((2,6-DICHLORO-3,5-DIMETHOXYBENZYL)OXY)PYRIMIDIN-2-YL)AMINO)-3-FLUOROPHENYL)ACRYLAMIDE
Descriptor:Fibroblast growth factor receptor 4, SULFATE ION, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide
Authors:Lin, X., Smaill, J.B., Squire, C.J., Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rotational freedom, steric hindrance and protein dynamics explain BLU554 selectivity for the hinge cysteine of FGFR4
Acs Med.Chem.Lett., 2019
6NVK
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FGFR4 COMPLEX WITH BLU-554, N-((3S,4S)-3-((6-(2,6-DICHLORO-3,5-DIMETHOXYPHENYL)QUINAZOLIN-2-YL)AMINO)TETRAHYDRO-2H-PYRAN-4-YL)ACRYLAMIDE
Descriptor:Fibroblast growth factor receptor 4, SULFATE ION, N-[(3S,4S)-3-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}oxan-4-yl]propanamide
Authors:Lin, X., Smaill, J.B., Squire, C.J., Yosaatmadja, Y.
Deposit date:2019-02-05
Release date:2019-07-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rotational freedom, steric hindrance and protein dynamics explain BLU554 selectivity for the hinge cysteine of FGFR4
Acs Med.Chem.Lett., 2019
6NVL
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FGFR1 COMPLEX WITH N-(2-((5-((2,6-DICHLORO-3,5-DIMETHOXYBENZYL)OXY)PYRIMIDIN-2-YL)AMINO)-3-METHYLPHENYL)ACRYLAMIDE
Descriptor:Fibroblast growth factor receptor 1, SULFATE ION, N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide
Authors:Lin, X., Smaill, J.B., Squire, C.J.
Deposit date:2019-02-05
Release date:2019-07-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Rotational freedom, steric hindrance and protein dynamics explain BLU554 selectivity for the hinge cysteine of FGFR4
Acs Med.Chem.Lett., 2019
6NWS
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RORGAMMA LIGAND BINDING DOMAIN
Descriptor:Nuclear receptor ROR-gamma, 2-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide
Authors:Strutzenberg, T.S., Park, H.J., Griffin, P.R.
Deposit date:2019-02-07
Release date:2019-07-10
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists.
Elife, 8, 2019
6NWT
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RORGAMMA LIGAND BINDING DOMAIN
Descriptor:Nuclear receptor ROR-gamma, 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol
Authors:Strutzenberg, T.S., Park, H., Griffin, P.R.
Deposit date:2019-02-07
Release date:2019-07-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists.
Elife, 8, 2019
6NWU
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RORGAMMA LIGAND BINDING DOMAIN
Descriptor:Nuclear receptor ROR-gamma, 6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indole
Authors:Strutzenberg, T.S., Park, H., Griffin, P.R.
Deposit date:2019-02-07
Release date:2019-07-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:HDX-MS reveals structural determinants for ROR gamma hyperactivation by synthetic agonists.
Elife, 8, 2019
6NZT
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CRYSTAL STRUCTURE OF HCV NS3/4A PROTEASE IN COMPLEX WITH VOXILAPREVIR
Descriptor:HCV NS3/4A protease, Voxilaprevir, ZINC ION, ...
Authors:Appleby, T.C., Taylor, J.G.
Deposit date:2019-02-14
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 2019
6NZV
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CRYSTAL STRUCTURE OF HCV NS3/4A PROTEASE IN COMPLEX WITH COMPOUND 12
Descriptor:HCV NS3/4A protease, (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, ZINC ION, ...
Authors:Appleby, T.C., Taylor, J.G.
Deposit date:2019-02-14
Release date:2019-07-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 2019
6O0D
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SAXIPHILIN APO STRUCTURE
Descriptor:Saxiphilin
Authors:Yen, T.J., Lolicato, M., Minor, D.L.
Deposit date:2019-02-16
Release date:2019-07-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the saxiphilin:saxitoxin (STX) complex reveals a convergent molecular recognition strategy for paralytic toxins.
Sci Adv, 5, 2019
6O0E
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SAXIPHILIN:STX COMPLEX, SOAKING
Descriptor:Saxiphilin, [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Authors:Yen, T.J., Lolicato, M., Minor, D.L.
Deposit date:2019-02-16
Release date:2019-07-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of the saxiphilin:saxitoxin (STX) complex reveals a convergent molecular recognition strategy for paralytic toxins.
Sci Adv, 5, 2019
6O0F
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SAXIPHILIN:STX COMPLEX, CO-CRYSTAL
Descriptor:Saxiphilin, [(3aS,4R,10aS)-2,6-diamino-10,10-dihydroxy-3a,4,9,10-tetrahydro-3H,8H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
Authors:Yen, T.J., Lolicato, M., Minor, D.L.
Deposit date:2019-02-16
Release date:2019-07-10
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structure of the saxiphilin:saxitoxin (STX) complex reveals a convergent molecular recognition strategy for paralytic toxins.
Sci Adv, 5, 2019
6O0X
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CONFORMATIONAL STATES OF CAS9-SGRNA-DNA TERNARY COMPLEX IN THE PRESENCE OF MAGNESIUM
Descriptor:CRISPR-associated endonuclease Cas9/Csn1, single guide RNA, 5' product of target strand DNA, ...
Authors:Zhu, X., Clarke, R., Puppala, A.K., Chittori, S., Merk, A., Merrill, B.J., Simonovic, M., Subramaniam, S.
Deposit date:2019-02-17
Release date:2019-07-10
Method:ELECTRON MICROSCOPY (3.28 Å)
Cite:Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9
Nat.Struct.Mol.Biol., 2019
6O0Y
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CONFORMATIONAL STATES OF CAS9-SGRNA-DNA TERNARY COMPLEX IN THE PRESENCE OF MAGNESIUM
Descriptor:CRISPR-associated endonuclease Cas9/Csn1, single guide RNA, 5' product of target strand DNA, ...
Authors:Zhu, X., Clarke, R., Puppala, A.K., Chittori, S., Merk, A., Merrill, B.J., Simonovic, M., Subramaniam, S.
Deposit date:2019-02-17
Release date:2019-07-10
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9
Nat.Struct.Mol.Biol., 2019
6O0Z
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CONFORMATIONAL STATES OF CAS9-SGRNA-DNA TERNARY COMPLEX IN THE PRESENCE OF MAGNESIUM
Descriptor:CRISPR-associated endonuclease Cas9/Csn1, single guide RNA, target strand DNA, ...
Authors:Zhu, X., Clarke, R., Puppala, A.K., Chittori, S., Merk, A., Merrill, B.J., Simonovic, M., Subramaniam, S.
Deposit date:2019-02-17
Release date:2019-07-10
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9
Nat.Struct.Mol.Biol., 2019
6O1O
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CRYO-EM STRUCTURE OF THE T. THERMOPHILUS CSM COMPLEX BOUND TO TARGET SSRNA
Descriptor:Csm1, Csm4, Csm3, ...
Authors:Liu, J.J., Liu, T.Y.
Deposit date:2019-02-21
Release date:2019-07-10
Last modified:2019-07-17
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Target preference of Type III-A CRISPR-Cas complexes at the transcription bubble.
Nat Commun, 10, 2019
6O3O
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STRUCTURE OF HUMAN DNAM-1 (CD226) BOUND TO NECTIN-LIKE PROTEIN-5 (NECL-5)
Descriptor:CD226 antigen, Poliovirus receptor, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Deuss, F.A., Watson, G.M., Rossjohn, J., Berry, R.
Deposit date:2019-02-27
Release date:2019-07-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for the recognition of nectin-like protein-5 by the human activating immune receptor, DNAM-1.
J.Biol.Chem., 2019
6O43
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CRYSTAL STRUCTURE OF A LYSIN PROTEIN FROM STAPHYLOCOCCUS PHAGE P68
Descriptor:Orf11, 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid
Authors:Truong, J.Q.
Deposit date:2019-02-27
Release date:2019-07-10
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.08223 Å)
Cite:Combining random microseed matrix screening and the magic triangle for the efficient structure solution of a potential lysin from bacteriophage P68
Acta Crystallogr.,Sect.D, 2019
6O5M
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TUBULIN-RB3_SLD-TTL IN COMPLEX WITH COMPOUND 10BB
Descriptor:Tubulin alpha-1B chain, Tubulin beta-2B chain, Stathmin-4, ...
Authors:Kumar, G., Wang, Y., Li, W., White, S.W.
Deposit date:2019-03-04
Release date:2019-07-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure guided design, synthesis, and biological evaluation of 2-(1H-Indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphenyl) Methanone (ABI-231) analogs targeting the colchicine binding site in tubulin.
J.Med.Chem., 2019